smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]c1nnc(C2CCOCC2)s1)c1cnc(-c2ccccc2Br)s1 ZINC001436539054 1065350554 /nfs/dbraw/zinc/35/05/54/1065350554.db2.gz NXLICUGWZQAOIM-UHFFFAOYSA-N -1 1 451.371 4.570 20 0 JJADMM COc1ccccc1-c1cc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)no1 ZINC001360503660 1065432317 /nfs/dbraw/zinc/43/23/17/1065432317.db2.gz MYGQLSQOVBIYQN-UHFFFAOYSA-N -1 1 457.309 4.884 20 0 JJADMM Cc1cscc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001545920550 1065791541 /nfs/dbraw/zinc/79/15/41/1065791541.db2.gz NNSCPENDFUHBPD-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[n-]1 ZINC001439225572 1065801419 /nfs/dbraw/zinc/80/14/19/1065801419.db2.gz ITXVVXQSFMWCLB-UHFFFAOYSA-N -1 1 452.319 4.615 20 0 JJADMM Cc1ccc(NC(=O)C[C@@H]2Cc3ccccc3O2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384378 1065936174 /nfs/dbraw/zinc/93/61/74/1065936174.db2.gz JOPVUBQRDCLZHQ-FQEVSTJZSA-N -1 1 456.951 4.782 20 0 JJADMM C/C=C(\CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001440410559 1065938954 /nfs/dbraw/zinc/93/89/54/1065938954.db2.gz DARZNKWPXDSSTN-YIXHJXPBSA-N -1 1 453.358 4.553 20 0 JJADMM CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1C ZINC001440483277 1065943101 /nfs/dbraw/zinc/94/31/01/1065943101.db2.gz PSXZHOABVGNFBH-UHFFFAOYSA-N -1 1 451.470 4.888 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1CCN(c2ccccc2)C1 ZINC001440494578 1065943972 /nfs/dbraw/zinc/94/39/72/1065943972.db2.gz AQKNLSDOMOPMEX-QGZVFWFLSA-N -1 1 455.967 4.606 20 0 JJADMM CCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCOCC1 ZINC001440518954 1065946643 /nfs/dbraw/zinc/94/66/43/1065946643.db2.gz IAHMZCORQPXZNX-UHFFFAOYSA-N -1 1 456.486 4.652 20 0 JJADMM COc1ccsc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001440524542 1065947674 /nfs/dbraw/zinc/94/76/74/1065947674.db2.gz ZRHINNSWVCYZCL-UHFFFAOYSA-N -1 1 456.467 4.829 20 0 JJADMM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC001440574475 1065951482 /nfs/dbraw/zinc/95/14/82/1065951482.db2.gz AAAKQTBVJRHGKC-INIZCTEOSA-N -1 1 459.593 4.911 20 0 JJADMM COc1cccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1F ZINC001440577032 1065951904 /nfs/dbraw/zinc/95/19/04/1065951904.db2.gz RRERPZUFDDJHBU-UHFFFAOYSA-N -1 1 456.539 4.823 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCCOc3ccccc3)ccc2C)cc1 ZINC001440618294 1065955198 /nfs/dbraw/zinc/95/51/98/1065955198.db2.gz OAARTBCLZFMUQG-UHFFFAOYSA-N -1 1 452.576 4.645 20 0 JJADMM Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001440647994 1065957900 /nfs/dbraw/zinc/95/79/00/1065957900.db2.gz NMPINCFKQLQEGH-UHFFFAOYSA-N -1 1 458.580 4.598 20 0 JJADMM Cc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c(C)c1 ZINC001440653011 1065959043 /nfs/dbraw/zinc/95/90/43/1065959043.db2.gz NXYNTSHOUJBDGB-UHFFFAOYSA-N -1 1 454.567 4.914 20 0 JJADMM Nc1c(Cl)c(Cl)ccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001440735202 1065972725 /nfs/dbraw/zinc/97/27/25/1065972725.db2.gz ARMGFHNBXNLIRK-UHFFFAOYSA-N -1 1 454.310 4.768 20 0 JJADMM O=C(NCc1c(F)cccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001441117179 1066008855 /nfs/dbraw/zinc/00/88/55/1066008855.db2.gz NITHMHSOUSCCKK-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])c(C)c1 ZINC001441219358 1066016392 /nfs/dbraw/zinc/01/63/92/1066016392.db2.gz JAQDOXSPHVXRDL-UHFFFAOYSA-N -1 1 453.336 4.954 20 0 JJADMM CC(=O)c1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1OC(C)C ZINC001441346105 1066031286 /nfs/dbraw/zinc/03/12/86/1066031286.db2.gz HFCODXHKQVTSAO-UHFFFAOYSA-N -1 1 452.532 4.730 20 0 JJADMM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC001441349411 1066031644 /nfs/dbraw/zinc/03/16/44/1066031644.db2.gz QXKWONOZEOFPTF-FBMGVBCBSA-N -1 1 450.560 4.932 20 0 JJADMM Cc1ccc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441353756 1066032381 /nfs/dbraw/zinc/03/23/81/1066032381.db2.gz PGTZJVDQLQKNJC-MRXNPFEDSA-N -1 1 454.573 4.631 20 0 JJADMM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001441387971 1066036551 /nfs/dbraw/zinc/03/65/51/1066036551.db2.gz BTEWGDKRZWCVEA-NRFANRHFSA-N -1 1 452.523 4.832 20 0 JJADMM C[C@]1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCc2ccccc2C1 ZINC001441388007 1066036742 /nfs/dbraw/zinc/03/67/42/1066036742.db2.gz CARPNAZQCUNJQM-DEOSSOPVSA-N -1 1 456.514 4.899 20 0 JJADMM CC(C)(C)OC(=O)[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCC1 ZINC001441408839 1066038969 /nfs/dbraw/zinc/03/89/69/1066038969.db2.gz WKTFJBKFCCYGIM-NRFANRHFSA-N -1 1 458.580 4.574 20 0 JJADMM O=C(NCc1ccc(COc2ccccc2)cc1)c1ccc(I)cc1[O-] ZINC001441427121 1066040867 /nfs/dbraw/zinc/04/08/67/1066040867.db2.gz KMIKYBGCBMJSCT-UHFFFAOYSA-N -1 1 459.283 4.506 20 0 JJADMM O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC001441567630 1066051715 /nfs/dbraw/zinc/05/17/15/1066051715.db2.gz YHZAJTLPCSEGFI-LJQANCHMSA-N -1 1 454.299 4.815 20 0 JJADMM COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)c3ccc(C(C)C)cc3[O-])cc2)cc1 ZINC001441573569 1066052026 /nfs/dbraw/zinc/05/20/26/1066052026.db2.gz RXEFXJSCBUGPKZ-UHFFFAOYSA-N -1 1 454.548 4.718 20 0 JJADMM CC(C)(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)no1 ZINC001441880023 1066076701 /nfs/dbraw/zinc/07/67/01/1066076701.db2.gz DUVQQVZHRUKNSD-UHFFFAOYSA-N -1 1 451.907 4.818 20 0 JJADMM Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)c(Cl)c4)cc3)cc2o1 ZINC001441883373 1066077378 /nfs/dbraw/zinc/07/73/78/1066077378.db2.gz KSDVOJXHVUGDGO-UHFFFAOYSA-N -1 1 459.886 4.982 20 0 JJADMM Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC001442113549 1066096111 /nfs/dbraw/zinc/09/61/11/1066096111.db2.gz OZQFFSQWDGXRCM-UHFFFAOYSA-N -1 1 459.544 4.607 20 0 JJADMM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001442393661 1066123574 /nfs/dbraw/zinc/12/35/74/1066123574.db2.gz HYKYKLPEFOJVBD-HXUWFJFHSA-N -1 1 452.576 4.610 20 0 JJADMM Cc1c(Cn2c(N3CCC(C(=O)c4ccc([O-])cc4)CC3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001360978997 1066137637 /nfs/dbraw/zinc/13/76/37/1066137637.db2.gz HSRGVZWCZAMXCF-UHFFFAOYSA-N -1 1 478.641 4.590 20 0 JJADMM Cc1c(Cl)cccc1Cn1c(CC2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001360982884 1066143113 /nfs/dbraw/zinc/14/31/13/1066143113.db2.gz XYAJNPLTSGQEMM-UHFFFAOYSA-N -1 1 497.993 4.916 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc2)cc1 ZINC001453988624 1066230768 /nfs/dbraw/zinc/23/07/68/1066230768.db2.gz NNLGWMQHODELGG-UHFFFAOYSA-N -1 1 458.502 4.595 20 0 JJADMM CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)nc1C ZINC001454000389 1066231894 /nfs/dbraw/zinc/23/18/94/1066231894.db2.gz WZLWVZFNIRBATB-UHFFFAOYSA-N -1 1 459.955 4.804 20 0 JJADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001442869543 1066234478 /nfs/dbraw/zinc/23/44/78/1066234478.db2.gz JSNMIMCLCJODJY-UHFFFAOYSA-N -1 1 456.514 4.617 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1(Cc2cccc(Cl)c2)CC1 ZINC001442987487 1066250654 /nfs/dbraw/zinc/25/06/54/1066250654.db2.gz MHPRTJUFPOADNN-UHFFFAOYSA-N -1 1 454.979 4.780 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001443025148 1066256385 /nfs/dbraw/zinc/25/63/85/1066256385.db2.gz YUGNHNXXDHLWRY-IRLDBZIGSA-N -1 1 456.514 4.528 20 0 JJADMM Cc1cccc(COc2cccc(C(=O)N3CCN(Cc4ccc([O-])c(Cl)c4)CC3)c2)c1 ZINC001454456257 1066284398 /nfs/dbraw/zinc/28/43/98/1066284398.db2.gz XTVGPZSVLZUTQT-UHFFFAOYSA-N -1 1 450.966 4.891 20 0 JJADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001454462283 1066285707 /nfs/dbraw/zinc/28/57/07/1066285707.db2.gz OJFREOMOBJNASK-LAUBAEHRSA-N -1 1 480.895 4.844 20 0 JJADMM O=C(c1ccc(I)c([O-])c1)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC001454626837 1066311458 /nfs/dbraw/zinc/31/14/58/1066311458.db2.gz SVHXEHLNJZXOKD-SFHVURJKSA-N -1 1 455.295 4.811 20 0 JJADMM O=C([N-]CC[C@@H]1CN(C(=O)c2cc3c(ccnc3Cl)s2)c2ccccc21)C(F)(F)F ZINC001454939734 1066343696 /nfs/dbraw/zinc/34/36/96/1066343696.db2.gz YKYHNVQHIZLFEI-LLVKDONJSA-N -1 1 453.873 4.762 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccc(Cl)c(C)c4C3)c2)cc1 ZINC001455032449 1066354861 /nfs/dbraw/zinc/35/48/61/1066354861.db2.gz FAJRJDMKNNQTPO-UHFFFAOYSA-N -1 1 454.979 4.956 20 0 JJADMM O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001455148009 1066365577 /nfs/dbraw/zinc/36/55/77/1066365577.db2.gz YSKVRIMRFKLGAZ-UHFFFAOYSA-N -1 1 453.539 4.869 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(O)c(C(C)C)c3)cc2)cc1 ZINC001455164107 1066366757 /nfs/dbraw/zinc/36/67/57/1066366757.db2.gz BFXUHBGOGAPUTL-UHFFFAOYSA-N -1 1 452.532 4.771 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(OCC(C)C)nc3)cc2)cc1C ZINC001443853685 1066377139 /nfs/dbraw/zinc/37/71/39/1066377139.db2.gz YODKVVKQTGURQK-UHFFFAOYSA-N -1 1 453.564 4.786 20 0 JJADMM C[C@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@@H]1c1ccccc1 ZINC001444070688 1066399469 /nfs/dbraw/zinc/39/94/69/1066399469.db2.gz PIKOSEDMABXYRB-ACJLOTCBSA-N -1 1 454.470 4.822 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)c2)c1 ZINC001455531265 1066404822 /nfs/dbraw/zinc/40/48/22/1066404822.db2.gz HSIGWSZZDOFNIN-FGZHOGPDSA-N -1 1 456.514 4.575 20 0 JJADMM COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1C ZINC001455543817 1066408617 /nfs/dbraw/zinc/40/86/17/1066408617.db2.gz DNSDTPNFXLJZJY-IBGZPJMESA-N -1 1 452.576 4.912 20 0 JJADMM C[C@H](NC(=O)c1ccc(I)cc1[O-])c1cc(Cl)cc(Cl)c1F ZINC001455543423 1066408702 /nfs/dbraw/zinc/40/87/02/1066408702.db2.gz CCVDIZDEFXTKMI-ZETCQYMHSA-N -1 1 454.066 4.934 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4c(C)nccc34)cc2)cc1 ZINC001455623395 1066416469 /nfs/dbraw/zinc/41/64/69/1066416469.db2.gz ZWLNIUBIAUPGSJ-UHFFFAOYSA-N -1 1 459.527 4.799 20 0 JJADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1c1ccccc1 ZINC001455646274 1066419045 /nfs/dbraw/zinc/41/90/45/1066419045.db2.gz CZDBPMXKJAAESW-HJPURHCSSA-N -1 1 456.514 4.989 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](c3ncccc3C)C(C)C)cc2)c1 ZINC001444212356 1066429969 /nfs/dbraw/zinc/42/99/69/1066429969.db2.gz UAFCPZYEFRHUNO-HSZRJFAPSA-N -1 1 451.592 4.935 20 0 JJADMM Cc1ccc(C)c(OCc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CCC2(C)CC2)c1 ZINC001361155087 1066452607 /nfs/dbraw/zinc/45/26/07/1066452607.db2.gz KSISUQJZZFUIKR-UHFFFAOYSA-N -1 1 493.574 4.559 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C)(C)c3cccc(C)c3)cc2)cc1 ZINC001444471922 1066463860 /nfs/dbraw/zinc/46/38/60/1066463860.db2.gz YSIKKPYDHNHVMA-UHFFFAOYSA-N -1 1 452.576 4.860 20 0 JJADMM Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4cccc(C)c4C)cc3)sc2n1 ZINC001455977036 1066465116 /nfs/dbraw/zinc/46/51/16/1066465116.db2.gz LOJIIUIAZPXEML-UHFFFAOYSA-N -1 1 452.561 4.670 20 0 JJADMM Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)sc2n1 ZINC001455976824 1066465239 /nfs/dbraw/zinc/46/52/39/1066465239.db2.gz JIUKBCGKINCXPL-UHFFFAOYSA-N -1 1 452.561 4.670 20 0 JJADMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444493148 1066466679 /nfs/dbraw/zinc/46/66/79/1066466679.db2.gz XEVGTROXPMLSMC-NTKDMRAZSA-N -1 1 452.551 4.768 20 0 JJADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444493129 1066466763 /nfs/dbraw/zinc/46/67/63/1066466763.db2.gz XEVGTROXPMLSMC-CYFREDJKSA-N -1 1 452.551 4.768 20 0 JJADMM CON(C[C@@H]1CCCc2ccccc21)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001455984611 1066467056 /nfs/dbraw/zinc/46/70/56/1066467056.db2.gz WKNCIBGRTDUYJI-NRFANRHFSA-N -1 1 450.560 4.611 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C4CCCC4)[nH]n3)cc2)cc1 ZINC001444618476 1066484691 /nfs/dbraw/zinc/48/46/91/1066484691.db2.gz MLNGGSIYSOVEIK-UHFFFAOYSA-N -1 1 454.552 4.519 20 0 JJADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811406 1066508185 /nfs/dbraw/zinc/50/81/85/1066508185.db2.gz NYKHMXYHRPICBU-RBUKOAKNSA-N -1 1 450.601 4.681 20 0 JJADMM CC(C)c1nc(C(=O)NCCc2c(F)cc([O-])cc2F)nn1-c1c(Cl)cccc1Cl ZINC001456197195 1066534711 /nfs/dbraw/zinc/53/47/11/1066534711.db2.gz PUWCACPAZOVDNR-UHFFFAOYSA-N -1 1 455.292 4.654 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445164701 1066541699 /nfs/dbraw/zinc/54/16/99/1066541699.db2.gz PKZMMLBHHJOFRE-RBUKOAKNSA-N -1 1 452.576 4.808 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445164707 1066541927 /nfs/dbraw/zinc/54/19/27/1066541927.db2.gz PKZMMLBHHJOFRE-RTBURBONSA-N -1 1 452.576 4.808 20 0 JJADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445175636 1066543395 /nfs/dbraw/zinc/54/33/95/1066543395.db2.gz ILLQAFBDSWWJFP-CMJOXMDJSA-N -1 1 456.514 4.819 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC3(C)C)c2)cc1 ZINC001445188674 1066544191 /nfs/dbraw/zinc/54/41/91/1066544191.db2.gz UQZSORNRPUDCDG-HXUWFJFHSA-N -1 1 450.988 4.848 20 0 JJADMM COc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1F ZINC001445221420 1066546531 /nfs/dbraw/zinc/54/65/31/1066546531.db2.gz LUOUXUOKICGSLE-QGZVFWFLSA-N -1 1 456.539 4.743 20 0 JJADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(-c3ccccc3)s2)C2CCCCC2)co1 ZINC001445222379 1066547106 /nfs/dbraw/zinc/54/71/06/1066547106.db2.gz NIQLBAKPZOXREX-UHFFFAOYSA-N -1 1 458.605 4.891 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4c(F)ccc(F)c4C3)cc2)c1 ZINC001445229748 1066547697 /nfs/dbraw/zinc/54/76/97/1066547697.db2.gz JUUJMZSKJPZKPY-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4F)C3)c2)c1 ZINC001456292996 1066556735 /nfs/dbraw/zinc/55/67/35/1066556735.db2.gz JHWWGUSPSRIGBC-IRJFHVNHSA-N -1 1 456.514 4.750 20 0 JJADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445429436 1066570335 /nfs/dbraw/zinc/57/03/35/1066570335.db2.gz JYWDUKSVEJPQLT-PMACEKPBSA-N -1 1 450.601 4.729 20 0 JJADMM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001456566128 1066627083 /nfs/dbraw/zinc/62/70/83/1066627083.db2.gz FOKFEYUUEBLISC-QHCPKHFHSA-N -1 1 458.580 4.925 20 0 JJADMM Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001445971725 1066641163 /nfs/dbraw/zinc/64/11/63/1066641163.db2.gz QCJAIIWYANMLIF-INIZCTEOSA-N -1 1 458.967 4.516 20 0 JJADMM O=C(CCc1ccc(Cl)s1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445994028 1066642573 /nfs/dbraw/zinc/64/25/73/1066642573.db2.gz GXLNYJAFNVKUQA-UHFFFAOYSA-N -1 1 452.960 4.590 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)ccc2C)cc1 ZINC001445998834 1066643163 /nfs/dbraw/zinc/64/31/63/1066643163.db2.gz IDAVDUBTOBUWCM-IBGZPJMESA-N -1 1 452.576 4.513 20 0 JJADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001446209182 1066675053 /nfs/dbraw/zinc/67/50/53/1066675053.db2.gz UNRRQNIKPDKYQG-UHFFFAOYSA-N -1 1 454.886 4.671 20 0 JJADMM Cc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001446292448 1066686163 /nfs/dbraw/zinc/68/61/63/1066686163.db2.gz OHFQVSNSQGTCAF-UHFFFAOYSA-N -1 1 454.979 4.737 20 0 JJADMM COc1cnc([C@@H]2CCCN2C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[n-]c1=O ZINC001456847796 1066705101 /nfs/dbraw/zinc/70/51/01/1066705101.db2.gz LYIGOMFXRJKWLD-AWEZNQCLSA-N -1 1 451.335 4.598 20 0 JJADMM COc1cc(Oc2ccccc2)ccc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001446519441 1066714195 /nfs/dbraw/zinc/71/41/95/1066714195.db2.gz YRPSGRJOGLEYPJ-UHFFFAOYSA-N -1 1 456.502 4.925 20 0 JJADMM COC1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])CCCCCC1 ZINC001446711327 1066732925 /nfs/dbraw/zinc/73/29/25/1066732925.db2.gz MWGBUQNMTMPEKL-UHFFFAOYSA-N -1 1 452.960 4.524 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001446731305 1066734858 /nfs/dbraw/zinc/73/48/58/1066734858.db2.gz HLFSHSZKFHWEQC-UHFFFAOYSA-N -1 1 458.923 4.531 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)n([C@@H](C)CC)n3)c2)cc1 ZINC001446826506 1066745773 /nfs/dbraw/zinc/74/57/73/1066745773.db2.gz ORBNTADXHKCYBQ-INIZCTEOSA-N -1 1 456.568 4.614 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)cc3c[nH]nc32)c1 ZINC001457045226 1066751196 /nfs/dbraw/zinc/75/11/96/1066751196.db2.gz COEVOGGJLQFCDB-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC001446881372 1066752792 /nfs/dbraw/zinc/75/27/92/1066752792.db2.gz WMWNMGUECYFCFJ-UHFFFAOYSA-N -1 1 452.511 4.557 20 0 JJADMM O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001447107216 1066774266 /nfs/dbraw/zinc/77/42/66/1066774266.db2.gz JLWOXDZLDNRAOW-UHFFFAOYSA-N -1 1 452.363 4.897 20 0 JJADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)c[nH]c1=O ZINC001447162905 1066779168 /nfs/dbraw/zinc/77/91/68/1066779168.db2.gz XLHZNGBUQYTNMT-UHFFFAOYSA-N -1 1 459.527 4.816 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196813 1066785649 /nfs/dbraw/zinc/78/56/49/1066785649.db2.gz BVFNKWMTNOMUCT-SFTDATJTSA-N -1 1 452.551 4.544 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)c2ccc(Br)cc2[O-])C1 ZINC001457196997 1066785695 /nfs/dbraw/zinc/78/56/95/1066785695.db2.gz DNIFMORCBRRZBX-OAQYLSRUSA-N -1 1 453.377 4.551 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC[C@H]1c1ccccc1 ZINC001447338054 1066795851 /nfs/dbraw/zinc/79/58/51/1066795851.db2.gz CYHPZXNXUBGPIR-DEOSSOPVSA-N -1 1 452.551 4.923 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCc4sccc43)cc2)cc1 ZINC001447346723 1066797040 /nfs/dbraw/zinc/79/70/40/1066797040.db2.gz MQRRUHCHTTUAHA-NRFANRHFSA-N -1 1 456.589 4.755 20 0 JJADMM CC(C)(C)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n[nH]1 ZINC001457248084 1066798310 /nfs/dbraw/zinc/79/83/10/1066798310.db2.gz WXIHPCRSAQZRRJ-UHFFFAOYSA-N -1 1 450.923 4.553 20 0 JJADMM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001447362148 1066798547 /nfs/dbraw/zinc/79/85/47/1066798547.db2.gz LBKPTBNSLFNHBV-UHFFFAOYSA-N -1 1 451.479 4.842 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C(F)(F)F)cc2)cc1 ZINC001457358242 1066815971 /nfs/dbraw/zinc/81/59/71/1066815971.db2.gz FDDBDYKBHIWNEJ-QRWLVFNGSA-N -1 1 470.513 4.689 20 0 JJADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(F)cc4)c3)C2)c1 ZINC001447636442 1066833861 /nfs/dbraw/zinc/83/38/61/1066833861.db2.gz WXAVYVNHCQGCQC-OAQYLSRUSA-N -1 1 452.551 4.873 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCC4(CCCCC4)O3)ccc2C)c1 ZINC001447714189 1066845706 /nfs/dbraw/zinc/84/57/06/1066845706.db2.gz AMFXEUFLGRTELO-JOCHJYFZSA-N -1 1 456.608 4.716 20 0 JJADMM CN(C(=O)c1cc(I)ccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC001447791302 1066858350 /nfs/dbraw/zinc/85/83/50/1066858350.db2.gz JROPZPWTEPEXNM-UHFFFAOYSA-N -1 1 459.283 4.852 20 0 JJADMM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)c1ccc(Cl)cn1 ZINC001447793092 1066859091 /nfs/dbraw/zinc/85/90/91/1066859091.db2.gz MWZXKXUOAWKCLC-CYBMUJFWSA-N -1 1 450.347 4.680 20 0 JJADMM Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC001546092367 1066876617 /nfs/dbraw/zinc/87/66/17/1066876617.db2.gz WTDDDFVSAAEWPJ-UHFFFAOYSA-N -1 1 456.365 4.533 20 0 JJADMM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nc(Br)ccc1[O-])C1CCCCCC1 ZINC001447928145 1066877341 /nfs/dbraw/zinc/87/73/41/1066877341.db2.gz VIFZPDXCBKCYQK-CQSZACIVSA-N -1 1 456.381 4.600 20 0 JJADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457753216 1066911960 /nfs/dbraw/zinc/91/19/60/1066911960.db2.gz YGBGSFIHJONPEU-KRWDZBQOSA-N -1 1 454.162 4.693 20 0 JJADMM C[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308565 1066917227 /nfs/dbraw/zinc/91/72/27/1066917227.db2.gz QJEUZRFHWYVRIJ-ZBFHGGJFSA-N -1 1 455.407 4.889 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cc(F)cc(C)c4C3)cc2)cc1C ZINC001448361922 1066920330 /nfs/dbraw/zinc/92/03/30/1066920330.db2.gz WJSVCPFTCJMAGZ-UHFFFAOYSA-N -1 1 452.551 4.750 20 0 JJADMM Cc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457806358 1066925067 /nfs/dbraw/zinc/92/50/67/1066925067.db2.gz MEJQAVDARQOQFI-UHFFFAOYSA-N -1 1 458.942 4.828 20 0 JJADMM CSC1(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)CCC1 ZINC001448520301 1066935976 /nfs/dbraw/zinc/93/59/76/1066935976.db2.gz UCDKGEFCGUXLHT-UHFFFAOYSA-N -1 1 459.420 4.810 20 0 JJADMM COc1ccccc1C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC001457893040 1066937767 /nfs/dbraw/zinc/93/77/67/1066937767.db2.gz IKHFCIBEKCAYSH-UHFFFAOYSA-N -1 1 456.951 4.569 20 0 JJADMM Cc1ccc(C(=O)N2CCSC(C)(C)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001448736391 1066955205 /nfs/dbraw/zinc/95/52/05/1066955205.db2.gz MXTZDEMOKVVXKT-UHFFFAOYSA-N -1 1 453.029 4.807 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(-c3ccon3)c2)c1 ZINC001458028929 1066958395 /nfs/dbraw/zinc/95/83/95/1066958395.db2.gz YPDIMIYVYBJJGL-UHFFFAOYSA-N -1 1 451.479 4.842 20 0 JJADMM CCOc1cc(C)ccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001545721211 1066975710 /nfs/dbraw/zinc/97/57/10/1066975710.db2.gz RTLIFZGHPUEJKD-UHFFFAOYSA-N -1 1 452.576 4.741 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001449001168 1066976530 /nfs/dbraw/zinc/97/65/30/1066976530.db2.gz OPRYCZXKFOAULH-UHFFFAOYSA-N -1 1 450.970 4.719 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(C)(C)OC[C@@H]3C)ccc2C)cc1 ZINC001449019225 1066977413 /nfs/dbraw/zinc/97/74/13/1066977413.db2.gz WPVMOICRPRTDRA-IBGZPJMESA-N -1 1 458.624 4.778 20 0 JJADMM O=C(NCc1ccc(OC2CCCC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001449315521 1066998859 /nfs/dbraw/zinc/99/88/59/1066998859.db2.gz KBYNMIWAFGDVFB-UHFFFAOYSA-N -1 1 450.560 4.739 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncc(OC)s3)ccc2C)cc1 ZINC001449403946 1067006950 /nfs/dbraw/zinc/00/69/50/1067006950.db2.gz XDYCOKYEGORPSP-UHFFFAOYSA-N -1 1 459.593 4.856 20 0 JJADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)c1 ZINC001449477132 1067010836 /nfs/dbraw/zinc/01/08/36/1067010836.db2.gz WBWDBXZIHQYOBP-UHFFFAOYSA-N -1 1 459.346 4.806 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)c2)c1 ZINC001449908668 1067036708 /nfs/dbraw/zinc/03/67/08/1067036708.db2.gz DRJMDSBFVJEXRR-XMSQKQJNSA-N -1 1 450.560 4.746 20 0 JJADMM CC[C@H](C)[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908071 1067036837 /nfs/dbraw/zinc/03/68/37/1067036837.db2.gz AYIRHNSGSSSJEU-DJJJIMSYSA-N -1 1 459.395 4.585 20 0 JJADMM CCCOc1c(Br)cc(C(=O)Nc2cccc([O-])c2Br)cc1OC ZINC001449931231 1067037758 /nfs/dbraw/zinc/03/77/58/1067037758.db2.gz DVJNTNVNUWYVOO-UHFFFAOYSA-N -1 1 459.134 4.967 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C)(C)[C@H]3c3ccncc3)c2)cc1F ZINC001450063977 1067046581 /nfs/dbraw/zinc/04/65/81/1067046581.db2.gz KHPCTUYXONHOSH-JOCHJYFZSA-N -1 1 453.539 4.553 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cc(C)ccn3)ccc2C)cc1 ZINC001450216379 1067060677 /nfs/dbraw/zinc/06/06/77/1067060677.db2.gz GNVYSFYEGPPAHF-UHFFFAOYSA-N -1 1 451.592 4.772 20 0 JJADMM CN(Cc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001450343356 1067071999 /nfs/dbraw/zinc/07/19/99/1067071999.db2.gz FVSFHMIPIRHPST-UHFFFAOYSA-N -1 1 450.894 4.691 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CC2(C1)CCCCC2 ZINC001450350482 1067072637 /nfs/dbraw/zinc/07/26/37/1067072637.db2.gz LHSUDFWDNJODOE-UHFFFAOYSA-N -1 1 452.498 4.913 20 0 JJADMM Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c(C2CCCCC2)n1 ZINC001450401663 1067076278 /nfs/dbraw/zinc/07/62/78/1067076278.db2.gz LIRPEESYYDCEIU-UHFFFAOYSA-N -1 1 454.477 4.956 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001450405521 1067077401 /nfs/dbraw/zinc/07/74/01/1067077401.db2.gz GQVPDLZWPZBKLT-MRXNPFEDSA-N -1 1 454.514 4.880 20 0 JJADMM [O-]c1ccc(CN2CCN(c3nc(C(F)(F)F)c(Br)s3)CC2)cc1Cl ZINC001458543715 1067085180 /nfs/dbraw/zinc/08/51/80/1067085180.db2.gz GQEPYRRFDGITBV-UHFFFAOYSA-N -1 1 456.715 4.606 20 0 JJADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001450589284 1067092422 /nfs/dbraw/zinc/09/24/22/1067092422.db2.gz NGAHPZUMKGVWDM-HOTGVXAUSA-N -1 1 452.523 4.596 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)c2)cc1 ZINC001450692280 1067103983 /nfs/dbraw/zinc/10/39/83/1067103983.db2.gz PXGFVLMCJGOBQU-KRWDZBQOSA-N -1 1 456.568 4.552 20 0 JJADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc1F)CCC2 ZINC001450696183 1067105224 /nfs/dbraw/zinc/10/52/24/1067105224.db2.gz UQDIDYUJKIYSOI-QHCPKHFHSA-N -1 1 456.514 4.881 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCO[C@H](CCC)C3)ccc2C)cc1 ZINC001545804436 1067116151 /nfs/dbraw/zinc/11/61/51/1067116151.db2.gz OKKFLFQOQVSZRF-HSZRJFAPSA-N -1 1 458.624 4.780 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(c4cccc(F)c4)CC3)cc2)cc1 ZINC001450853818 1067132515 /nfs/dbraw/zinc/13/25/15/1067132515.db2.gz XLBIJZNBXSHDBU-UHFFFAOYSA-N -1 1 452.551 4.955 20 0 JJADMM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)c1ccc(Cl)cc1 ZINC001451026510 1067140065 /nfs/dbraw/zinc/14/00/65/1067140065.db2.gz DGOSYOUFLIBOFK-CYBMUJFWSA-N -1 1 450.894 4.910 20 0 JJADMM CCCOc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c2)cc1 ZINC001545816735 1067146153 /nfs/dbraw/zinc/14/61/53/1067146153.db2.gz TYQBKDBMRWQVBP-UHFFFAOYSA-N -1 1 454.548 4.927 20 0 JJADMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001451496279 1067175242 /nfs/dbraw/zinc/17/52/42/1067175242.db2.gz ZRMJCTRKMMEBAA-MBSDFSHPSA-N -1 1 470.978 4.683 20 0 JJADMM COc1ccc(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001451682427 1067186393 /nfs/dbraw/zinc/18/63/93/1067186393.db2.gz DBKKZHYPLUKAPL-UHFFFAOYSA-N -1 1 456.539 4.938 20 0 JJADMM CCc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)nn1C ZINC001451882337 1067196566 /nfs/dbraw/zinc/19/65/66/1067196566.db2.gz ZWBZNYMWPOUOCR-UHFFFAOYSA-N -1 1 454.596 4.578 20 0 JJADMM Cc1ccccc1C[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105320 1067217797 /nfs/dbraw/zinc/21/77/97/1067217797.db2.gz DBIJMBXREFMSOU-INIZCTEOSA-N -1 1 458.967 4.972 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)c3ccsc3)c2)cc1 ZINC001452571799 1067235322 /nfs/dbraw/zinc/23/53/22/1067235322.db2.gz YDBVWTIAGVNICX-UHFFFAOYSA-N -1 1 450.969 4.878 20 0 JJADMM Cc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)n[nH]2)s1 ZINC001452584761 1067235599 /nfs/dbraw/zinc/23/55/99/1067235599.db2.gz WMPLKAHXUXBUIJ-UHFFFAOYSA-N -1 1 452.561 4.808 20 0 JJADMM Cc1cccc(C)c1NCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001546105804 1067236957 /nfs/dbraw/zinc/23/69/57/1067236957.db2.gz WUJDZCRXSPTMKC-UHFFFAOYSA-N -1 1 459.955 4.514 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)c2)c1 ZINC001452913440 1067264247 /nfs/dbraw/zinc/26/42/47/1067264247.db2.gz LROWRTJQSXCDBG-RUZDIDTESA-N -1 1 452.551 4.739 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)OC[C@@H]3CC)c2)cc1 ZINC001452931740 1067265497 /nfs/dbraw/zinc/26/54/97/1067265497.db2.gz JEAURUCDLRAZNC-QFIPXVFZSA-N -1 1 458.624 4.860 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](CC)OC[C@H]3CC)c2)cc1 ZINC001452939121 1067265594 /nfs/dbraw/zinc/26/55/94/1067265594.db2.gz XRYRNFSXHVMWMJ-PKTZIBPZSA-N -1 1 458.624 4.860 20 0 JJADMM COc1ccc(C[C@@H]2CCCCN2C(=O)c2c([O-])cnc3c(Br)cccc32)cc1 ZINC001452946414 1067266070 /nfs/dbraw/zinc/26/60/70/1067266070.db2.gz YCASTUIDPNKTCC-INIZCTEOSA-N -1 1 455.352 4.949 20 0 JJADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1F ZINC001453000009 1067273863 /nfs/dbraw/zinc/27/38/63/1067273863.db2.gz VFMVLHMWSFLICZ-QFIPXVFZSA-N -1 1 454.523 4.612 20 0 JJADMM O=C(NOc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001453034539 1067275020 /nfs/dbraw/zinc/27/50/20/1067275020.db2.gz VIXDLCCUCQVPAQ-UHFFFAOYSA-N -1 1 455.294 4.657 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)Cc2ccns2)c1 ZINC001453127881 1067282080 /nfs/dbraw/zinc/28/20/80/1067282080.db2.gz BXBSTJNFOQWVNN-UHFFFAOYSA-N -1 1 457.621 4.822 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc4ccc(O)cc4c3[O-])CC2)C1 ZINC001453316539 1067296831 /nfs/dbraw/zinc/29/68/31/1067296831.db2.gz CUFYNZPFFRCRBV-IBGZPJMESA-N -1 1 454.567 4.750 20 0 JJADMM CC[C@@](C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001453581306 1067316189 /nfs/dbraw/zinc/31/61/89/1067316189.db2.gz HCGBSVDUPBSWLV-HXUWFJFHSA-N -1 1 451.386 4.558 20 0 JJADMM O=C([N-][C@@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453686894 1067322296 /nfs/dbraw/zinc/32/22/96/1067322296.db2.gz XZHSTPFQHFUIHK-WOJBJXKFSA-N -1 1 464.915 4.726 20 0 JJADMM C[C@@H]1Cn2nc(C(=O)Nc3cc(Cl)c([O-])c4ccccc34)cc2CN1C(=O)OC(C)(C)C ZINC001453784224 1067329749 /nfs/dbraw/zinc/32/97/49/1067329749.db2.gz TUTUZERHHDHZIP-CYBMUJFWSA-N -1 1 456.930 4.787 20 0 JJADMM CCC1(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCC1 ZINC001546132541 1068100919 /nfs/dbraw/zinc/10/09/19/1068100919.db2.gz MEMUINHJNZZYCP-UHFFFAOYSA-N -1 1 467.536 4.712 20 0 JJADMM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1 ZINC001462926435 1068216531 /nfs/dbraw/zinc/21/65/31/1068216531.db2.gz FUHDTYWVBXLISO-NSHDSACASA-N -1 1 453.185 4.810 20 0 JJADMM O=S(=O)([N-]Cc1ccc(-n2cnc3ccccc32)cc1)c1c(Cl)cc(F)cc1Cl ZINC001462953064 1068227450 /nfs/dbraw/zinc/22/74/50/1068227450.db2.gz HYIBCHTVGAQHGU-UHFFFAOYSA-N -1 1 450.322 4.950 20 0 JJADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](c2ccc(CC(C)C)cc2)C2CC2)c1F ZINC001462984090 1068239249 /nfs/dbraw/zinc/23/92/49/1068239249.db2.gz NXDJTDWCBLSXRO-NRFANRHFSA-N -1 1 453.963 4.894 20 0 JJADMM O=S(=O)([N-]Cc1ccccc1Oc1cccc(F)c1)c1c(F)cccc1Br ZINC001463047228 1068264257 /nfs/dbraw/zinc/26/42/57/1068264257.db2.gz JROWZTAEABUYHV-UHFFFAOYSA-N -1 1 454.292 4.998 20 0 JJADMM C[S@](=O)(=NS(=O)(=O)[N-][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333557 1068360035 /nfs/dbraw/zinc/36/00/35/1068360035.db2.gz FMFHAJMNQOYQSX-WTYVLRPYSA-N -1 1 459.008 4.833 20 0 JJADMM C[C@@H]1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001463465937 1068409989 /nfs/dbraw/zinc/40/99/89/1068409989.db2.gz CRXRIHUITQESKE-CVEARBPZSA-N -1 1 463.525 4.595 20 0 JJADMM Cc1ccc(NC(=O)c2ccc3cccnc3n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463566246 1068447569 /nfs/dbraw/zinc/44/75/69/1068447569.db2.gz YKDQFCAWHZWMHR-UHFFFAOYSA-N -1 1 452.923 4.645 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)Cc1ccsc1C ZINC001463579422 1068453735 /nfs/dbraw/zinc/45/37/35/1068453735.db2.gz BMPXLDYTXPZZOI-UHFFFAOYSA-N -1 1 450.969 4.701 20 0 JJADMM CC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001463582987 1068456247 /nfs/dbraw/zinc/45/62/47/1068456247.db2.gz PYSUVYIKEWIYQG-CYBMUJFWSA-N -1 1 455.374 4.633 20 0 JJADMM CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001463584513 1068456776 /nfs/dbraw/zinc/45/67/76/1068456776.db2.gz YHBDPHDTPZPNIZ-CYBMUJFWSA-N -1 1 455.374 4.633 20 0 JJADMM C[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 ZINC001463584366 1068456848 /nfs/dbraw/zinc/45/68/48/1068456848.db2.gz OUSAKIQITWXKAM-QGZVFWFLSA-N -1 1 458.580 4.804 20 0 JJADMM COc1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC001463614422 1068466931 /nfs/dbraw/zinc/46/69/31/1068466931.db2.gz XVKWHEHIJGBYOH-UHFFFAOYSA-N -1 1 458.470 4.773 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc(Oc2ccccc2)c1 ZINC001463622078 1068470035 /nfs/dbraw/zinc/47/00/35/1068470035.db2.gz UMLKMVYYHRBMAM-UHFFFAOYSA-N -1 1 451.331 4.703 20 0 JJADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 ZINC001463623198 1068470630 /nfs/dbraw/zinc/47/06/30/1068470630.db2.gz BZAANKGENSYMRJ-AWEZNQCLSA-N -1 1 458.923 4.612 20 0 JJADMM CN(C)c1cccc(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC001463629057 1068475017 /nfs/dbraw/zinc/47/50/17/1068475017.db2.gz ZSDAVAABRBQKAZ-UHFFFAOYSA-N -1 1 457.983 4.778 20 0 JJADMM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC001463652369 1068481451 /nfs/dbraw/zinc/48/14/51/1068481451.db2.gz FSOYDLGIOZVKOB-UHFFFAOYSA-N -1 1 459.955 4.965 20 0 JJADMM Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1)CO2 ZINC001463654496 1068483146 /nfs/dbraw/zinc/48/31/46/1068483146.db2.gz RYMAEHKZRKJFLB-UHFFFAOYSA-N -1 1 454.935 4.864 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC001463748616 1068511940 /nfs/dbraw/zinc/51/19/40/1068511940.db2.gz HDYCLNBZOZITLY-CYBMUJFWSA-N -1 1 459.568 4.769 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC001463809270 1068532797 /nfs/dbraw/zinc/53/27/97/1068532797.db2.gz JEELCFUUVLUFOR-XQBPLPMBSA-N -1 1 456.608 4.975 20 0 JJADMM CC1(C)C[C@@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC001463834825 1068541102 /nfs/dbraw/zinc/54/11/02/1068541102.db2.gz JSIHMCUZGMONOH-LJQANCHMSA-N -1 1 454.523 4.910 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(OCC(F)(F)F)c1 ZINC001463882454 1068555066 /nfs/dbraw/zinc/55/50/66/1068555066.db2.gz QFANTKIEPHPNLB-UHFFFAOYSA-N -1 1 450.438 4.681 20 0 JJADMM CC(C)(C)OC(=O)[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC001464012117 1068588264 /nfs/dbraw/zinc/58/82/64/1068588264.db2.gz XLLHTZCSHAHPMO-SFHVURJKSA-N -1 1 450.409 4.633 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)cc1 ZINC001464066299 1068603605 /nfs/dbraw/zinc/60/36/05/1068603605.db2.gz RBNISFFASSWCAB-UHFFFAOYSA-N -1 1 450.560 4.695 20 0 JJADMM O=C(NCc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001464067452 1068604184 /nfs/dbraw/zinc/60/41/84/1068604184.db2.gz UUYPEBGRJGNORD-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(NCc2ccccn2)c1 ZINC001464159869 1068637640 /nfs/dbraw/zinc/63/76/40/1068637640.db2.gz MFOYLSROKQZEOJ-UHFFFAOYSA-N -1 1 458.543 4.747 20 0 JJADMM Cc1ccc(NC2CC2)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001464162033 1068638340 /nfs/dbraw/zinc/63/83/40/1068638340.db2.gz GUXLMPUMSAXRMR-UHFFFAOYSA-N -1 1 457.502 4.901 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)N1CCC(c2ccccc2)CC1 ZINC001464178158 1068644246 /nfs/dbraw/zinc/64/42/46/1068644246.db2.gz YOFDAYKHIOSOKT-UHFFFAOYSA-N -1 1 456.514 4.785 20 0 JJADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c1)CCC2 ZINC001464189850 1068648933 /nfs/dbraw/zinc/64/89/33/1068648933.db2.gz OCZQUODOWXPVJS-QFIPXVFZSA-N -1 1 450.560 4.863 20 0 JJADMM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C1CCCCC1 ZINC001464341361 1068712785 /nfs/dbraw/zinc/71/27/85/1068712785.db2.gz SCGDHAUNNUNXEW-FQEVSTJZSA-N -1 1 454.951 4.814 20 0 JJADMM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C1CCCCC1 ZINC001464341369 1068713091 /nfs/dbraw/zinc/71/30/91/1068713091.db2.gz SCGDHAUNNUNXEW-HXUWFJFHSA-N -1 1 454.951 4.814 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C4CC4)c3)cc2)cc1OC ZINC001464356513 1068717890 /nfs/dbraw/zinc/71/78/90/1068717890.db2.gz BFCVDFMMMKXZAY-UHFFFAOYSA-N -1 1 452.532 4.634 20 0 JJADMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[n-]n1 ZINC001464433598 1068744055 /nfs/dbraw/zinc/74/40/55/1068744055.db2.gz SESRZWHYURTJSZ-UHFFFAOYSA-N -1 1 455.902 4.915 20 0 JJADMM O=S(=O)([N-][C@H]1CCOc2ccc(Br)cc21)c1ccc(Cl)c(F)c1Cl ZINC001464486843 1068763432 /nfs/dbraw/zinc/76/34/32/1068763432.db2.gz VLBYCPJUTQIKLT-NSHDSACASA-N -1 1 455.132 4.697 20 0 JJADMM C[C@H]1CN(c2ccc(NC(=O)c3c([O-])cnc4c(Br)cccc43)cc2)C[C@H](C)O1 ZINC001464508905 1068768853 /nfs/dbraw/zinc/76/88/53/1068768853.db2.gz ZHQNKYUEADFPLS-KBPBESRZSA-N -1 1 456.340 4.569 20 0 JJADMM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1cccc2c1OCCCO2 ZINC001464581583 1068790849 /nfs/dbraw/zinc/79/08/49/1068790849.db2.gz OAROICOYMRTRKV-INIZCTEOSA-N -1 1 456.269 4.737 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cc2)ccc1F ZINC001464661691 1068816252 /nfs/dbraw/zinc/81/62/52/1068816252.db2.gz AJZZICLQLUTYEO-UHFFFAOYSA-N -1 1 450.894 4.657 20 0 JJADMM CC(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001359795982 1064455459 /nfs/dbraw/zinc/45/54/59/1064455459.db2.gz RMNBITZKHAIHDC-YKSBVNFPSA-N -1 1 468.642 4.877 20 0 JJADMM COc1cc(C(=O)[N-]c2nc(Sc3ccc(OC)cc3)ns2)sc1Br ZINC001435432399 1064754201 /nfs/dbraw/zinc/75/42/01/1064754201.db2.gz XUWXQBPYGBHXLB-UHFFFAOYSA-N -1 1 458.384 4.783 20 0 JJADMM 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Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(OCC(C)C)nc3)c2)c1 ZINC001443851359 1066376350 /nfs/dbraw/zinc/37/63/50/1066376350.db2.gz SROGJNYTNCFZSR-UHFFFAOYSA-N -1 1 453.564 4.786 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC(C)(C)Cc1ccccc1 ZINC001444032797 1066396786 /nfs/dbraw/zinc/39/67/86/1066396786.db2.gz IDRYICWFSFKAIT-UHFFFAOYSA-N -1 1 454.567 4.934 20 0 JJADMM COc1ccccc1C1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CCC1 ZINC001444108397 1066407868 /nfs/dbraw/zinc/40/78/68/1066407868.db2.gz CGCXXYQLLZQMLP-UHFFFAOYSA-N -1 1 450.560 4.614 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3C)c([O-])c2)c1 ZINC001455540121 1066407871 /nfs/dbraw/zinc/40/78/71/1066407871.db2.gz FWKHJIUAVGQTOS-HNNXBMFYSA-N -1 1 452.482 4.600 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)ccc2C)c1 ZINC001444126426 1066410393 /nfs/dbraw/zinc/41/03/93/1066410393.db2.gz WRSKCAFHEJUYFW-NFBKMPQASA-N -1 1 458.624 4.675 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3noc4ccccc43)c2)c1 ZINC001455592332 1066414018 /nfs/dbraw/zinc/41/40/18/1066414018.db2.gz UBZVCCDNTRUVDP-UHFFFAOYSA-N -1 1 455.923 4.520 20 0 JJADMM Cc1c2cc(F)ccc2oc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001444153691 1066419263 /nfs/dbraw/zinc/41/92/63/1066419263.db2.gz VYVNRFFEDLGWBN-UHFFFAOYSA-N -1 1 452.507 4.920 20 0 JJADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC001455825699 1066438902 /nfs/dbraw/zinc/43/89/02/1066438902.db2.gz WANPINLZLNELBY-XLQHLMKVSA-N -1 1 453.391 4.816 20 0 JJADMM Cc1cccc(O[C@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001444269867 1066440440 /nfs/dbraw/zinc/44/04/40/1066440440.db2.gz ZKHDXQKZKLUFTC-QGZVFWFLSA-N -1 1 458.967 4.647 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC001455868927 1066443406 /nfs/dbraw/zinc/44/34/06/1066443406.db2.gz DMFDGCJMSOZONJ-UWJYYQICSA-N -1 1 452.498 4.600 20 0 JJADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001444725010 1066497521 /nfs/dbraw/zinc/49/75/21/1066497521.db2.gz PSDHQCIQMBXHHW-UHFFFAOYSA-N -1 1 452.418 4.851 20 0 JJADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001444807353 1066507044 /nfs/dbraw/zinc/50/70/44/1066507044.db2.gz ULLPIISZEHWLLB-UHFFFAOYSA-N -1 1 454.567 4.985 20 0 JJADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)C1 ZINC001444808078 1066507196 /nfs/dbraw/zinc/50/71/96/1066507196.db2.gz IWGJRZBBCYGUJG-SJORKVTESA-N -1 1 454.564 4.512 20 0 JJADMM Cc1ccc(O[C@@H](C)CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC001444816671 1066509270 /nfs/dbraw/zinc/50/92/70/1066509270.db2.gz YNLAKJVUQICKAI-FQEVSTJZSA-N -1 1 452.576 4.610 20 0 JJADMM CCC(CC)c1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)on1 ZINC001444891469 1066516360 /nfs/dbraw/zinc/51/63/60/1066516360.db2.gz QNTDDUOCERXPGT-UHFFFAOYSA-N -1 1 459.543 4.757 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)cc1C ZINC001444941549 1066520515 /nfs/dbraw/zinc/52/05/15/1066520515.db2.gz BDQJQRCQEBGIFW-UHFFFAOYSA-N -1 1 454.514 4.909 20 0 JJADMM COc1cc(Cl)c(F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001456284807 1066555371 /nfs/dbraw/zinc/55/53/71/1066555371.db2.gz ZKOXVIVHOBBLFV-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCC4(CCOCC4)CC3)c2)c1 ZINC001445358338 1066561571 /nfs/dbraw/zinc/56/15/71/1066561571.db2.gz LXQPXMYPJMUPTA-UHFFFAOYSA-N -1 1 456.608 4.573 20 0 JJADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586353 1066591574 /nfs/dbraw/zinc/59/15/74/1066591574.db2.gz UPOBEYSPDYSHHM-DHIUTWEWSA-N -1 1 456.608 4.524 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3COc4c3cccc4Cl)c2)c1 ZINC001445784160 1066616711 /nfs/dbraw/zinc/61/67/11/1066616711.db2.gz KVBCDCGNYFXGRI-FQEVSTJZSA-N -1 1 456.951 4.621 20 0 JJADMM Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001445971730 1066641115 /nfs/dbraw/zinc/64/11/15/1066641115.db2.gz QCJAIIWYANMLIF-MRXNPFEDSA-N -1 1 458.967 4.516 20 0 JJADMM Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(OC(C)(C)C)c1 ZINC001445998782 1066643143 /nfs/dbraw/zinc/64/31/43/1066643143.db2.gz KOJYORVITUMGIC-UHFFFAOYSA-N -1 1 452.576 4.903 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccc(F)c(F)c4C3)cc2)c1 ZINC001446111846 1066662241 /nfs/dbraw/zinc/66/22/41/1066662241.db2.gz JDZHHSUSHCUSKX-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCOC4(CCCCC4)C3)c2)c1 ZINC001446145203 1066666008 /nfs/dbraw/zinc/66/60/08/1066666008.db2.gz UMPIJSSLQYBINF-NRFANRHFSA-N -1 1 456.608 4.716 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCO[C@@H](C)C3)cc2)c1C ZINC001446201260 1066675029 /nfs/dbraw/zinc/67/50/29/1066675029.db2.gz YJSMBYAIXIIQIQ-JTSKRJEESA-N -1 1 458.624 4.699 20 0 JJADMM CC(C)Cn1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C(C)C ZINC001446355014 1066695663 /nfs/dbraw/zinc/69/56/63/1066695663.db2.gz XKEZYDFTTIAULL-UHFFFAOYSA-N -1 1 458.559 4.855 20 0 JJADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c2)o1 ZINC001446395440 1066701532 /nfs/dbraw/zinc/70/15/32/1066701532.db2.gz NNJJZVJIERAAIF-CYBMUJFWSA-N -1 1 450.438 4.960 20 0 JJADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001456906595 1066718409 /nfs/dbraw/zinc/71/84/09/1066718409.db2.gz AFRWRCYLQLEKAP-UHFFFAOYSA-N -1 1 450.495 4.577 20 0 JJADMM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001446650157 1066728801 /nfs/dbraw/zinc/72/88/01/1066728801.db2.gz QEHXBRWYNGUBDH-UHFFFAOYSA-N -1 1 458.952 4.558 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)c2)c1 ZINC001456972354 1066732803 /nfs/dbraw/zinc/73/28/03/1066732803.db2.gz VPIPWFZOBQIGEM-NRFANRHFSA-N -1 1 454.979 4.655 20 0 JJADMM O=C(CCCc1ccsc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001446713716 1066733524 /nfs/dbraw/zinc/73/35/24/1066733524.db2.gz QCKIJNWEGRMTFU-UHFFFAOYSA-N -1 1 450.969 4.869 20 0 JJADMM CC(C)(Nc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001446717057 1066734056 /nfs/dbraw/zinc/73/40/56/1066734056.db2.gz WFRSEIFZSXOESN-UHFFFAOYSA-N -1 1 459.955 4.676 20 0 JJADMM CSc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1 ZINC001446807130 1066742806 /nfs/dbraw/zinc/74/28/06/1066742806.db2.gz PXDSJEOHNSWFDB-UHFFFAOYSA-N -1 1 454.573 4.973 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)n([C@H](C)CC)n3)c2)cc1 ZINC001446826508 1066745717 /nfs/dbraw/zinc/74/57/17/1066745717.db2.gz ORBNTADXHKCYBQ-MRXNPFEDSA-N -1 1 456.568 4.614 20 0 JJADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989573 1066762382 /nfs/dbraw/zinc/76/23/82/1066762382.db2.gz VDZIVBFJCBGINY-URXFXBBRSA-N -1 1 458.624 4.818 20 0 JJADMM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)C[C@@H]1F ZINC001447030024 1066768053 /nfs/dbraw/zinc/76/80/53/1066768053.db2.gz OEEBHNOBQDMPJL-JPYJTQIMSA-N -1 1 452.551 4.975 20 0 JJADMM COc1ccc2c(c1)[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c3cccc(C)c3)c1)CCC2 ZINC001447101831 1066773279 /nfs/dbraw/zinc/77/32/79/1066773279.db2.gz DCJUJVSFTDXAEZ-XMMPIXPASA-N -1 1 450.560 4.612 20 0 JJADMM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457157517 1066775616 /nfs/dbraw/zinc/77/56/16/1066775616.db2.gz SGDGJFZQANKNNC-HSZRJFAPSA-N -1 1 452.551 4.564 20 0 JJADMM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)CCC2 ZINC001447171866 1066780352 /nfs/dbraw/zinc/78/03/52/1066780352.db2.gz CEWHDXGGVKDFAS-QGZVFWFLSA-N -1 1 452.551 4.535 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC3CCOCC3)cc2)c(C)c1C ZINC001447184052 1066780915 /nfs/dbraw/zinc/78/09/15/1066780915.db2.gz RPQKKGMZJLVEJL-UHFFFAOYSA-N -1 1 458.624 4.528 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3C[C@@H]3Cc3ccccc3)c2)cc1F ZINC001457197921 1066786110 /nfs/dbraw/zinc/78/61/10/1066786110.db2.gz HVUDYTBORHSXOE-LEWJYISDSA-N -1 1 452.551 4.544 20 0 JJADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)C2)c1 ZINC001447626480 1066830910 /nfs/dbraw/zinc/83/09/10/1066830910.db2.gz BPWIHPAFXPXELK-IBGZPJMESA-N -1 1 456.514 4.704 20 0 JJADMM O=C(NCCCCOc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457470239 1066837981 /nfs/dbraw/zinc/83/79/81/1066837981.db2.gz JRLPCGOEFPJFJG-UHFFFAOYSA-N -1 1 458.967 4.730 20 0 JJADMM Cc1cnc(C2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)CC2)s1 ZINC001447694012 1066843319 /nfs/dbraw/zinc/84/33/19/1066843319.db2.gz RFTQDHILNGARCU-UHFFFAOYSA-N -1 1 455.605 4.581 20 0 JJADMM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001447736517 1066849449 /nfs/dbraw/zinc/84/94/49/1066849449.db2.gz SUGPYZIKMSSEQO-UHFFFAOYSA-N -1 1 451.118 4.664 20 0 JJADMM COCCC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)CC1 ZINC001457521551 1066850320 /nfs/dbraw/zinc/85/03/20/1066850320.db2.gz QNRAMAPYFVXZSM-UHFFFAOYSA-N -1 1 456.536 4.557 20 0 JJADMM CC(Cl)(Cl)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001457523671 1066851615 /nfs/dbraw/zinc/85/16/15/1066851615.db2.gz ZFXOCBALRPMZDP-UHFFFAOYSA-N -1 1 455.335 4.934 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCc2cc3c(s2)CCCC3)c1 ZINC001457546095 1066857061 /nfs/dbraw/zinc/85/70/61/1066857061.db2.gz FBKYVEHURFMZPE-UHFFFAOYSA-N -1 1 458.580 4.805 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(CC)C3)ccc2C)cc1 ZINC001447812773 1066865027 /nfs/dbraw/zinc/86/50/27/1066865027.db2.gz MXYNDLQLLDVTAC-RUZDIDTESA-N -1 1 458.624 4.780 20 0 JJADMM O=C(Nc1nc(Br)ccc1[O-])c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001447924237 1066877500 /nfs/dbraw/zinc/87/75/00/1066877500.db2.gz DMQSGFLUOPRWAE-UHFFFAOYSA-N -1 1 455.337 4.775 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(C)(C)c2cccc(F)c2)c1 ZINC001457634211 1066888011 /nfs/dbraw/zinc/88/80/11/1066888011.db2.gz USAMJFWAEHEHHK-UHFFFAOYSA-N -1 1 458.530 4.782 20 0 JJADMM Cc1cc(C2CCN(C(=O)c3nn(-c4c(Cl)cc(Cl)cc4Cl)cc3[O-])CC2)n[nH]1 ZINC001457722326 1066904324 /nfs/dbraw/zinc/90/43/24/1066904324.db2.gz PSUUWYPPTKYVCR-UHFFFAOYSA-N -1 1 454.745 4.589 20 0 JJADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457752710 1066911516 /nfs/dbraw/zinc/91/15/16/1066911516.db2.gz VDUSVRBAOUPZQO-UHFFFAOYSA-N -1 1 454.979 4.945 20 0 JJADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457753218 1066912038 /nfs/dbraw/zinc/91/20/38/1066912038.db2.gz YGBGSFIHJONPEU-QGZVFWFLSA-N -1 1 454.162 4.693 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@@H](CO)CC2CCCC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001448240556 1066914449 /nfs/dbraw/zinc/91/44/49/1066914449.db2.gz DSPZFMXLLIRKBZ-MRXNPFEDSA-N -1 1 451.350 4.622 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCC[C@H]3C)c2)cc1 ZINC001448298565 1066916589 /nfs/dbraw/zinc/91/65/89/1066916589.db2.gz DQYYCXVZJISVRQ-CVEARBPZSA-N -1 1 450.988 4.706 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(OC)c(C)cc3C)cc2)cc1 ZINC001448353563 1066918587 /nfs/dbraw/zinc/91/85/87/1066918587.db2.gz MUSSSQROHSJGBU-UHFFFAOYSA-N -1 1 454.548 4.764 20 0 JJADMM COCCCOc1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC001457783679 1066918737 /nfs/dbraw/zinc/91/87/37/1066918737.db2.gz DWLQRHBQGKPQGZ-UHFFFAOYSA-N -1 1 459.134 4.585 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCSC3)c2)cc1 ZINC001457789623 1066921234 /nfs/dbraw/zinc/92/12/34/1066921234.db2.gz VNWPWHAASQSTHE-KRWDZBQOSA-N -1 1 453.029 4.719 20 0 JJADMM CC[C@H](CNc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001457825905 1066928930 /nfs/dbraw/zinc/92/89/30/1066928930.db2.gz QRERXBPJRYEVSE-OAQYLSRUSA-N -1 1 451.592 4.725 20 0 JJADMM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001448509773 1066935207 /nfs/dbraw/zinc/93/52/07/1066935207.db2.gz DFIIQYIFLJUTQG-QFIPXVFZSA-N -1 1 458.967 4.601 20 0 JJADMM Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001492797136 1066951409 /nfs/dbraw/zinc/95/14/09/1066951409.db2.gz UHQBGNCCSUBIED-UHFFFAOYSA-N -1 1 450.505 4.760 20 0 JJADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001458002950 1066955704 /nfs/dbraw/zinc/95/57/04/1066955704.db2.gz OFMMAASRYZHZTO-WUUXGELPSA-N -1 1 451.013 4.545 20 0 JJADMM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001448893796 1066967880 /nfs/dbraw/zinc/96/78/80/1066967880.db2.gz ORRHECFLFMVGLF-CJNGLKHVSA-N -1 1 451.350 4.717 20 0 JJADMM Cc1cc2cc(CNC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)ccc2[nH]1 ZINC001449071638 1066981169 /nfs/dbraw/zinc/98/11/69/1066981169.db2.gz FUKVVTSNTBGOQD-UHFFFAOYSA-N -1 1 451.523 4.655 20 0 JJADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001545737982 1067001900 /nfs/dbraw/zinc/00/19/00/1067001900.db2.gz ZQSPCRHIEYARDH-NRFANRHFSA-N -1 1 451.958 4.581 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cnc3OC(C)C)c2)cc1 ZINC001449420977 1067009357 /nfs/dbraw/zinc/00/93/57/1067009357.db2.gz BXXVEJGVOSYLIW-UHFFFAOYSA-N -1 1 459.955 4.884 20 0 JJADMM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(SC(F)(F)F)cc1 ZINC001458257400 1067014161 /nfs/dbraw/zinc/01/41/61/1067014161.db2.gz XMZZQCGTPODSFI-NSHDSACASA-N -1 1 451.488 4.886 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2(C(F)(F)F)CC2)c1 ZINC001449769393 1067027067 /nfs/dbraw/zinc/02/70/67/1067027067.db2.gz UAESCKJGLTXHKI-UHFFFAOYSA-N -1 1 454.514 4.918 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c([O-])c1)c1cccc(Br)c1 ZINC001545752820 1067028790 /nfs/dbraw/zinc/02/87/90/1067028790.db2.gz DRTZXSYYUBVNIG-OAHLLOKOSA-N -1 1 453.283 4.715 20 0 JJADMM COc1ccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)c(Br)c1 ZINC001450092784 1067048789 /nfs/dbraw/zinc/04/87/89/1067048789.db2.gz BSIGAYPIHTXKNS-UHFFFAOYSA-N -1 1 452.102 4.726 20 0 JJADMM CCC[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)OC ZINC001450158448 1067055833 /nfs/dbraw/zinc/05/58/33/1067055833.db2.gz WYQGWNDNFWUNFQ-NRFANRHFSA-N -1 1 452.576 4.699 20 0 JJADMM Cc1ccnc(CNC(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)c1 ZINC001450219446 1067060550 /nfs/dbraw/zinc/06/05/50/1067060550.db2.gz WBWOOIOZMUKASQ-UHFFFAOYSA-N -1 1 451.592 4.663 20 0 JJADMM O=C(c1ccc(I)c([O-])c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC001545775043 1067068468 /nfs/dbraw/zinc/06/84/68/1067068468.db2.gz JZWKOXZALQOCQS-UHFFFAOYSA-N -1 1 453.295 4.763 20 0 JJADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(I)ccc1[O-] ZINC001545779937 1067075490 /nfs/dbraw/zinc/07/54/90/1067075490.db2.gz GWIAOHCWLPNNJA-AWEZNQCLSA-N -1 1 450.320 4.936 20 0 JJADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)[C@@H]1C1CC1 ZINC001450735996 1067112973 /nfs/dbraw/zinc/11/29/73/1067112973.db2.gz CHCFHCLOZNFEQC-LJQANCHMSA-N -1 1 452.498 4.767 20 0 JJADMM CCCN1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c2cc(F)ccc21 ZINC001450797034 1067122663 /nfs/dbraw/zinc/12/26/63/1067122663.db2.gz PRSNPFXMLZKPFL-UHFFFAOYSA-N -1 1 455.408 4.519 20 0 JJADMM COC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1cccc(Cl)c1 ZINC001450824734 1067126327 /nfs/dbraw/zinc/12/63/27/1067126327.db2.gz INGBULBXDPHXEL-JOCHJYFZSA-N -1 1 458.967 4.567 20 0 JJADMM C[C@@H](Oc1ccccc1NC(=O)c1ccc(I)c([O-])c1)C(F)(F)F ZINC001450837921 1067129522 /nfs/dbraw/zinc/12/95/22/1067129522.db2.gz SFWDQNLXXZPVDL-SECBINFHSA-N -1 1 451.182 4.579 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4cccs4)C3)cc2)cc1C ZINC001451026782 1067139902 /nfs/dbraw/zinc/13/99/02/1067139902.db2.gz BFYORKFJUPNUCP-IFMALSPDSA-N -1 1 470.616 4.816 20 0 JJADMM COC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001451401350 1067165099 /nfs/dbraw/zinc/16/50/99/1067165099.db2.gz WYXGQKSBTFARFU-QHCPKHFHSA-N -1 1 458.624 4.671 20 0 JJADMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nn1C(C)C ZINC001451689171 1067186298 /nfs/dbraw/zinc/18/62/98/1067186298.db2.gz TVUBLVVZLPFERF-UHFFFAOYSA-N -1 1 450.923 4.618 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cc(F)cc(Cl)c1 ZINC001546105294 1067216289 /nfs/dbraw/zinc/21/62/89/1067216289.db2.gz CFKJFDNUJFAEHR-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(=O)C(C)C)cc3)c2)cc1 ZINC001452597704 1067235794 /nfs/dbraw/zinc/23/57/94/1067235794.db2.gz JRWQMUVKAHYVJE-UHFFFAOYSA-N -1 1 452.532 4.587 20 0 JJADMM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC001459111384 1067253100 /nfs/dbraw/zinc/25/31/00/1067253100.db2.gz QMTXNZIPOPOKKD-UHFFFAOYSA-N -1 1 459.518 4.840 20 0 JJADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1F ZINC001452999218 1067273707 /nfs/dbraw/zinc/27/37/07/1067273707.db2.gz RXZJAECCMOGKOU-JOCHJYFZSA-N -1 1 454.523 4.612 20 0 JJADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1F ZINC001452999239 1067273941 /nfs/dbraw/zinc/27/39/41/1067273941.db2.gz RXZJAECCMOGKOU-QFIPXVFZSA-N -1 1 454.523 4.612 20 0 JJADMM CCOC(=O)CCc1c(C)nc(SCc2oc3ccccc3c2Br)[n-]c1=O ZINC001459249291 1067277599 /nfs/dbraw/zinc/27/75/99/1067277599.db2.gz HHRRFIAZHNWNFP-UHFFFAOYSA-N -1 1 451.342 4.787 20 0 JJADMM CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001453118976 1067280381 /nfs/dbraw/zinc/28/03/81/1067280381.db2.gz IWUDUTIMNORVOV-TZIWHRDSSA-N -1 1 465.525 4.603 20 0 JJADMM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc1)[C@H](C)C2 ZINC001453431049 1067305824 /nfs/dbraw/zinc/30/58/24/1067305824.db2.gz INQNTIOYJVGSSV-NSYGIPOTSA-N -1 1 452.551 4.527 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[C@H](OCCC(C)C)CC3)cc2)cc1 ZINC001453602158 1067317459 /nfs/dbraw/zinc/31/74/59/1067317459.db2.gz OJIOXJMBFOTKPK-AFARHQOCSA-N -1 1 458.624 4.900 20 0 JJADMM CCCOc1cncc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC001453636769 1067320019 /nfs/dbraw/zinc/32/00/19/1067320019.db2.gz WEMXKKMXDCASRV-UHFFFAOYSA-N -1 1 459.955 4.885 20 0 JJADMM Cc1sc(NC(=O)CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1C ZINC001459419853 1067320005 /nfs/dbraw/zinc/32/00/05/1067320005.db2.gz SMGOLAGMBWMANX-UHFFFAOYSA-N -1 1 457.621 4.545 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOc4ccccc4[C@H]3C)ccc2C)cc1 ZINC001453736347 1067325209 /nfs/dbraw/zinc/32/52/09/1067325209.db2.gz JSPHYUQILCXUJO-LJQANCHMSA-N -1 1 450.560 4.700 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4cc(F)c(Cl)cc4[nH]3)cc2)cc1 ZINC001453898334 1067334902 /nfs/dbraw/zinc/33/49/02/1067334902.db2.gz BXRVYXBLUZFTJE-UHFFFAOYSA-N -1 1 458.902 4.717 20 0 JJADMM C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001460520256 1067648119 /nfs/dbraw/zinc/64/81/19/1067648119.db2.gz YEMDXNAPUMRLDW-GJYPPUQNSA-N -1 1 465.541 4.554 20 0 JJADMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC001462892298 1068205527 /nfs/dbraw/zinc/20/55/27/1068205527.db2.gz QJEJATREWXDTNG-LLVKDONJSA-N -1 1 453.185 4.810 20 0 JJADMM COc1ccc([C@H](Cc2ccc(F)cc2)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001462951412 1068226851 /nfs/dbraw/zinc/22/68/51/1068226851.db2.gz WAFXBNXJVXHWRX-SFHVURJKSA-N -1 1 455.338 4.798 20 0 JJADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(Cl)cc2)c1F ZINC001462998920 1068244578 /nfs/dbraw/zinc/24/45/78/1068244578.db2.gz DQTZZSSEGDIMQU-UHFFFAOYSA-N -1 1 451.878 4.550 20 0 JJADMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058898 1068269906 /nfs/dbraw/zinc/26/99/06/1068269906.db2.gz JCZQOBWZKTYIFX-JGTBNHKDSA-N -1 1 452.545 4.741 20 0 JJADMM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1cc(Br)c(Cl)cc1Cl ZINC001463141057 1068300560 /nfs/dbraw/zinc/30/05/60/1068300560.db2.gz WWHFYBJGPZKJRW-UHFFFAOYSA-N -1 1 453.160 4.905 20 0 JJADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2Cl)c2ccccc2OC)c(F)c1 ZINC001463165912 1068307970 /nfs/dbraw/zinc/30/79/70/1068307970.db2.gz FWOXQLSIJNZWKJ-FQEVSTJZSA-N -1 1 453.894 4.703 20 0 JJADMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OCc1ccccc1 ZINC001463408156 1068386952 /nfs/dbraw/zinc/38/69/52/1068386952.db2.gz BFNABKJRULIYBH-GOSISDBHSA-N -1 1 451.997 4.991 20 0 JJADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c2ccc(Cl)cc2)no1 ZINC001463430919 1068394912 /nfs/dbraw/zinc/39/49/12/1068394912.db2.gz ZNIGRQBVYVAZOP-KRWDZBQOSA-N -1 1 454.360 4.967 20 0 JJADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001463491308 1068417664 /nfs/dbraw/zinc/41/76/64/1068417664.db2.gz DYQCSEXJXUPUHM-OAHLLOKOSA-N -1 1 454.495 4.592 20 0 JJADMM O=C(Nc1ccccc1NC(=O)c1cc(I)ccc1[O-])c1ccccc1 ZINC001463537717 1068433185 /nfs/dbraw/zinc/43/31/85/1068433185.db2.gz SRWICFNIZDAMGU-UHFFFAOYSA-N -1 1 458.255 4.501 20 0 JJADMM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC001463540997 1068435284 /nfs/dbraw/zinc/43/52/84/1068435284.db2.gz XIRWELSTGGAVDZ-UHFFFAOYSA-N -1 1 450.757 4.550 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1 ZINC001463543397 1068436019 /nfs/dbraw/zinc/43/60/19/1068436019.db2.gz ABISBQHPYLNXOO-UHFFFAOYSA-N -1 1 458.967 4.512 20 0 JJADMM Cc1ccc(NC(=O)Cc2c[nH]c3ncccc23)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463566239 1068447447 /nfs/dbraw/zinc/44/74/47/1068447447.db2.gz YFOMHISFTMPXTM-UHFFFAOYSA-N -1 1 454.939 4.507 20 0 JJADMM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Cl ZINC001463605118 1068463344 /nfs/dbraw/zinc/46/33/44/1068463344.db2.gz ATJZOUHEMBMJPT-HNNXBMFYSA-N -1 1 459.248 4.673 20 0 JJADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cnc(Cl)cc1Cl ZINC001463619610 1068468518 /nfs/dbraw/zinc/46/85/18/1068468518.db2.gz VOUJFBLLRWFKGH-MGCOHNPYSA-N -1 1 454.148 4.515 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cccc(O)c1F ZINC001463621348 1068469469 /nfs/dbraw/zinc/46/94/69/1068469469.db2.gz UZZKFHBFWAUQND-UHFFFAOYSA-N -1 1 454.401 4.603 20 0 JJADMM CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)no1 ZINC001463623850 1068470692 /nfs/dbraw/zinc/47/06/92/1068470692.db2.gz IXSDCLCGQRKNAE-UHFFFAOYSA-N -1 1 453.442 4.699 20 0 JJADMM Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001463653020 1068482543 /nfs/dbraw/zinc/48/25/43/1068482543.db2.gz JRAXCPSFXQFECI-KRWDZBQOSA-N -1 1 458.967 4.993 20 0 JJADMM O=C(c1cc(Br)ccc1[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001463654370 1068483240 /nfs/dbraw/zinc/48/32/40/1068483240.db2.gz FHLHIEONNZFUJU-UHFFFAOYSA-N -1 1 451.364 4.702 20 0 JJADMM Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC001463672748 1068489719 /nfs/dbraw/zinc/48/97/19/1068489719.db2.gz DWFIZVCNUTZVPH-FQEVSTJZSA-N -1 1 452.576 4.956 20 0 JJADMM CCC[C@H](O)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001463841595 1068544727 /nfs/dbraw/zinc/54/47/27/1068544727.db2.gz CTRZXUPNKMSVBL-INIZCTEOSA-N -1 1 458.552 4.600 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)c1 ZINC001463866857 1068550769 /nfs/dbraw/zinc/55/07/69/1068550769.db2.gz OUHFBWUYEIWLPJ-UHFFFAOYSA-N -1 1 452.576 4.821 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCSc3ccccc3)c2)cc1F ZINC001464003602 1068585536 /nfs/dbraw/zinc/58/55/36/1068585536.db2.gz ZZJZIGGGODHNHF-UHFFFAOYSA-N -1 1 458.580 4.847 20 0 JJADMM CC(C)CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)C1CC1 ZINC001464008346 1068587681 /nfs/dbraw/zinc/58/76/81/1068587681.db2.gz SKMUFRDIKIUPRV-UHFFFAOYSA-N -1 1 451.386 4.511 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)C(C)C)c2)cc1 ZINC001464073027 1068605538 /nfs/dbraw/zinc/60/55/38/1068605538.db2.gz YBKYBNLTMWNNBX-XMMPIXPASA-N -1 1 452.576 4.666 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3)C(C)C)c2)cc1 ZINC001464073023 1068605670 /nfs/dbraw/zinc/60/56/70/1068605670.db2.gz YBKYBNLTMWNNBX-DEOSSOPVSA-N -1 1 452.576 4.666 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc(Nc2nccs2)c1 ZINC001464157913 1068637075 /nfs/dbraw/zinc/63/70/75/1068637075.db2.gz HSNAKULWAKYCAF-UHFFFAOYSA-N -1 1 450.545 4.940 20 0 JJADMM Cc1c(Br)csc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001464179440 1068644821 /nfs/dbraw/zinc/64/48/21/1068644821.db2.gz IOXWFJOMKBBFNV-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](c1ccccc1)C1CCCCC1 ZINC001464182382 1068645593 /nfs/dbraw/zinc/64/55/93/1068645593.db2.gz VWWUZRCHGUUWTI-HXUWFJFHSA-N -1 1 455.407 4.710 20 0 JJADMM O=C(CCc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001464185200 1068647098 /nfs/dbraw/zinc/64/70/98/1068647098.db2.gz ZHVWYCCQMOAVLH-UHFFFAOYSA-N -1 1 459.365 4.821 20 0 JJADMM CCc1cccc(Oc2ccc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])cn2)c1 ZINC001464248581 1068675429 /nfs/dbraw/zinc/67/54/29/1068675429.db2.gz KDFCAJOJQZLEJW-UHFFFAOYSA-N -1 1 458.474 4.943 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)NCc2ccccc2OC2CCCC2)c1)OCC(F)(F)F ZINC001464310127 1068700678 /nfs/dbraw/zinc/70/06/78/1068700678.db2.gz LSHJEOHAEYLTMX-UHFFFAOYSA-N -1 1 452.429 4.754 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)c3cccc(C)c3)cc2)cc1OC ZINC001464363857 1068720015 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DTPAFQWZVATGOQ-UHFFFAOYSA-N -1 1 477.575 4.689 20 0 JJADMM Cc1nc([C@H]([N-]C(=O)C(F)(F)c2ccc(Br)cc2)c2ccc(Cl)cc2)no1 ZINC001435725042 1064957748 /nfs/dbraw/zinc/95/77/48/1064957748.db2.gz CXFNNMXYFBQKMH-OAHLLOKOSA-N -1 1 456.674 4.792 20 0 JJADMM CC(C)SCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001360417128 1065281006 /nfs/dbraw/zinc/28/10/06/1065281006.db2.gz ROAQHBGCWGCLLY-UHFFFAOYSA-N -1 1 486.041 4.940 20 0 JJADMM CC[C@@H](C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001436909666 1065468566 /nfs/dbraw/zinc/46/85/66/1065468566.db2.gz HONWBDPEPQGXTO-DLBZAZTESA-N -1 1 458.402 4.835 20 0 JJADMM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001436909964 1065468733 /nfs/dbraw/zinc/46/87/33/1065468733.db2.gz ILEMATKWODSULA-KRWDZBQOSA-N -1 1 459.493 4.677 20 0 JJADMM C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360570600 1065563837 /nfs/dbraw/zinc/56/38/37/1065563837.db2.gz NXGSRGSVXJRTCT-INIZCTEOSA-N -1 1 483.554 4.704 20 0 JJADMM CSc1nc(C)c(CCC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)c(=O)[n-]1 ZINC001437576011 1065579667 /nfs/dbraw/zinc/57/96/67/1065579667.db2.gz JCNCCQIOPMYQQW-UHFFFAOYSA-N -1 1 456.380 4.609 20 0 JJADMM CCc1onc(-c2ccc(Br)cc2)c1C(=O)[N-]c1nc(C(C)(C)OC)ns1 ZINC001438287357 1065706018 /nfs/dbraw/zinc/70/60/18/1065706018.db2.gz VHVCMYJIKLHUHP-UHFFFAOYSA-N -1 1 451.346 4.652 20 0 JJADMM CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CC1CC(C)(C)C1 ZINC001360802064 1065913354 /nfs/dbraw/zinc/91/33/54/1065913354.db2.gz WOXKBNHCHARZQT-RTBURBONSA-N -1 1 499.622 4.528 20 0 JJADMM CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001440201244 1065923744 /nfs/dbraw/zinc/92/37/44/1065923744.db2.gz WMYRPJHBZUKNJY-HFTRVMKXSA-N -1 1 477.365 4.569 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440379771 1065934911 /nfs/dbraw/zinc/93/49/11/1065934911.db2.gz AWYHAGIJNJIPFW-UHFFFAOYSA-N -1 1 450.347 4.937 20 0 JJADMM Cc1ccc(NC(=O)C[C@H]2Cc3ccccc3O2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384387 1065935890 /nfs/dbraw/zinc/93/58/90/1065935890.db2.gz JOPVUBQRDCLZHQ-HXUWFJFHSA-N -1 1 456.951 4.782 20 0 JJADMM Cc1ccc(NC(=O)c2c[nH]nc2-c2ccco2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440386993 1065936931 /nfs/dbraw/zinc/93/69/31/1065936931.db2.gz OLDIMTHIVBPNNP-UHFFFAOYSA-N -1 1 456.911 4.685 20 0 JJADMM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC001440410175 1065939079 /nfs/dbraw/zinc/93/90/79/1065939079.db2.gz BGMXFWHKWHXIBX-QZTJIDSGSA-N -1 1 475.364 4.894 20 0 JJADMM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001440423900 1065940392 /nfs/dbraw/zinc/94/03/92/1065940392.db2.gz SWGRGWPTIQFSAU-BXKMTCNYSA-N -1 1 458.580 4.804 20 0 JJADMM O=C(Cc1ccc(O)c(Cl)c1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440494838 1065944091 /nfs/dbraw/zinc/94/40/91/1065944091.db2.gz BLMPAVVCOICIOK-UHFFFAOYSA-N -1 1 451.331 4.681 20 0 JJADMM 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Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC001440617173 1065954838 /nfs/dbraw/zinc/95/48/38/1065954838.db2.gz JUJZZUDZKBHMIR-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM Cc1cccc2c(CCC(=O)Nc3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)c[nH]c21 ZINC001440735147 1065972625 /nfs/dbraw/zinc/97/26/25/1065972625.db2.gz AIXPKEWWVAZIQH-UHFFFAOYSA-N -1 1 451.523 4.988 20 0 JJADMM CCc1cccc2c(CC(=O)Nc3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)c[nH]c21 ZINC001440741420 1065974523 /nfs/dbraw/zinc/97/45/23/1065974523.db2.gz XQHMOJXWWNTRLN-UHFFFAOYSA-N -1 1 451.523 4.851 20 0 JJADMM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(I)cc2[O-])cc1 ZINC001440752526 1065976156 /nfs/dbraw/zinc/97/61/56/1065976156.db2.gz DXIXAWGRTRIWCT-SFHVURJKSA-N -1 1 451.304 4.763 20 0 JJADMM CCOc1ccc(OCC)c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC001440754679 1065976466 /nfs/dbraw/zinc/97/64/66/1065976466.db2.gz SNZXJYSPPLYPFE-UHFFFAOYSA-N -1 1 456.445 4.972 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1)OCC(F)(F)F ZINC001440924336 1065994998 /nfs/dbraw/zinc/99/49/98/1065994998.db2.gz ONKHXMNVFZTGHA-UHFFFAOYSA-N -1 1 451.426 4.803 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(Cc4ccccc4)CC3)cc2)ccc1F ZINC001545937297 1065999694 /nfs/dbraw/zinc/99/96/94/1065999694.db2.gz JRWLKUPTYZYXFP-UHFFFAOYSA-N -1 1 452.551 4.688 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2)cc1 ZINC001441005635 1065999738 /nfs/dbraw/zinc/99/97/38/1065999738.db2.gz AHFKIJRWRYEYAX-DEOSSOPVSA-N -1 1 450.560 4.767 20 0 JJADMM COc1ccc([C@@H](C)N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC001441017070 1066000983 /nfs/dbraw/zinc/00/09/83/1066000983.db2.gz UAZBLMUJUADJLV-LJQANCHMSA-N -1 1 452.576 4.946 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)c([O-])c2)c1 ZINC001441214712 1066015681 /nfs/dbraw/zinc/01/56/81/1066015681.db2.gz GFNDPAPSYDEOIF-YADHBBJMSA-N -1 1 454.567 4.996 20 0 JJADMM CCOc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1[O-] ZINC001441239526 1066018589 /nfs/dbraw/zinc/01/85/89/1066018589.db2.gz LKQRMBJXPITFHL-INIZCTEOSA-N -1 1 457.741 4.994 20 0 JJADMM Cc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441345953 1066031671 /nfs/dbraw/zinc/03/16/71/1066031671.db2.gz FNTJJEYVIUDNJQ-UHFFFAOYSA-N -1 1 458.543 4.692 20 0 JJADMM Cc1ccc(NC(=O)c2ncccc2NCC2CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441354591 1066032695 /nfs/dbraw/zinc/03/26/95/1066032695.db2.gz QZCJHLPXBLATGF-UHFFFAOYSA-N -1 1 450.564 4.655 20 0 JJADMM C[C@@]1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CCc2ccccc2C1 ZINC001441388012 1066036764 /nfs/dbraw/zinc/03/67/64/1066036764.db2.gz CARPNAZQCUNJQM-XMMPIXPASA-N -1 1 456.514 4.899 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)c2ccncc12 ZINC001441389627 1066036938 /nfs/dbraw/zinc/03/69/38/1066036938.db2.gz LOPNFWUZJWDGKN-UHFFFAOYSA-N -1 1 457.433 4.705 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc(N2CCCC2)c1 ZINC001441389145 1066037118 /nfs/dbraw/zinc/03/71/18/1066037118.db2.gz 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O=C(Nc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c([O-])c1)c1cc(F)cc(F)c1 ZINC001442036718 1066087250 /nfs/dbraw/zinc/08/72/50/1066087250.db2.gz JPGASJBPBIJLFO-IBGZPJMESA-N -1 1 450.363 4.956 20 0 JJADMM CCCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC001442091281 1066092310 /nfs/dbraw/zinc/09/23/10/1066092310.db2.gz CTQAZBICGUFAOU-UHFFFAOYSA-N -1 1 458.580 4.649 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCc4cc(C)ccc43)c2)cc1 ZINC001442180537 1066099553 /nfs/dbraw/zinc/09/95/53/1066099553.db2.gz JTKFFZMXKQSGJT-XMMPIXPASA-N -1 1 450.560 4.612 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)OC(C)(C)C3)ccc2C)cc1 ZINC001442392975 1066123023 /nfs/dbraw/zinc/12/30/23/1066123023.db2.gz DPTJBZONHBDMRJ-IBGZPJMESA-N -1 1 458.624 4.778 20 0 JJADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC001442504188 1066131984 /nfs/dbraw/zinc/13/19/84/1066131984.db2.gz QRWSGQXQMDHHRJ-LJQANCHMSA-N -1 1 452.576 4.994 20 0 JJADMM 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ZINC001454104384 1066245469 /nfs/dbraw/zinc/24/54/69/1066245469.db2.gz MKWXGWRFNKMITM-UHFFFAOYSA-N -1 1 458.474 4.945 20 0 JJADMM CC1(C)CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001442959933 1066246396 /nfs/dbraw/zinc/24/63/96/1066246396.db2.gz PTODIGXMWQYCFC-UHFFFAOYSA-N -1 1 455.407 4.985 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccncc1Oc1ccccc1 ZINC001442983148 1066249926 /nfs/dbraw/zinc/24/99/26/1066249926.db2.gz FJMQVUVWHVTTNJ-UHFFFAOYSA-N -1 1 459.527 4.605 20 0 JJADMM CCCc1ccc([C@@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC001442999729 1066251451 /nfs/dbraw/zinc/25/14/51/1066251451.db2.gz RAFRRFUUWSAFHS-FQEVSTJZSA-N -1 1 457.423 4.738 20 0 JJADMM CCCCNc1ccccc1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001443023689 1066255489 /nfs/dbraw/zinc/25/54/89/1066255489.db2.gz RECSPJCLHOZXLI-UHFFFAOYSA-N -1 1 451.592 4.972 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3([C@@H]4CCCCO4)CCC3)ccc2C)c1 ZINC001454272059 1066262169 /nfs/dbraw/zinc/26/21/69/1066262169.db2.gz XOXPZTIHVVXLGK-QHCPKHFHSA-N -1 1 456.608 4.573 20 0 JJADMM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001545953906 1066262499 /nfs/dbraw/zinc/26/24/99/1066262499.db2.gz OMQFYRYLSJYMGK-UHFFFAOYSA-N -1 1 456.539 4.945 20 0 JJADMM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(I)cc1[O-] ZINC001443264282 1066286376 /nfs/dbraw/zinc/28/63/76/1066286376.db2.gz MTDGJTFMTHQNMW-UHFFFAOYSA-N -1 1 458.299 4.543 20 0 JJADMM CC(C)N(C)c1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001443337364 1066296452 /nfs/dbraw/zinc/29/64/52/1066296452.db2.gz SEYMIHAZFDJNCY-UHFFFAOYSA-N -1 1 455.555 4.652 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCC(OC(C)(C)C)CC3)ccc2C)c1 ZINC001454557893 1066301411 /nfs/dbraw/zinc/30/14/11/1066301411.db2.gz ZSFYPOLGSPHNCC-UHFFFAOYSA-N -1 1 458.624 4.960 20 0 JJADMM O=C(NCc1cn(C(F)F)c2ccccc12)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001454573476 1066303056 /nfs/dbraw/zinc/30/30/56/1066303056.db2.gz 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20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC001443824333 1066372206 /nfs/dbraw/zinc/37/22/06/1066372206.db2.gz OQPCHGSRYVPSPG-UHFFFAOYSA-N -1 1 456.514 4.613 20 0 JJADMM C[C@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)C(C)(C)C1 ZINC001455237013 1066374009 /nfs/dbraw/zinc/37/40/09/1066374009.db2.gz LOAXUDOPNXVDAS-CQSZACIVSA-N -1 1 451.386 4.511 20 0 JJADMM CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1C(F)(F)F ZINC001455447686 1066391438 /nfs/dbraw/zinc/39/14/38/1066391438.db2.gz DFPFPTOSFPBGTR-QGZVFWFLSA-N -1 1 458.864 4.947 20 0 JJADMM O=C(NOc1ccccc1F)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001455475087 1066396123 /nfs/dbraw/zinc/39/61/23/1066396123.db2.gz GGAYUAGHJWARGU-UHFFFAOYSA-N -1 1 455.294 4.657 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)ccc2C)c1 ZINC001444126438 1066410435 /nfs/dbraw/zinc/41/04/35/1066410435.db2.gz WRSKCAFHEJUYFW-NZQKXSOJSA-N -1 1 458.624 4.675 20 0 JJADMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633095 1066417423 /nfs/dbraw/zinc/41/74/23/1066417423.db2.gz DWOLKGFYFWVXJE-SFHVURJKSA-N -1 1 456.955 4.763 20 0 JJADMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633095 1066417430 /nfs/dbraw/zinc/41/74/30/1066417430.db2.gz DWOLKGFYFWVXJE-SFHVURJKSA-N -1 1 456.955 4.763 20 0 JJADMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633095 1066417437 /nfs/dbraw/zinc/41/74/37/1066417437.db2.gz DWOLKGFYFWVXJE-SFHVURJKSA-N -1 1 456.955 4.763 20 0 JJADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001444248864 1066434434 /nfs/dbraw/zinc/43/44/34/1066434434.db2.gz PAKNFPVVLCHJTO-QHCPKHFHSA-N -1 1 452.551 4.782 20 0 JJADMM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001444269865 1066440279 /nfs/dbraw/zinc/44/02/79/1066440279.db2.gz ZKHDXQKZKLUFTC-KRWDZBQOSA-N -1 1 458.967 4.647 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455868787 1066443507 /nfs/dbraw/zinc/44/35/07/1066443507.db2.gz BMIDKLZPIYTQOP-XOBRGWDASA-N -1 1 472.916 4.945 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@]3(C)CCOC4(CCC4)C3)ccc2C)c1 ZINC001455915902 1066450468 /nfs/dbraw/zinc/45/04/68/1066450468.db2.gz KMNKZIZJOCKHGS-DEOSSOPVSA-N -1 1 456.608 4.573 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@]3(C)CCOC4(CCC4)C3)c2)c1 ZINC001455922564 1066451671 /nfs/dbraw/zinc/45/16/71/1066451671.db2.gz UZVUWTYKCADVBL-XMMPIXPASA-N -1 1 456.608 4.573 20 0 JJADMM CC(C)n1cc(Cl)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC001455930222 1066453160 /nfs/dbraw/zinc/45/31/60/1066453160.db2.gz XKYVYVDFNOALQM-UHFFFAOYSA-N -1 1 453.351 4.824 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](CC)c3ccncc3)c2)cc1 ZINC001444364581 1066455291 /nfs/dbraw/zinc/45/52/91/1066455291.db2.gz QDXBVCBNNSZWDP-HSZRJFAPSA-N -1 1 453.564 4.504 20 0 JJADMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444493156 1066466784 /nfs/dbraw/zinc/46/67/84/1066466784.db2.gz XEVGTROXPMLSMC-YADARESESA-N -1 1 452.551 4.768 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC2(O)CCCCC2)cc1 ZINC001444492439 1066466825 /nfs/dbraw/zinc/46/68/25/1066466825.db2.gz HSASSVGMQXOQHZ-UHFFFAOYSA-N -1 1 458.624 4.518 20 0 JJADMM CON(C[C@H]1CCCc2ccccc21)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001455984613 1066467150 /nfs/dbraw/zinc/46/71/50/1066467150.db2.gz WKNCIBGRTDUYJI-OAQYLSRUSA-N -1 1 450.560 4.611 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)COCC3CCCCC3)cc2)c1 ZINC001456025012 1066480464 /nfs/dbraw/zinc/48/04/64/1066480464.db2.gz LMMZKJYCFQCUGB-FQEVSTJZSA-N -1 1 458.624 4.819 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)COCC3CCCCC3)cc2)cc1C ZINC001456024441 1066480730 /nfs/dbraw/zinc/48/07/30/1066480730.db2.gz KDRHTFTWJGBGLK-FQEVSTJZSA-N -1 1 458.624 4.819 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC(C3CCCC3)C3CCCC3)cc2)cc1 ZINC001456072287 1066502786 /nfs/dbraw/zinc/50/27/86/1066502786.db2.gz APBYBLHVTZEDOH-UHFFFAOYSA-N -1 1 456.608 4.975 20 0 JJADMM COc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)cc1 ZINC001444790871 1066504625 /nfs/dbraw/zinc/50/46/25/1066504625.db2.gz ZGUOEKIDCODRPM-UHFFFAOYSA-N -1 1 450.560 4.516 20 0 JJADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)C1 ZINC001444808063 1066506978 /nfs/dbraw/zinc/50/69/78/1066506978.db2.gz IWGJRZBBCYGUJG-IAGOWNOFSA-N -1 1 454.564 4.512 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC001445025497 1066530621 /nfs/dbraw/zinc/53/06/21/1066530621.db2.gz HKRYMBGIALUMLG-LJQANCHMSA-N -1 1 452.601 4.742 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445166274 1066542241 /nfs/dbraw/zinc/54/22/41/1066542241.db2.gz RPFNKWZNLGIUNW-QZTJIDSGSA-N -1 1 450.560 4.612 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445166283 1066542357 /nfs/dbraw/zinc/54/23/57/1066542357.db2.gz RPFNKWZNLGIUNW-ZWKOTPCHSA-N -1 1 450.560 4.612 20 0 JJADMM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Oc1ccccc1Cl ZINC001445327708 1066557097 /nfs/dbraw/zinc/55/70/97/1066557097.db2.gz QQNVZZSKMDXJHC-LJQANCHMSA-N -1 1 458.967 4.728 20 0 JJADMM CCOC[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001445403001 1066567677 /nfs/dbraw/zinc/56/76/77/1066567677.db2.gz MAQPVNNLBARBJL-OAQYLSRUSA-N -1 1 458.624 4.528 20 0 JJADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001445441709 1066572023 /nfs/dbraw/zinc/57/20/23/1066572023.db2.gz RCGONEYQMPIKHK-RBUKOAKNSA-N -1 1 453.029 4.853 20 0 JJADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584571 1066591102 /nfs/dbraw/zinc/59/11/02/1066591102.db2.gz NQCWIZWJNYRUPA-GOTSBHOMSA-N -1 1 456.608 4.524 20 0 JJADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586596 1066591537 /nfs/dbraw/zinc/59/15/37/1066591537.db2.gz VZTCOZMDNMDVLY-XZOQPEGZSA-N -1 1 456.608 4.524 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(F)n3)ccc2C)cc1 ZINC001545978426 1066617565 /nfs/dbraw/zinc/61/75/65/1066617565.db2.gz CWWPKGJCWNKYMN-UHFFFAOYSA-N -1 1 455.555 4.603 20 0 JJADMM CCc1ccc2occ(C(=O)NCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c2c1 ZINC001445998731 1066643114 /nfs/dbraw/zinc/64/31/14/1066643114.db2.gz INFBYMWGTPOGNO-UHFFFAOYSA-N -1 1 452.507 4.865 20 0 JJADMM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NC(=O)c3cc(F)cc(F)c3)cc1[O-])CCC2 ZINC001446429712 1066705167 /nfs/dbraw/zinc/70/51/67/1066705167.db2.gz OIDFWLPCCMSCIY-QFIPXVFZSA-N -1 1 452.457 4.739 20 0 JJADMM Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC001446467308 1066706877 /nfs/dbraw/zinc/70/68/77/1066706877.db2.gz LSKXXAAIWANWLZ-CYBMUJFWSA-N -1 1 451.748 4.607 20 0 JJADMM Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC001446467309 1066706913 /nfs/dbraw/zinc/70/69/13/1066706913.db2.gz LSKXXAAIWANWLZ-ZDUSSCGKSA-N -1 1 451.748 4.607 20 0 JJADMM CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986487 1066708561 /nfs/dbraw/zinc/70/85/61/1066708561.db2.gz GKRAYNCUDRGNEN-TZIWHRDSSA-N -1 1 493.574 4.608 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)OCc3ccccc3)c2)cc1C ZINC001446527411 1066715968 /nfs/dbraw/zinc/71/59/68/1066715968.db2.gz AOZJKCKCRATLRN-UHFFFAOYSA-N -1 1 458.967 4.961 20 0 JJADMM Cn1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])c2ccccc21 ZINC001446709377 1066733098 /nfs/dbraw/zinc/73/30/98/1066733098.db2.gz JRVFLVRSAAKYRY-UHFFFAOYSA-N -1 1 455.923 4.590 20 0 JJADMM CC(C)(Nc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001446714012 1066733507 /nfs/dbraw/zinc/73/35/07/1066733507.db2.gz RWOSXRNDIKFEDP-UHFFFAOYSA-N -1 1 459.955 4.676 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC001446809740 1066743481 /nfs/dbraw/zinc/74/34/81/1066743481.db2.gz WFTZUNHYCIDKRX-CQSZACIVSA-N -1 1 457.361 4.938 20 0 JJADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)c1 ZINC001446846838 1066747726 /nfs/dbraw/zinc/74/77/26/1066747726.db2.gz IFRUKPBYPGCGNA-UHFFFAOYSA-N -1 1 456.362 4.838 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(Cl)cc4c[nH]nc43)c2)c1 ZINC001457047250 1066751150 /nfs/dbraw/zinc/75/11/50/1066751150.db2.gz KTLQSGUTDRVFAM-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC(Cc2ccccc2)C1 ZINC001446992880 1066763614 /nfs/dbraw/zinc/76/36/14/1066763614.db2.gz CAORJHMHMSFGNF-UHFFFAOYSA-N -1 1 458.942 4.595 20 0 JJADMM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)C[C@@H]1F ZINC001447030025 1066767895 /nfs/dbraw/zinc/76/78/95/1066767895.db2.gz OEEBHNOBQDMPJL-MBSDFSHPSA-N -1 1 452.551 4.975 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccc(Br)cc2[O-])C1 ZINC001457196990 1066785593 /nfs/dbraw/zinc/78/55/93/1066785593.db2.gz DNIFMORCBRRZBX-NRFANRHFSA-N -1 1 453.377 4.551 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3C[C@@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196806 1066785619 /nfs/dbraw/zinc/78/56/19/1066785619.db2.gz BVFNKWMTNOMUCT-LEWJYISDSA-N -1 1 452.551 4.544 20 0 JJADMM CCc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cnn1CC(C)C ZINC001447275202 1066786941 /nfs/dbraw/zinc/78/69/41/1066786941.db2.gz SOMBSZLNDCUUGA-UHFFFAOYSA-N -1 1 454.596 4.771 20 0 JJADMM Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457201823 1066787766 /nfs/dbraw/zinc/78/77/66/1066787766.db2.gz SAMRHBVRHSYFMV-SFTDATJTSA-N -1 1 452.551 4.544 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC[C@@H]1c1ccccc1 ZINC001447338058 1066795931 /nfs/dbraw/zinc/79/59/31/1066795931.db2.gz CYHPZXNXUBGPIR-XMMPIXPASA-N -1 1 452.551 4.923 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@]34CCC[C@H]3OCC4)c2)cc1 ZINC001457298475 1066807077 /nfs/dbraw/zinc/80/70/77/1066807077.db2.gz YTCJYUSHSQCVKU-AOYPEHQESA-N -1 1 470.635 4.861 20 0 JJADMM Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1 ZINC001447460331 1066812220 /nfs/dbraw/zinc/81/22/20/1066812220.db2.gz YZSNZYQISMQDME-FQEVSTJZSA-N -1 1 453.930 4.971 20 0 JJADMM COc1cccc(OC(F)(F)F)c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001447786881 1066856928 /nfs/dbraw/zinc/85/69/28/1066856928.db2.gz QZEVPAHVSQHEQG-UHFFFAOYSA-N -1 1 452.429 4.614 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NOCc2ccc(F)cc2Br)c([O-])c1 ZINC001447799298 1066860982 /nfs/dbraw/zinc/86/09/82/1066860982.db2.gz CPWXWHWBOBUVJV-UHFFFAOYSA-N -1 1 455.280 4.502 20 0 JJADMM CO[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@@H]1C ZINC001447810095 1066863783 /nfs/dbraw/zinc/86/37/83/1066863783.db2.gz OGRURDRZWBVMGK-NPMXOYFQSA-N -1 1 458.624 4.527 20 0 JJADMM CO[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@H]1C ZINC001447810085 1066863825 /nfs/dbraw/zinc/86/38/25/1066863825.db2.gz OGRURDRZWBVMGK-CMJOXMDJSA-N -1 1 458.624 4.527 20 0 JJADMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(Br)c([O-])c1 ZINC001457573258 1066867860 /nfs/dbraw/zinc/86/78/60/1066867860.db2.gz GREWEUZRDWQBAX-UHFFFAOYSA-N -1 1 458.274 4.652 20 0 JJADMM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc1)CC2 ZINC001447897391 1066874234 /nfs/dbraw/zinc/87/42/34/1066874234.db2.gz RIOQXWFXRAENOQ-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nc(Br)ccc4[O-])cc3)o2)c1 ZINC001447924265 1066877586 /nfs/dbraw/zinc/87/75/86/1066877586.db2.gz FNQZWAKNCXVXMY-UHFFFAOYSA-N -1 1 451.280 4.827 20 0 JJADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC001447929468 1066878253 /nfs/dbraw/zinc/87/82/53/1066878253.db2.gz NDESBNZEXZMFEW-UHFFFAOYSA-N -1 1 459.687 4.901 20 0 JJADMM COC1(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCCCC1 ZINC001447998781 1066889260 /nfs/dbraw/zinc/88/92/60/1066889260.db2.gz VPFIOJBQJJEDSJ-UHFFFAOYSA-N -1 1 450.988 4.528 20 0 JJADMM COCCC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCCCC1 ZINC001448109567 1066900779 /nfs/dbraw/zinc/90/07/79/1066900779.db2.gz BAFZXIOMGCHSEX-UHFFFAOYSA-N -1 1 458.624 4.821 20 0 JJADMM Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Br)cc(Cl)c3[O-])n2)cc1 ZINC001457731872 1066906315 /nfs/dbraw/zinc/90/63/15/1066906315.db2.gz BPOGSEXAEYRWDF-UHFFFAOYSA-N -1 1 453.749 4.632 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)c([O-])c1 ZINC001448184977 1066907649 /nfs/dbraw/zinc/90/76/49/1066907649.db2.gz CLJPHBFCUAVGGW-UHFFFAOYSA-N -1 1 454.445 4.653 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CSC3(C)C)c2)cc1Cl ZINC001448183259 1066907685 /nfs/dbraw/zinc/90/76/85/1066907685.db2.gz BNFOCDJSIJZVIH-KRWDZBQOSA-N -1 1 459.420 4.726 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC001457774137 1066916427 /nfs/dbraw/zinc/91/64/27/1066916427.db2.gz CXYFGPHPDFSMCL-HSZRJFAPSA-N -1 1 458.942 4.852 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(F)(F)CC2)cc1 ZINC001448360321 1066919852 /nfs/dbraw/zinc/91/98/52/1066919852.db2.gz VLWRIVGHULSDCH-UHFFFAOYSA-N -1 1 450.551 4.965 20 0 JJADMM COc1cccc2[nH]cc(CC(=O)Nc3cc([O-])c(Br)cc3Br)c21 ZINC001457789367 1066920663 /nfs/dbraw/zinc/92/06/63/1066920663.db2.gz SRJVSBCIQYQVTI-UHFFFAOYSA-N -1 1 454.118 4.588 20 0 JJADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC001457886326 1066936507 /nfs/dbraw/zinc/93/65/07/1066936507.db2.gz PBMCBUMCNNMOGF-RBUKOAKNSA-N -1 1 452.938 4.791 20 0 JJADMM CC1(c2ccccc2)CC(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)C1 ZINC001448627242 1066945353 /nfs/dbraw/zinc/94/53/53/1066945353.db2.gz DLLICTHNLLKVJS-UHFFFAOYSA-N -1 1 456.514 4.616 20 0 JJADMM O=C([N-]CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1)C(F)(F)F ZINC001448720183 1066953369 /nfs/dbraw/zinc/95/33/69/1066953369.db2.gz QKQKTSHRZOVZTB-UHFFFAOYSA-N -1 1 457.452 4.539 20 0 JJADMM COc1ccccc1C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001448729730 1066954357 /nfs/dbraw/zinc/95/43/57/1066954357.db2.gz VAKBTSUQLVMVFV-INIZCTEOSA-N -1 1 458.967 4.510 20 0 JJADMM CO[C@@H]1CCOc2c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cccc21 ZINC001448757365 1066955861 /nfs/dbraw/zinc/95/58/61/1066955861.db2.gz SLKKQVOHTLQBCZ-JOCHJYFZSA-N -1 1 452.532 4.518 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)c2)c1 ZINC001448901779 1066968310 /nfs/dbraw/zinc/96/83/10/1066968310.db2.gz DIIMGJRLQXKMSC-UGKGYDQZSA-N -1 1 458.942 4.874 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)c2)c1 ZINC001448901758 1066968403 /nfs/dbraw/zinc/96/84/03/1066968403.db2.gz DIIMGJRLQXKMSC-DENIHFKCSA-N -1 1 458.942 4.874 20 0 JJADMM CO[C@@]1(C)CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC001448981221 1066975473 /nfs/dbraw/zinc/97/54/73/1066975473.db2.gz HAEMWYWMLZJJRT-QFIPXVFZSA-N -1 1 451.350 4.983 20 0 JJADMM C[C@@H]1CSCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001449007270 1066976929 /nfs/dbraw/zinc/97/69/29/1066976929.db2.gz GPXXJHSOGDEQJU-ZDUSSCGKSA-N -1 1 459.420 4.619 20 0 JJADMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001449090271 1066981946 /nfs/dbraw/zinc/98/19/46/1066981946.db2.gz TXJUSWDHCJCAPP-QHCPKHFHSA-N -1 1 456.539 4.858 20 0 JJADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001449090270 1066982067 /nfs/dbraw/zinc/98/20/67/1066982067.db2.gz TXJUSWDHCJCAPP-HSZRJFAPSA-N -1 1 456.539 4.858 20 0 JJADMM COc1cccc(C2(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4)ccc3Cl)CC2)c1 ZINC001449283116 1066995404 /nfs/dbraw/zinc/99/54/04/1066995404.db2.gz GWQSEDYPOHFUTN-UHFFFAOYSA-N -1 1 456.951 4.569 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCCc2ccccc2CC1 ZINC001449692081 1067020823 /nfs/dbraw/zinc/02/08/23/1067020823.db2.gz FBSIJVIDJPZULE-UHFFFAOYSA-N -1 1 454.979 4.772 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc(C)c3C)c2)cc1 ZINC001450199772 1067059472 /nfs/dbraw/zinc/05/94/72/1067059472.db2.gz WOQWRWZLIGNRMC-UHFFFAOYSA-N -1 1 452.576 4.775 20 0 JJADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001450360168 1067073637 /nfs/dbraw/zinc/07/36/37/1067073637.db2.gz PHEVNONADCCXQK-SFHVURJKSA-N -1 1 456.951 4.897 20 0 JJADMM Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001450482770 1067084389 /nfs/dbraw/zinc/08/43/89/1067084389.db2.gz NXPYQGFCRMRZQZ-LBZQVFOQSA-N -1 1 456.514 4.750 20 0 JJADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001450598368 1067093249 /nfs/dbraw/zinc/09/32/49/1067093249.db2.gz WJFLYDXGIFEXIC-IRXDYDNUSA-N -1 1 450.988 4.971 20 0 JJADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001450598361 1067093403 /nfs/dbraw/zinc/09/34/03/1067093403.db2.gz WJFLYDXGIFEXIC-DLBZAZTESA-N -1 1 450.988 4.971 20 0 JJADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(F)(F)F)cc2Br)c(=O)[n-]1 ZINC001458611209 1067094853 /nfs/dbraw/zinc/09/48/53/1067094853.db2.gz WPNRBVFQUZWRDC-UHFFFAOYSA-N -1 1 450.280 4.565 20 0 JJADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CC[C@H]1C(F)(F)F ZINC001450638833 1067098269 /nfs/dbraw/zinc/09/82/69/1067098269.db2.gz KMQUMZFYFIXMNA-HNNXBMFYSA-N -1 1 453.269 4.571 20 0 JJADMM C[C@H]1CCC(C)(C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001451070711 1067144739 /nfs/dbraw/zinc/14/47/39/1067144739.db2.gz XKFHAWWMZDRDCA-AWEZNQCLSA-N -1 1 451.386 4.653 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(CCO)c3)c2)cc1C ZINC001451337791 1067160505 /nfs/dbraw/zinc/16/05/05/1067160505.db2.gz CHWNMEUZPPHNRO-UHFFFAOYSA-N -1 1 458.967 4.545 20 0 JJADMM COCC1(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CCCC1 ZINC001451528860 1067176688 /nfs/dbraw/zinc/17/66/88/1067176688.db2.gz MRWVVRHCALZEPK-UHFFFAOYSA-N -1 1 451.350 4.888 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3F)c2)cc1 ZINC001451701681 1067187578 /nfs/dbraw/zinc/18/75/78/1067187578.db2.gz XDUPOSWMCSWDRS-UHFFFAOYSA-N -1 1 458.511 4.676 20 0 JJADMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001451805488 1067192546 /nfs/dbraw/zinc/19/25/46/1067192546.db2.gz MKFCWXYUKWYFOJ-QFBILLFUSA-N -1 1 477.424 4.949 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)Cc3ccccn3)c2)cc1 ZINC001452487359 1067227154 /nfs/dbraw/zinc/22/71/54/1067227154.db2.gz GDIDBFJZSAOGCG-IBGZPJMESA-N -1 1 451.592 4.586 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)c1 ZINC001546105515 1067229291 /nfs/dbraw/zinc/22/92/91/1067229291.db2.gz LALOOWJJFJOGJN-UHFFFAOYSA-N -1 1 458.624 4.997 20 0 JJADMM CSc1ccsc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105549 1067230332 /nfs/dbraw/zinc/23/03/32/1067230332.db2.gz NANPKCBNTLYIGO-UHFFFAOYSA-N -1 1 454.982 4.882 20 0 JJADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccccc1F ZINC001452657253 1067241292 /nfs/dbraw/zinc/24/12/92/1067241292.db2.gz XAPAOADNFHMGKC-HSZRJFAPSA-N -1 1 454.523 4.710 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)OC[C@H]3C)c2)cc1 ZINC001452963923 1067268651 /nfs/dbraw/zinc/26/86/51/1067268651.db2.gz VWYOTOSOZVYWHC-LJQANCHMSA-N -1 1 456.608 4.614 20 0 JJADMM O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)c([O-])c1)c1cc(F)cc(F)c1 ZINC001453009410 1067274351 /nfs/dbraw/zinc/27/43/51/1067274351.db2.gz LGEORDOKHQEZFW-QFIPXVFZSA-N -1 1 452.457 4.935 20 0 JJADMM C[C@H]1CCc2sc(C(=O)N3CC[C@H](c4ccccc4)[C@H]([N-]C(=O)C(F)(F)F)C3)cc2C1 ZINC001453669638 1067320881 /nfs/dbraw/zinc/32/08/81/1067320881.db2.gz AXRGJCMHGROCDL-BMGDILEWSA-N -1 1 450.526 4.550 20 0 JJADMM C[C@@H]1CCc2sc(C(=O)N3CC[C@H](c4ccccc4)[C@H]([N-]C(=O)C(F)(F)F)C3)cc2C1 ZINC001453669654 1067320963 /nfs/dbraw/zinc/32/09/63/1067320963.db2.gz AXRGJCMHGROCDL-ZTFGCOKTSA-N -1 1 450.526 4.550 20 0 JJADMM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)cc1S(=O)(=O)NC1CCCC1 ZINC001453764948 1067328177 /nfs/dbraw/zinc/32/81/77/1067328177.db2.gz CHOAJFGQYZBJJH-UHFFFAOYSA-N -1 1 458.967 4.980 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC3(CC(C)C)CC3)c2)cc1 ZINC001453889049 1067334448 /nfs/dbraw/zinc/33/44/48/1067334448.db2.gz KQFJYXCHAKMDOB-UHFFFAOYSA-N -1 1 450.988 4.848 20 0 JJADMM COC[C@H](NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1cccc(Cl)c1 ZINC001460195986 1067576597 /nfs/dbraw/zinc/57/65/97/1067576597.db2.gz JUIFSRLXLVZVMQ-IBGZPJMESA-N -1 1 455.967 4.791 20 0 JJADMM CC(C)COc1cccc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC001460396479 1067626487 /nfs/dbraw/zinc/62/64/87/1067626487.db2.gz ZIENGBVOMOKYKK-VXKWHMMOSA-N -1 1 452.492 4.897 20 0 JJADMM C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001460520260 1067648111 /nfs/dbraw/zinc/64/81/11/1067648111.db2.gz YEMDXNAPUMRLDW-MDZRGWNJSA-N -1 1 465.541 4.554 20 0 JJADMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001461024154 1067763948 /nfs/dbraw/zinc/76/39/48/1067763948.db2.gz CQDQACZFPPJPPT-DYVFJYSZSA-N -1 1 458.402 4.520 20 0 JJADMM CCc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C[N-]C(=O)C(F)(F)F)cs2)cc1 ZINC001461026589 1067764771 /nfs/dbraw/zinc/76/47/71/1067764771.db2.gz NDGYDDZVNZIEDC-KRWDZBQOSA-N -1 1 459.493 4.623 20 0 JJADMM O=C([N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(F)(F)c1cccc(Br)c1 ZINC001461659889 1067912167 /nfs/dbraw/zinc/91/21/67/1067912167.db2.gz YNTCKJMJYZWFCU-UKRRQHHQSA-N -1 1 450.201 4.592 20 0 JJADMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)[n-]1 ZINC001462729649 1068146450 /nfs/dbraw/zinc/14/64/50/1068146450.db2.gz BGCMHVZBJHMDQB-UHFFFAOYSA-N -1 1 452.410 4.883 20 0 JJADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C)(C)c1ccccc1Cl ZINC001463006349 1068247452 /nfs/dbraw/zinc/24/74/52/1068247452.db2.gz OXZPGVLNAKURJY-UHFFFAOYSA-N -1 1 450.771 4.690 20 0 JJADMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058899 1068270120 /nfs/dbraw/zinc/27/01/20/1068270120.db2.gz JCZQOBWZKTYIFX-PFUSGODGSA-N -1 1 452.545 4.741 20 0 JJADMM CC[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001463193484 1068316172 /nfs/dbraw/zinc/31/61/72/1068316172.db2.gz KDVSPHKGZRRHPZ-LBPRGKRZSA-N -1 1 454.283 4.907 20 0 JJADMM O=S(=O)([N-]CCCc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1F ZINC001463235965 1068330307 /nfs/dbraw/zinc/33/03/07/1068330307.db2.gz HQBBNGBXPBBLLD-UHFFFAOYSA-N -1 1 459.139 4.945 20 0 JJADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252673 1068335571 /nfs/dbraw/zinc/33/55/71/1068335571.db2.gz PMCIOHKQRZKHSA-RKDXNWHRSA-N -1 1 452.695 4.889 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@](C)(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001463399199 1068384443 /nfs/dbraw/zinc/38/44/43/1068384443.db2.gz ZPDBHOUNYLXSRA-HXUWFJFHSA-N -1 1 459.033 4.870 20 0 JJADMM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)CC3 ZINC001463419555 1068391670 /nfs/dbraw/zinc/39/16/70/1068391670.db2.gz SVICXZQACQABBF-SNVBAGLBSA-N -1 1 459.818 4.790 20 0 JJADMM C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001463469462 1068411602 /nfs/dbraw/zinc/41/16/02/1068411602.db2.gz RAAQZZKPOYINFR-SZNDQCEHSA-N -1 1 459.443 4.570 20 0 JJADMM O=C1CCCc2cc(S(=O)(=O)[N-][C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)ccc21 ZINC001463506760 1068422630 /nfs/dbraw/zinc/42/26/30/1068422630.db2.gz VADIVCQPDPIXHC-KRWDZBQOSA-N -1 1 451.388 4.806 20 0 JJADMM Cc1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463564078 1068445931 /nfs/dbraw/zinc/44/59/31/1068445931.db2.gz LAJMJHFXHGRTLG-IBGZPJMESA-N -1 1 456.951 4.823 20 0 JJADMM Cc1ccc(NC(=O)COC2CCC(C)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463564889 1068446474 /nfs/dbraw/zinc/44/64/74/1068446474.db2.gz PCMCEWCGCUUCNW-UHFFFAOYSA-N -1 1 450.988 4.983 20 0 JJADMM Cc1ccc(NC(=O)c2c(Cl)ccnc2F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463565444 1068446591 /nfs/dbraw/zinc/44/65/91/1068446591.db2.gz RVFDYFQODAJGHD-UHFFFAOYSA-N -1 1 454.310 4.889 20 0 JJADMM Cc1ccc(NC(=O)c2c(F)ccnc2Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463565586 1068446654 /nfs/dbraw/zinc/44/66/54/1068446654.db2.gz VGFZCEZPHBAIFS-UHFFFAOYSA-N -1 1 454.310 4.889 20 0 JJADMM Cc1ccc(NC(=O)c2c3ccccc3nn2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463566143 1068447519 /nfs/dbraw/zinc/44/75/19/1068447519.db2.gz WYHCKWDLNNVZQE-UHFFFAOYSA-N -1 1 454.939 4.588 20 0 JJADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463582341 1068455349 /nfs/dbraw/zinc/45/53/49/1068455349.db2.gz MWHVTVIEZUNPRG-ICSRJNTNSA-N -1 1 451.386 4.871 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccoc1Cl ZINC001463583446 1068456270 /nfs/dbraw/zinc/45/62/70/1068456270.db2.gz RMWFFNZLJGXOSW-UHFFFAOYSA-N -1 1 455.717 4.749 20 0 JJADMM COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)cc1 ZINC001463589825 1068458970 /nfs/dbraw/zinc/45/89/70/1068458970.db2.gz OMGAGFWZNSFHGO-UHFFFAOYSA-N -1 1 458.967 4.730 20 0 JJADMM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CCOCC1 ZINC001463623151 1068470662 /nfs/dbraw/zinc/47/06/62/1068470662.db2.gz DQCGKPGHOSEDLO-UHFFFAOYSA-N -1 1 456.486 4.652 20 0 JJADMM CCO[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC001463632275 1068476345 /nfs/dbraw/zinc/47/63/45/1068476345.db2.gz FNAXJYRCGCNONA-OAHLLOKOSA-N -1 1 453.185 4.812 20 0 JJADMM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC001463652956 1068482307 /nfs/dbraw/zinc/48/23/07/1068482307.db2.gz JCQVDDCWFRAPEI-XZOQPEGZSA-N -1 1 469.994 4.949 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(OC(C)(C)C)cn3)ccc2C)c1 ZINC001463678652 1068491117 /nfs/dbraw/zinc/49/11/17/1068491117.db2.gz QXPAORKJHZLEDX-UHFFFAOYSA-N -1 1 453.564 4.929 20 0 JJADMM CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001463725313 1068505455 /nfs/dbraw/zinc/50/54/55/1068505455.db2.gz QAZGVLAXCWYMPB-LBPRGKRZSA-N -1 1 458.930 4.569 20 0 JJADMM COc1ccccc1OC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001463782841 1068523297 /nfs/dbraw/zinc/52/32/97/1068523297.db2.gz KSASPIIOCBOZLC-UHFFFAOYSA-N -1 1 451.422 4.734 20 0 JJADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccc(F)c3ccccc32)c1F ZINC001463805411 1068531452 /nfs/dbraw/zinc/53/14/52/1068531452.db2.gz DXJGCPFUTAUCKH-LLVKDONJSA-N -1 1 456.308 4.929 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC001463809246 1068532902 /nfs/dbraw/zinc/53/29/02/1068532902.db2.gz JEELCFUUVLUFOR-CNNODRBYSA-N -1 1 456.608 4.975 20 0 JJADMM O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001463828501 1068539331 /nfs/dbraw/zinc/53/93/31/1068539331.db2.gz JKEGNGOTQWNQPV-UHFFFAOYSA-N -1 1 458.967 4.730 20 0 JJADMM CCc1ccccc1-n1cc([O-])c(C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)n1 ZINC001463845312 1068545916 /nfs/dbraw/zinc/54/59/16/1068545916.db2.gz ZZQPTKOUZIBWCY-UHFFFAOYSA-N -1 1 457.486 4.620 20 0 JJADMM CC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1OC(C)C ZINC001463878138 1068553924 /nfs/dbraw/zinc/55/39/24/1068553924.db2.gz AYICESOXALRPDA-UHFFFAOYSA-N -1 1 452.532 4.730 20 0 JJADMM CC(C)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001463879694 1068554552 /nfs/dbraw/zinc/55/45/52/1068554552.db2.gz IMAIRZZHTVYHSG-RBUKOAKNSA-N -1 1 469.529 4.525 20 0 JJADMM Cc1ccc(Br)c(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC001463900611 1068560027 /nfs/dbraw/zinc/56/00/27/1068560027.db2.gz LALYZRDQFRPARN-UHFFFAOYSA-N -1 1 459.612 4.713 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(C)cc3C)cc2)cc1 ZINC001464072984 1068605584 /nfs/dbraw/zinc/60/55/84/1068605584.db2.gz KVEDRMYEGOZCSW-IBGZPJMESA-N -1 1 452.576 4.946 20 0 JJADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001464102708 1068616135 /nfs/dbraw/zinc/61/61/35/1068616135.db2.gz KBXASVGUMFRMNQ-KBXCAEBGSA-N -1 1 451.386 4.558 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc(-c2cnco2)c1 ZINC001464165317 1068640360 /nfs/dbraw/zinc/64/03/60/1068640360.db2.gz PQTCNISAKCDZSZ-UHFFFAOYSA-N -1 1 455.442 4.673 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(-c2c(F)cccc2F)no1 ZINC001464182708 1068646085 /nfs/dbraw/zinc/64/60/85/1068646085.db2.gz SQPPABPLWGZJAO-UHFFFAOYSA-N -1 1 455.442 4.673 20 0 JJADMM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1OC(C)C ZINC001464184699 1068647085 /nfs/dbraw/zinc/64/70/85/1068647085.db2.gz AFBVVGVNKPWTOE-UHFFFAOYSA-N -1 1 454.548 4.844 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001464190102 1068648918 /nfs/dbraw/zinc/64/89/18/1068648918.db2.gz QVURSTOMIQVSTJ-UHFFFAOYSA-N -1 1 450.347 4.937 20 0 JJADMM CC(C)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@@H]1CCCCO1 ZINC001464338083 1068711690 /nfs/dbraw/zinc/71/16/90/1068711690.db2.gz GVFASHWNLGPIJF-IBGZPJMESA-N -1 1 454.951 4.814 20 0 JJADMM O=C(Cc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001464338014 1068711894 /nfs/dbraw/zinc/71/18/94/1068711894.db2.gz GAHGWIGCNAOQIW-UHFFFAOYSA-N -1 1 454.857 4.739 20 0 JJADMM Cc1cccc(OC[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC001464373950 1068722285 /nfs/dbraw/zinc/72/22/85/1068722285.db2.gz OZNKCFFBFMPMDQ-HXUWFJFHSA-N -1 1 452.576 4.610 20 0 JJADMM O=C(c1ccc(I)c([O-])c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001464475995 1068760074 /nfs/dbraw/zinc/76/00/74/1068760074.db2.gz LPGDHWFPZSCDTP-IBGZPJMESA-N -1 1 455.295 4.785 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccnc2cc(Cl)ccc21 ZINC001464723132 1068838680 /nfs/dbraw/zinc/83/86/80/1068838680.db2.gz OVJIPJRBKATZGC-UHFFFAOYSA-N -1 1 451.935 4.619 20 0 JJADMM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)c1 ZINC000012560794 556053355 /nfs/dbraw/zinc/05/33/55/556053355.db2.gz KPHRKGCXQPTPRQ-UHFFFAOYSA-N -1 1 479.377 4.635 20 0 JJADMM Cc1cc(C(F)(F)C(=O)[N-]Cc2cc(Br)ccc2OC(F)F)cnc1Cl ZINC001434982945 1064399493 /nfs/dbraw/zinc/39/94/93/1064399493.db2.gz DBSIIDYPGRNWRF-UHFFFAOYSA-N -1 1 455.633 4.816 20 0 JJADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858189 1064545330 /nfs/dbraw/zinc/54/53/30/1064545330.db2.gz JLFOLSYQTKGQOX-HHHXNRCGSA-N -1 1 457.578 4.751 20 0 JJADMM CCCCc1nc(C(=O)OCC)c(NC(=O)CSCc2ccc(Br)cc2)[nH]1 ZINC001435887208 1065044982 /nfs/dbraw/zinc/04/49/82/1065044982.db2.gz PCZZQLGQXYHOAH-UHFFFAOYSA-N -1 1 454.390 4.563 20 0 JJADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc(-c2cccnc2Cl)ns1 ZINC001437137693 1065512047 /nfs/dbraw/zinc/51/20/47/1065512047.db2.gz ZKBZOAZZYSVIGG-UHFFFAOYSA-N -1 1 454.943 4.726 20 0 JJADMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437475251 1065559454 /nfs/dbraw/zinc/55/94/54/1065559454.db2.gz MOOBPEOJMDVZBE-MKCNHSFFSA-N -1 1 472.523 4.563 20 0 JJADMM O=C(Cc1ccc2ccccc2c1)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437476028 1065559568 /nfs/dbraw/zinc/55/95/68/1065559568.db2.gz PHSIMBJQRIXTNC-VXKWHMMOSA-N -1 1 458.455 4.585 20 0 JJADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3c(Cl)cccc3Oc3ccccc3Cl)nc2n1 ZINC001438066958 1065664844 /nfs/dbraw/zinc/66/48/44/1065664844.db2.gz RUTCTKKLTDIJTB-UHFFFAOYSA-N -1 1 458.305 4.722 20 0 JJADMM CCOC(=O)c1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]c1Cl ZINC001439497544 1065834714 /nfs/dbraw/zinc/83/47/14/1065834714.db2.gz LQCNZQPWUBDIDN-UHFFFAOYSA-N -1 1 457.701 4.773 20 0 JJADMM Cc1ccc(NC(=O)c2c[nH]nc2-c2ccco2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384043 1065935355 /nfs/dbraw/zinc/93/53/55/1065935355.db2.gz IODCMRGJVWTIRE-UHFFFAOYSA-N -1 1 456.911 4.685 20 0 JJADMM C/C=C(/CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001440410557 1065938904 /nfs/dbraw/zinc/93/89/04/1065938904.db2.gz DARZNKWPXDSSTN-PQMHYQBVSA-N -1 1 453.358 4.553 20 0 JJADMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1O ZINC001440487894 1065943534 /nfs/dbraw/zinc/94/35/34/1065943534.db2.gz YSTVSYUATCLHDI-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc(C2CC2)no1 ZINC001440523924 1065947806 /nfs/dbraw/zinc/94/78/06/1065947806.db2.gz XJSJWIIEBCMOFI-UHFFFAOYSA-N -1 1 451.426 4.624 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3cccc(Cl)c3)c2)cc1 ZINC001440534544 1065948411 /nfs/dbraw/zinc/94/84/11/1065948411.db2.gz FJUILPSPNQCARE-UHFFFAOYSA-N -1 1 458.967 4.512 20 0 JJADMM C[C@@H](CSC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001440561867 1065949475 /nfs/dbraw/zinc/94/94/75/1065949475.db2.gz GILAAIIECASJNE-NSHDSACASA-N -1 1 452.907 4.968 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC[C@@H]3CC)c2)cc1 ZINC001440564972 1065949958 /nfs/dbraw/zinc/94/99/58/1065949958.db2.gz XRFOYCSLWQKVMP-KRWDZBQOSA-N -1 1 450.988 4.944 20 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CC(C)c1ccc(CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC001440640764 1065956984 /nfs/dbraw/zinc/95/69/84/1065956984.db2.gz RGSJKWVJTKRJLT-UHFFFAOYSA-N -1 1 455.407 4.586 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2)cc1 ZINC001440681024 1065964812 /nfs/dbraw/zinc/96/48/12/1065964812.db2.gz HCJPBEPGJQKCLP-OAQYLSRUSA-N -1 1 456.564 4.902 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)c([O-])c2)c1 ZINC001441214700 1066015618 /nfs/dbraw/zinc/01/56/18/1066015618.db2.gz GFNDPAPSYDEOIF-FGZHOGPDSA-N -1 1 454.567 4.996 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)cc2)cc1 ZINC001441247074 1066020088 /nfs/dbraw/zinc/02/00/88/1066020088.db2.gz UDBMKZXODDWTTF-GLYQVZKVSA-N -1 1 456.608 4.927 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)o2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441352487 1066031894 /nfs/dbraw/zinc/03/18/94/1066031894.db2.gz NHOIOZVZMOCOIV-UHFFFAOYSA-N -1 1 454.426 4.582 20 0 JJADMM Cc1sc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1-c1ccco1 ZINC001441351654 1066032188 /nfs/dbraw/zinc/03/21/88/1066032188.db2.gz YSRKMEGIEXGHBW-UHFFFAOYSA-N -1 1 453.545 4.694 20 0 JJADMM CC(C)COc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC001441402869 1066037928 /nfs/dbraw/zinc/03/79/28/1066037928.db2.gz HZKZKXNUEJCPCV-UHFFFAOYSA-N -1 1 454.548 4.540 20 0 JJADMM O=C(CCCOc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001441404188 1066038294 /nfs/dbraw/zinc/03/82/94/1066038294.db2.gz ITMKKUAGTZDPJB-UHFFFAOYSA-N -1 1 450.560 4.774 20 0 JJADMM Cc1ccc(NC(=O)C(C)(C)COCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001441427372 1066040888 /nfs/dbraw/zinc/04/08/88/1066040888.db2.gz UBQUJESHMCWSDH-UHFFFAOYSA-N -1 1 452.576 4.977 20 0 JJADMM O=C(Nc1cccc(OC(F)F)c1)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001441497033 1066047069 /nfs/dbraw/zinc/04/70/69/1066047069.db2.gz ORTBXGQIEQJLLJ-UHFFFAOYSA-N -1 1 454.401 4.619 20 0 JJADMM Cc1cccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001441739739 1066065938 /nfs/dbraw/zinc/06/59/38/1066065938.db2.gz IBCPKFGPOXEORW-UHFFFAOYSA-N -1 1 458.967 4.600 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(C)C)cc2)cc1OC ZINC001442011336 1066085242 /nfs/dbraw/zinc/08/52/42/1066085242.db2.gz DRYPJXNVZVMXIE-UHFFFAOYSA-N -1 1 454.548 4.880 20 0 JJADMM O=C(NCCOc1cccc(Cl)c1Cl)c1c([O-])cnc2c(Br)cccc21 ZINC001442113539 1066096047 /nfs/dbraw/zinc/09/60/47/1066096047.db2.gz UGGAOOGEIVMPAF-UHFFFAOYSA-N -1 1 456.123 4.819 20 0 JJADMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001442621089 1066145930 /nfs/dbraw/zinc/14/59/30/1066145930.db2.gz WZKHLNRQPNWTPD-IBGZPJMESA-N -1 1 456.539 4.569 20 0 JJADMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC001442762990 1066158229 /nfs/dbraw/zinc/15/82/29/1066158229.db2.gz HGRMCADKPNRHIA-UHFFFAOYSA-N -1 1 452.576 4.530 20 0 JJADMM Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001442845142 1066230915 /nfs/dbraw/zinc/23/09/15/1066230915.db2.gz WQYKPESJNVYJLU-UHFFFAOYSA-N -1 1 450.894 4.657 20 0 JJADMM CN(C[C@@H]1CC1(C)C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001454062683 1066241586 /nfs/dbraw/zinc/24/15/86/1066241586.db2.gz PUQFQUMLNSTGAV-HNNXBMFYSA-N -1 1 455.407 4.841 20 0 JJADMM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001454256499 1066258196 /nfs/dbraw/zinc/25/81/96/1066258196.db2.gz UZJCKJFCHWFFEQ-KRWDZBQOSA-N -1 1 457.321 4.804 20 0 JJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(I)ccc1N1CCCCC1 ZINC001545954030 1066263422 /nfs/dbraw/zinc/26/34/22/1066263422.db2.gz VMWZNZCOKHCEFK-UHFFFAOYSA-N -1 1 456.711 4.893 20 0 JJADMM CCN1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c2ccccc21 ZINC001443349152 1066297970 /nfs/dbraw/zinc/29/79/70/1066297970.db2.gz CXOWMUPWKVZXND-UHFFFAOYSA-N -1 1 455.967 4.628 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c([O-])c1 ZINC001443404007 1066305989 /nfs/dbraw/zinc/30/59/89/1066305989.db2.gz CSKRYIKBZOHQQW-UHFFFAOYSA-N -1 1 454.523 4.710 20 0 JJADMM O=C([N-]CC[C@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)c2ccccc21)C(F)(F)F ZINC001454915399 1066342225 /nfs/dbraw/zinc/34/22/25/1066342225.db2.gz BYJBZTNVDBEYRS-INIZCTEOSA-N -1 1 459.493 4.547 20 0 JJADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001443919580 1066385947 /nfs/dbraw/zinc/38/59/47/1066385947.db2.gz ZHFVJGLINZJZJW-HSZRJFAPSA-N -1 1 452.551 4.782 20 0 JJADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c(C)c1 ZINC001443947957 1066387396 /nfs/dbraw/zinc/38/73/96/1066387396.db2.gz PAWCGQLFHAGYTA-IBGZPJMESA-N -1 1 454.567 4.913 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NOc2ccccc2F)c1 ZINC001455477225 1066395741 /nfs/dbraw/zinc/39/57/41/1066395741.db2.gz ZVXODNVVRDQUKX-UHFFFAOYSA-N -1 1 456.539 4.956 20 0 JJADMM COCC1(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CCC1 ZINC001455507106 1066399609 /nfs/dbraw/zinc/39/96/09/1066399609.db2.gz WJKCPJSDRKDKHG-UHFFFAOYSA-N -1 1 458.624 4.734 20 0 JJADMM O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001455533216 1066405782 /nfs/dbraw/zinc/40/57/82/1066405782.db2.gz TZNDPIVTGIETSE-NHCUHLMSSA-N -1 1 476.932 4.920 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@](C)(CC)c3ccccc3)cc2)cc1 ZINC001444151428 1066418826 /nfs/dbraw/zinc/41/88/26/1066418826.db2.gz DRBYVFJSRADQEX-RUZDIDTESA-N -1 1 452.576 4.941 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@](C)(CC)c3ccccc3)cc2)cc1 ZINC001444151430 1066418894 /nfs/dbraw/zinc/41/88/94/1066418894.db2.gz DRBYVFJSRADQEX-VWLOTQADSA-N -1 1 452.576 4.941 20 0 JJADMM CCOC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC001444171924 1066425700 /nfs/dbraw/zinc/42/57/00/1066425700.db2.gz PRNGVIOVAOICRC-CQSZACIVSA-N -1 1 451.350 4.840 20 0 JJADMM CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001444204278 1066429039 /nfs/dbraw/zinc/42/90/39/1066429039.db2.gz FRWQROVBWFZRLI-IDCAIIJXSA-N -1 1 458.349 4.923 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(C)(C)C)c2)cc1 ZINC001444211010 1066430000 /nfs/dbraw/zinc/43/00/00/1066430000.db2.gz AAIUDVOENMXKBC-UHFFFAOYSA-N -1 1 454.548 4.926 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)c1C ZINC001546076271 1066432984 /nfs/dbraw/zinc/43/29/84/1066432984.db2.gz JZGLJEZDTGYRRW-LJQANCHMSA-N -1 1 458.624 4.558 20 0 JJADMM CC[C@](C)(NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1)c1nc(C)cs1 ZINC001444255990 1066436793 /nfs/dbraw/zinc/43/67/93/1066436793.db2.gz CUKXNSVWFIAUGT-QHCPKHFHSA-N -1 1 457.621 4.924 20 0 JJADMM CCC(CC)(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001444270410 1066440419 /nfs/dbraw/zinc/44/04/19/1066440419.db2.gz RGNLWUJTVBVSAF-UHFFFAOYSA-N -1 1 453.402 4.949 20 0 JJADMM Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001455927445 1066452518 /nfs/dbraw/zinc/45/25/18/1066452518.db2.gz PEKUMYHWSBZRAN-UHFFFAOYSA-N -1 1 450.923 4.618 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC001444407493 1066459244 /nfs/dbraw/zinc/45/92/44/1066459244.db2.gz LKZMUKGONMCVIB-UHFFFAOYSA-N -1 1 458.942 4.787 20 0 JJADMM Cc1csc(Nc2cccc(NC(=O)c3cc(I)ccc3[O-])c2)n1 ZINC001456070736 1066502052 /nfs/dbraw/zinc/50/20/52/1066502052.db2.gz BWXMPYAVYVOECW-UHFFFAOYSA-N -1 1 451.289 4.758 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCCC12CCC2 ZINC001456077924 1066504627 /nfs/dbraw/zinc/50/46/27/1066504627.db2.gz PKMLJQVERRGNIE-UHFFFAOYSA-N -1 1 453.391 4.882 20 0 JJADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811410 1066508263 /nfs/dbraw/zinc/50/82/63/1066508263.db2.gz NYKHMXYHRPICBU-RTBURBONSA-N -1 1 450.601 4.681 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)c3ccc(F)cc3F)cc2)cc1C ZINC001444816241 1066509019 /nfs/dbraw/zinc/50/90/19/1066509019.db2.gz WMAWJFZDJDTWFO-KRWDZBQOSA-N -1 1 458.530 4.916 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)ccc2C)c1 ZINC001444850292 1066512044 /nfs/dbraw/zinc/51/20/44/1066512044.db2.gz AWMQKDUIVTVTKQ-KRWDZBQOSA-N -1 1 454.523 4.671 20 0 JJADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001444878212 1066515804 /nfs/dbraw/zinc/51/58/04/1066515804.db2.gz DORMRAMRVHJEKC-KRWDZBQOSA-N -1 1 458.530 4.743 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](c3ccc(F)cc3F)C3CC3)cc2)cc1 ZINC001444980571 1066526024 /nfs/dbraw/zinc/52/60/24/1066526024.db2.gz XAMLBZVKUWQKFS-QHCPKHFHSA-N -1 1 456.514 4.955 20 0 JJADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986026 1066526433 /nfs/dbraw/zinc/52/64/33/1066526433.db2.gz LCGTZQNLBIMCSX-RDTXWAMCSA-N -1 1 451.386 4.511 20 0 JJADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986013 1066526515 /nfs/dbraw/zinc/52/65/15/1066526515.db2.gz LCGTZQNLBIMCSX-KBXCAEBGSA-N -1 1 451.386 4.511 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCC3(C)C)c2)cc1 ZINC001445188667 1066544365 /nfs/dbraw/zinc/54/43/65/1066544365.db2.gz UQZSORNRPUDCDG-FQEVSTJZSA-N -1 1 450.988 4.848 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)cc1 ZINC001445370528 1066563270 /nfs/dbraw/zinc/56/32/70/1066563270.db2.gz WWJFUEIVRRPYEN-QFIPXVFZSA-N -1 1 455.555 4.641 20 0 JJADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445429451 1066570468 /nfs/dbraw/zinc/57/04/68/1066570468.db2.gz JYWDUKSVEJPQLT-VQTJNVASSA-N -1 1 450.601 4.729 20 0 JJADMM C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC001445438999 1066571432 /nfs/dbraw/zinc/57/14/32/1066571432.db2.gz ITVKTXOMJDPEOP-LBPRGKRZSA-N -1 1 458.902 4.934 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3COCC[C@H]3c3ccccc3)c2)c1 ZINC001456404171 1066579423 /nfs/dbraw/zinc/57/94/23/1066579423.db2.gz WMIOEZMIBSNIBF-DEOSSOPVSA-N -1 1 450.560 4.666 20 0 JJADMM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC001445542054 1066585892 /nfs/dbraw/zinc/58/58/92/1066585892.db2.gz ZUJPCDVBFYCXRB-QFIPXVFZSA-N -1 1 455.967 4.822 20 0 JJADMM O=C(NCc1ccc2c(c1)COC2)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001445660421 1066599393 /nfs/dbraw/zinc/59/93/93/1066599393.db2.gz ZRUBRXFPKNJHAS-UHFFFAOYSA-N -1 1 457.313 4.912 20 0 JJADMM Cc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2[nH]1 ZINC001445757092 1066614560 /nfs/dbraw/zinc/61/45/60/1066614560.db2.gz YJYABLBJGXLKIL-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM O=C(c1c([O-])cnc2c(Br)cccc21)N(Cc1ccccc1)CC1(O)CCCC1 ZINC001445896721 1066631863 /nfs/dbraw/zinc/63/18/63/1066631863.db2.gz ZRMAFGZIUATMDR-UHFFFAOYSA-N -1 1 455.352 4.650 20 0 JJADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc2c1CCCCC2 ZINC001445996126 1066642517 /nfs/dbraw/zinc/64/25/17/1066642517.db2.gz JHWJQFZMGOEXBS-UHFFFAOYSA-N -1 1 452.551 4.825 20 0 JJADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001445995254 1066642561 /nfs/dbraw/zinc/64/25/61/1066642561.db2.gz AWCVOFAQAIKCBZ-MRXNPFEDSA-N -1 1 458.967 4.550 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4c3cccc4Cl)cc2)cc1 ZINC001446140001 1066664739 /nfs/dbraw/zinc/66/47/39/1066664739.db2.gz OQPMLSXWOXBQBG-UHFFFAOYSA-N -1 1 456.951 4.742 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)c2)c1 ZINC001446145207 1066666016 /nfs/dbraw/zinc/66/60/16/1066666016.db2.gz UMPIJSSLQYBINF-OAQYLSRUSA-N -1 1 456.608 4.716 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCO[C@@H](C)C3)cc2)c1C ZINC001446201249 1066675004 /nfs/dbraw/zinc/67/50/04/1066675004.db2.gz YJSMBYAIXIIQIQ-HTAPYJJXSA-N -1 1 458.624 4.699 20 0 JJADMM O=C(NCCc1cc2ccccc2[nH]1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001446397169 1066701990 /nfs/dbraw/zinc/70/19/90/1066701990.db2.gz OEAKHJAAYPLPBO-UHFFFAOYSA-N -1 1 453.951 4.595 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)c2)c1 ZINC001446425779 1066704091 /nfs/dbraw/zinc/70/40/91/1066704091.db2.gz MDZGLWNJYHSCCA-UHFFFAOYSA-N -1 1 456.474 4.793 20 0 JJADMM COc1cnc([C@H]2CCCN2C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[n-]c1=O ZINC001456847797 1066705284 /nfs/dbraw/zinc/70/52/84/1066705284.db2.gz LYIGOMFXRJKWLD-CQSZACIVSA-N -1 1 451.335 4.598 20 0 JJADMM C[C@@]12CSC[C@@H]1CN(C(=O)c1ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc1[O-])C2 ZINC001456849357 1066705629 /nfs/dbraw/zinc/70/56/29/1066705629.db2.gz CSUXCBZFNZVSIY-YEJXKQKISA-N -1 1 451.375 4.776 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001446540636 1066718243 /nfs/dbraw/zinc/71/82/43/1066718243.db2.gz LMUMJHJRUSTNEH-IBGZPJMESA-N -1 1 455.407 4.710 20 0 JJADMM COc1cccc(C(C)(C)CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])c1 ZINC001446611197 1066725689 /nfs/dbraw/zinc/72/56/89/1066725689.db2.gz GOGRCRKQGSFJIA-UHFFFAOYSA-N -1 1 454.473 4.639 20 0 JJADMM Cc1cccc(O)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001446721781 1066734768 /nfs/dbraw/zinc/73/47/68/1066734768.db2.gz RFPRYVDQBGBZRJ-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3Cc4ccccc4[C@H]3CC)c2)cc1 ZINC001457019785 1066745000 /nfs/dbraw/zinc/74/50/00/1066745000.db2.gz WCHQCPICXCMWDX-XMMPIXPASA-N -1 1 450.560 4.993 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(N(C)C)c3C)c2)cc1 ZINC001446848718 1066748302 /nfs/dbraw/zinc/74/83/02/1066748302.db2.gz YWHPNHXJMUPVNY-UHFFFAOYSA-N -1 1 453.564 4.513 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc4c[nH]nc43)ccc2C)c1 ZINC001457050278 1066751594 /nfs/dbraw/zinc/75/15/94/1066751594.db2.gz WSZLXAIYZLXGBJ-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001446892280 1066754341 /nfs/dbraw/zinc/75/43/41/1066754341.db2.gz OPKSYIAQOQIHSR-UHFFFAOYSA-N -1 1 456.514 4.518 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3OC(C)C)cc2)cc1 ZINC001446965626 1066759388 /nfs/dbraw/zinc/75/93/88/1066759388.db2.gz WXDCGMXXCIUNQK-UHFFFAOYSA-N -1 1 458.511 4.675 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCOc4c(F)cccc43)c2)cc1 ZINC001447015966 1066766112 /nfs/dbraw/zinc/76/61/12/1066766112.db2.gz TTZOUAKARFLQMH-JOCHJYFZSA-N -1 1 454.523 4.579 20 0 JJADMM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001447053189 1066769679 /nfs/dbraw/zinc/76/96/79/1066769679.db2.gz NYWFCBCIRLRKDB-UHFFFAOYSA-N -1 1 456.514 4.965 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccc(Cl)cc4C3)c2)c1 ZINC001447100904 1066772644 /nfs/dbraw/zinc/77/26/44/1066772644.db2.gz FPXGGVJTWWVLTB-UHFFFAOYSA-N -1 1 454.979 4.956 20 0 JJADMM CCc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cnn1CC(C)C ZINC001447260631 1066785648 /nfs/dbraw/zinc/78/56/48/1066785648.db2.gz ARQKFSQXBBOKCW-UHFFFAOYSA-N -1 1 458.559 4.602 20 0 JJADMM C[C@@H](Oc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445363 1066810345 /nfs/dbraw/zinc/81/03/45/1066810345.db2.gz HOTHRZGZDBZMJG-SZNDQCEHSA-N -1 1 451.889 4.652 20 0 JJADMM Cc1cc(C)c2c(c1)CCN(C(=O)c1cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc1C)C2 ZINC001457372387 1066818829 /nfs/dbraw/zinc/81/88/29/1066818829.db2.gz AGVZLYFZOJSMSN-UHFFFAOYSA-N -1 1 452.551 4.750 20 0 JJADMM CS[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl)C(C)(C)C ZINC001447632083 1066832638 /nfs/dbraw/zinc/83/26/38/1066832638.db2.gz IFMRACLSOQDANP-LJQANCHMSA-N -1 1 455.045 4.957 20 0 JJADMM CC(C)CCOc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001447678312 1066840371 /nfs/dbraw/zinc/84/03/71/1066840371.db2.gz JPNUIIZOWATIBG-UHFFFAOYSA-N -1 1 452.576 4.842 20 0 JJADMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC001447785059 1066856406 /nfs/dbraw/zinc/85/64/06/1066856406.db2.gz JJUSUAZQPCFVJX-UHFFFAOYSA-N -1 1 457.958 4.955 20 0 JJADMM COCC1=CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CC1 ZINC001448158305 1066905265 /nfs/dbraw/zinc/90/52/65/1066905265.db2.gz ORCSBELBVSESCT-UHFFFAOYSA-N -1 1 456.608 4.512 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(F)(F)C3)c2)cc1 ZINC001457733102 1066906110 /nfs/dbraw/zinc/90/61/10/1066906110.db2.gz SZTTYLQHOGUFRD-UHFFFAOYSA-N -1 1 456.942 4.965 20 0 JJADMM CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001448226482 1066910806 /nfs/dbraw/zinc/91/08/06/1066910806.db2.gz NQENQAAUTJKQPZ-LLVKDONJSA-N -1 1 451.310 4.709 20 0 JJADMM O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC001457757858 1066913225 /nfs/dbraw/zinc/91/32/25/1066913225.db2.gz BJXVWMBREAEGOO-UHFFFAOYSA-N -1 1 455.902 4.558 20 0 JJADMM CCc1nc(C)c(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)s1 ZINC001457774591 1066916570 /nfs/dbraw/zinc/91/65/70/1066916570.db2.gz QOSBYXOZZSUTMB-UHFFFAOYSA-N -1 1 453.948 4.860 20 0 JJADMM C[C@H]1CCC[C@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308551 1066917206 /nfs/dbraw/zinc/91/72/06/1066917206.db2.gz QJEUZRFHWYVRIJ-HOCLYGCPSA-N -1 1 455.407 4.889 20 0 JJADMM CCCNc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC001457787315 1066919847 /nfs/dbraw/zinc/91/98/47/1066919847.db2.gz KKSMGHHORUSOCW-UHFFFAOYSA-N -1 1 451.592 4.856 20 0 JJADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)c2)o1 ZINC001448437019 1066927109 /nfs/dbraw/zinc/92/71/09/1066927109.db2.gz WEBJTDLVGHPLLX-QGZVFWFLSA-N -1 1 453.800 4.600 20 0 JJADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001457901680 1066938943 /nfs/dbraw/zinc/93/89/43/1066938943.db2.gz FGXCEDSBXSHYGC-YOEHRIQHSA-N -1 1 475.349 4.709 20 0 JJADMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cnn1C1CCCC1 ZINC001448617880 1066942794 /nfs/dbraw/zinc/94/27/94/1066942794.db2.gz BTDFZWMLQKDTTG-UHFFFAOYSA-N -1 1 452.580 4.977 20 0 JJADMM Cc1scc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)c1C ZINC001457965580 1066949132 /nfs/dbraw/zinc/94/91/32/1066949132.db2.gz BEROKGGLSVWLPT-UHFFFAOYSA-N -1 1 452.960 4.888 20 0 JJADMM CO[C@H]1CCOc2c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cccc21 ZINC001448757367 1066955890 /nfs/dbraw/zinc/95/58/90/1066955890.db2.gz SLKKQVOHTLQBCZ-QFIPXVFZSA-N -1 1 452.532 4.518 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCCC2CCC(F)(F)CC2)c1 ZINC001458035171 1066958966 /nfs/dbraw/zinc/95/89/66/1066958966.db2.gz SKCQWIVKWOWPHS-UHFFFAOYSA-N -1 1 454.514 4.880 20 0 JJADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(-c2ccco2)s1 ZINC001545695145 1066962637 /nfs/dbraw/zinc/96/26/37/1066962637.db2.gz HKVAEJOHCLBUMM-UHFFFAOYSA-N -1 1 456.520 4.878 20 0 JJADMM CCOc1cc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc(Cl)c1[O-] ZINC001448882479 1066966913 /nfs/dbraw/zinc/96/69/13/1066966913.db2.gz BJSOIKKOTOJYGS-INIZCTEOSA-N -1 1 453.764 4.924 20 0 JJADMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961366 1066973106 /nfs/dbraw/zinc/97/31/06/1066973106.db2.gz BYZAEFFDEQKJAR-PGRDOPGGSA-N -1 1 456.514 4.832 20 0 JJADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203710 1066989380 /nfs/dbraw/zinc/98/93/80/1066989380.db2.gz MKXDREOJHJYXAC-HOYKHHGWSA-N -1 1 452.551 4.779 20 0 JJADMM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC001449404588 1067007375 /nfs/dbraw/zinc/00/73/75/1067007375.db2.gz HLYMZMQKCJSOLW-LJQANCHMSA-N -1 1 457.395 4.774 20 0 JJADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)c1 ZINC001449475665 1067010886 /nfs/dbraw/zinc/01/08/86/1067010886.db2.gz TZLYYVHDWTUWRP-UHFFFAOYSA-N -1 1 456.505 4.506 20 0 JJADMM CC(C)(NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)C1CCC1 ZINC001449892517 1067034625 /nfs/dbraw/zinc/03/46/25/1067034625.db2.gz VQJWHLPSGCSEFB-UHFFFAOYSA-N -1 1 451.386 4.558 20 0 JJADMM Cc1cc(C(=O)Nc2cccc([O-])c2Br)nn1-c1ccc(Br)cc1 ZINC001449936949 1067038444 /nfs/dbraw/zinc/03/84/44/1067038444.db2.gz KYUBVEGFEITALW-UHFFFAOYSA-N -1 1 451.118 4.664 20 0 JJADMM CCCn1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1C1CC1 ZINC001449954741 1067038781 /nfs/dbraw/zinc/03/87/81/1067038781.db2.gz ZVRJGMONCUWXSJ-UHFFFAOYSA-N -1 1 458.971 4.877 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC001450009413 1067041331 /nfs/dbraw/zinc/04/13/31/1067041331.db2.gz SQJHDLJHVGCNPU-GJZGRUSLSA-N -1 1 458.477 4.738 20 0 JJADMM CCCCN1CCc2ccc(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3[O-])cc21 ZINC001545762427 1067046295 /nfs/dbraw/zinc/04/62/95/1067046295.db2.gz MFAJALVQAGATQR-UHFFFAOYSA-N -1 1 451.445 4.918 20 0 JJADMM Cc1cnc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001450112548 1067050140 /nfs/dbraw/zinc/05/01/40/1067050140.db2.gz NYASCWSHFUBAOF-UHFFFAOYSA-N -1 1 459.955 4.884 20 0 JJADMM CCC1(CC)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001450190433 1067058418 /nfs/dbraw/zinc/05/84/18/1067058418.db2.gz GPYOMAMQZSVDNC-UHFFFAOYSA-N -1 1 451.386 4.512 20 0 JJADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450269901 1067067046 /nfs/dbraw/zinc/06/70/46/1067067046.db2.gz KGLZBPSNPFKNFA-NRFANRHFSA-N -1 1 456.514 4.689 20 0 JJADMM CCCCCOc1cc(C)ccc1CNC(=O)c1ccc(I)c([O-])c1 ZINC001545775121 1067068184 /nfs/dbraw/zinc/06/81/84/1067068184.db2.gz MICZUOPSIFUSLN-UHFFFAOYSA-N -1 1 453.320 4.804 20 0 JJADMM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001450337868 1067071450 /nfs/dbraw/zinc/07/14/50/1067071450.db2.gz SKBFTFRGYAXQSX-UHFFFAOYSA-N -1 1 450.539 4.596 20 0 JJADMM CCN(CC(=O)Nc1cc([O-])c(F)cc1F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001450894590 1067133638 /nfs/dbraw/zinc/13/36/38/1067133638.db2.gz HZLFMBJBJWEGTJ-UHFFFAOYSA-N -1 1 452.457 4.880 20 0 JJADMM COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc([O-])c(F)cc2F)cc1OC ZINC001450900301 1067134638 /nfs/dbraw/zinc/13/46/38/1067134638.db2.gz NGRQMGHGHGCCSN-UHFFFAOYSA-N -1 1 451.429 4.793 20 0 JJADMM C[C@H](CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])CC(F)(F)F ZINC001451629593 1067180842 /nfs/dbraw/zinc/18/08/42/1067180842.db2.gz DFEWCOGULRMOET-NSHDSACASA-N -1 1 459.262 4.725 20 0 JJADMM Cc1nc(C2CC2)ccc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001546105409 1067226730 /nfs/dbraw/zinc/22/67/30/1067226730.db2.gz GZHKSYGOBIAFRK-UHFFFAOYSA-N -1 1 457.939 4.680 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cc2ccncc2s1 ZINC001546105430 1067227287 /nfs/dbraw/zinc/22/72/87/1067227287.db2.gz HQGPHXLRLFUGEE-UHFFFAOYSA-N -1 1 459.936 4.708 20 0 JJADMM CC(C)C[C@H](C)OCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105437 1067227637 /nfs/dbraw/zinc/22/76/37/1067227637.db2.gz HZFIZUCLLDAXEV-HNNXBMFYSA-N -1 1 454.976 4.626 20 0 JJADMM CCOC(=O)c1c(C[C@H](C)CC)c(C)sc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC001459012454 1067228793 /nfs/dbraw/zinc/22/87/93/1067228793.db2.gz AWIUNWLCLHEUBL-LLVKDONJSA-N -1 1 451.614 4.665 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2Nc2ccc(C)cc2)c1 ZINC001546105543 1067230273 /nfs/dbraw/zinc/23/02/73/1067230273.db2.gz MWTWGLCIWAMOLY-UHFFFAOYSA-N -1 1 453.564 4.727 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccc(F)c(F)c1F ZINC001546105749 1067233831 /nfs/dbraw/zinc/23/38/31/1067233831.db2.gz VAKAGMQZCQHNIK-UHFFFAOYSA-N -1 1 456.829 4.516 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@]4(CC4(F)F)C3)c2)c1 ZINC001452759305 1067249116 /nfs/dbraw/zinc/24/91/16/1067249116.db2.gz AMPNCCMFSSISQF-FQEVSTJZSA-N -1 1 454.926 4.711 20 0 JJADMM CC[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@H](C)CO1 ZINC001452777573 1067251185 /nfs/dbraw/zinc/25/11/85/1067251185.db2.gz QPLNAMMTYYRLOF-CMJOXMDJSA-N -1 1 458.624 4.669 20 0 JJADMM CC[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@@H](C)CO1 ZINC001452777580 1067251307 /nfs/dbraw/zinc/25/13/07/1067251307.db2.gz QPLNAMMTYYRLOF-WNSKOXEYSA-N -1 1 458.624 4.669 20 0 JJADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCC[C@@H]1Cc1ccccc1F ZINC001452944154 1067265975 /nfs/dbraw/zinc/26/59/75/1067265975.db2.gz PIYLYLAZFGTXGI-JOCHJYFZSA-N -1 1 452.551 4.864 20 0 JJADMM COc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC001452984580 1067270479 /nfs/dbraw/zinc/27/04/79/1067270479.db2.gz PJBRDXNYYUEPHV-UHFFFAOYSA-N -1 1 455.308 4.692 20 0 JJADMM CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001453119706 1067280361 /nfs/dbraw/zinc/28/03/61/1067280361.db2.gz QYPSKCDVBDRNIS-FPOVZHCZSA-N -1 1 474.985 4.967 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@H](CCF)C3)c2)cc1C ZINC001453448403 1067306677 /nfs/dbraw/zinc/30/66/77/1067306677.db2.gz SNLQVGDPECFBQI-QGZVFWFLSA-N -1 1 452.979 4.969 20 0 JJADMM Cc1ccc2oc(CNC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)cc2c1 ZINC001453496187 1067309249 /nfs/dbraw/zinc/30/92/49/1067309249.db2.gz GZDACRKEYPOWQV-UHFFFAOYSA-N -1 1 452.507 4.920 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532281 1067311191 /nfs/dbraw/zinc/31/11/91/1067311191.db2.gz AUEFDPMJQMIDRI-FYYLOGMGSA-N -1 1 456.608 4.526 20 0 JJADMM Cc1ccc(C(=O)N[C@@H]2CCc3ccc(O)cc32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001453643373 1067320524 /nfs/dbraw/zinc/32/05/24/1067320524.db2.gz QKHRZWHYGPRJRZ-OAQYLSRUSA-N -1 1 456.951 4.572 20 0 JJADMM CCc1oc2ccccc2c1CC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453679859 1067321792 /nfs/dbraw/zinc/32/17/92/1067321792.db2.gz HFYYKHFCHUWBFK-YLJYHZDGSA-N -1 1 458.480 4.601 20 0 JJADMM Cc1ccc(CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H]2CCCO2)c(Br)c1 ZINC001460032770 1067534935 /nfs/dbraw/zinc/53/49/35/1067534935.db2.gz GAZRXUCKBUMKBG-LJQANCHMSA-N -1 1 458.352 4.751 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC=C(c4ccccc4)C3)c2)c1 ZINC001546120345 1067752040 /nfs/dbraw/zinc/75/20/40/1067752040.db2.gz KREOGDAARTVIPV-UHFFFAOYSA-N -1 1 452.963 4.989 20 0 JJADMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001461024151 1067764021 /nfs/dbraw/zinc/76/40/21/1067764021.db2.gz CQDQACZFPPJPPT-CXAGYDPISA-N -1 1 458.402 4.520 20 0 JJADMM O=C(CC[C@H]1CCc2ccccc21)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001461419764 1067852182 /nfs/dbraw/zinc/85/21/82/1067852182.db2.gz PPIKDUNDAYATJD-WTNAPCKOSA-N -1 1 462.487 4.699 20 0 JJADMM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[N-]c1nc(C2CCOCC2)ns1 ZINC001462182077 1068023820 /nfs/dbraw/zinc/02/38/20/1068023820.db2.gz ZMAGWNOCUDMEFP-UHFFFAOYSA-N -1 1 450.973 4.682 20 0 JJADMM CCC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001546132302 1068093788 /nfs/dbraw/zinc/09/37/88/1068093788.db2.gz DCFKBOKRIZMPMV-UHFFFAOYSA-N -1 1 469.939 4.684 20 0 JJADMM Cc1ccc(CSCC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC001462746080 1068153153 /nfs/dbraw/zinc/15/31/53/1068153153.db2.gz ZPLMWRXKUOSWAS-UHFFFAOYSA-N -1 1 452.798 4.762 20 0 JJADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)c1F ZINC001462789079 1068168021 /nfs/dbraw/zinc/16/80/21/1068168021.db2.gz ANAZMXSCMRZCPS-SFHVURJKSA-N -1 1 457.907 4.534 20 0 JJADMM CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546134655 1068194421 /nfs/dbraw/zinc/19/44/21/1068194421.db2.gz DJTYLYIILWCYNY-LPHOPBHVSA-N -1 1 458.839 4.684 20 0 JJADMM O=S(=O)([N-]CCOc1ccccc1-c1ccccc1)c1cnc(Cl)cc1C(F)(F)F ZINC001462932607 1068219863 /nfs/dbraw/zinc/21/98/63/1068219863.db2.gz XADMLCFSGFBBFG-UHFFFAOYSA-N -1 1 456.873 4.778 20 0 JJADMM COc1ccc([C@@H](Cc2ccc(F)cc2)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001462951411 1068227065 /nfs/dbraw/zinc/22/70/65/1068227065.db2.gz WAFXBNXJVXHWRX-GOSISDBHSA-N -1 1 455.338 4.798 20 0 JJADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957252 1068229467 /nfs/dbraw/zinc/22/94/67/1068229467.db2.gz DIAGVEAZPDLMMC-SMDDNHRTSA-N -1 1 454.770 4.502 20 0 JJADMM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccco1 ZINC001462993129 1068242606 /nfs/dbraw/zinc/24/26/06/1068242606.db2.gz SZEZXQRJLAENSS-MRXNPFEDSA-N -1 1 450.782 4.529 20 0 JJADMM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccco1 ZINC001462994006 1068242732 /nfs/dbraw/zinc/24/27/32/1068242732.db2.gz WJRANLHRRHPBBF-INIZCTEOSA-N -1 1 450.782 4.529 20 0 JJADMM O=S(=O)([N-][C@H](c1ccccc1)C1CCOCC1)c1cc(Br)sc1Cl ZINC001463099887 1068286792 /nfs/dbraw/zinc/28/67/92/1068286792.db2.gz WKCFODYLGAXMGX-OAHLLOKOSA-N -1 1 450.807 4.610 20 0 JJADMM CC[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001463193483 1068316276 /nfs/dbraw/zinc/31/62/76/1068316276.db2.gz KDVSPHKGZRRHPZ-GFCCVEGCSA-N -1 1 454.283 4.907 20 0 JJADMM O=S(=O)([N-][C@H]1COc2ccc(Cl)cc21)c1cc(Br)c(Cl)cc1Cl ZINC001463314922 1068353322 /nfs/dbraw/zinc/35/33/22/1068353322.db2.gz OJMMDTCKJBVLMY-LBPRGKRZSA-N -1 1 457.560 4.821 20 0 JJADMM CC(C)(C)OC(=O)N(CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CCCCCC1 ZINC001463336597 1068360497 /nfs/dbraw/zinc/36/04/97/1068360497.db2.gz NBUAJNNEUVLPIC-UHFFFAOYSA-N -1 1 454.564 4.810 20 0 JJADMM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c(Cl)cccc1C(F)(F)F ZINC001463429860 1068395147 /nfs/dbraw/zinc/39/51/47/1068395147.db2.gz BYCHZNAAJIBOBC-JTQLQIEISA-N -1 1 457.276 4.709 20 0 JJADMM CC(C)c1cccc(O[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c2ccccc2)c1 ZINC001463469725 1068411612 /nfs/dbraw/zinc/41/16/12/1068411612.db2.gz UITAQSAUZFEBCS-VOQZNFBZSA-N -1 1 462.512 4.846 20 0 JJADMM O=S(=O)([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[nH]c2ncc(Cl)cc12 ZINC001463503667 1068421017 /nfs/dbraw/zinc/42/10/17/1068421017.db2.gz JDPLXDUOWNSZSD-CYBMUJFWSA-N -1 1 457.783 4.817 20 0 JJADMM Cc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463566165 1068447389 /nfs/dbraw/zinc/44/73/89/1068447389.db2.gz XNGWNXBUEFBGDJ-MGPUTAFESA-N -1 1 450.988 4.983 20 0 JJADMM COc1cc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccc1C ZINC001463566157 1068447531 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458.555 4.747 20 0 JJADMM Cc1nc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)nn1-c1c(Cl)cccc1Cl ZINC001360071388 1064917606 /nfs/dbraw/zinc/91/76/06/1064917606.db2.gz YOMNRXYNABTEHF-UHFFFAOYSA-N -1 1 459.362 4.886 20 0 JJADMM CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001360083397 1064945405 /nfs/dbraw/zinc/94/54/05/1064945405.db2.gz FWOXWIPNIZHINW-QFIPXVFZSA-N -1 1 472.655 4.714 20 0 JJADMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(Oc2cccc(OC)c2)cn1 ZINC001436247009 1065273636 /nfs/dbraw/zinc/27/36/36/1065273636.db2.gz MWOBMLPHFUECHY-UHFFFAOYSA-N -1 1 459.458 4.967 20 0 JJADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1Sc1ccc(Br)cn1 ZINC001436670079 1065420878 /nfs/dbraw/zinc/42/08/78/1065420878.db2.gz IHBLRFBFIPINKT-UHFFFAOYSA-N -1 1 457.353 4.622 20 0 JJADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437475260 1065559261 /nfs/dbraw/zinc/55/92/61/1065559261.db2.gz MOOBPEOJMDVZBE-YSCIFQABSA-N -1 1 472.523 4.563 20 0 JJADMM 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O=C(NCc1ccc(OCC(F)(F)F)cc1)c1c([O-])cnc2c(Br)cccc21 ZINC001440822758 1065981535 /nfs/dbraw/zinc/98/15/35/1065981535.db2.gz BMNASERSKTWSJM-UHFFFAOYSA-N -1 1 455.230 4.574 20 0 JJADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(Br)c1 ZINC001440833857 1065982988 /nfs/dbraw/zinc/98/29/88/1065982988.db2.gz NBPNCCFAUGYLQA-OAHLLOKOSA-N -1 1 459.365 4.992 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)c([O-])c2)c1 ZINC001441214708 1066015510 /nfs/dbraw/zinc/01/55/10/1066015510.db2.gz GFNDPAPSYDEOIF-VXKWHMMOSA-N -1 1 454.567 4.996 20 0 JJADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC001441223861 1066016407 /nfs/dbraw/zinc/01/64/07/1066016407.db2.gz MJVUDEWTOGDRNI-UXHICEINSA-N -1 1 458.580 4.551 20 0 JJADMM COc1ccc(-c2cncc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4)c3)c2)cc1 ZINC001441406746 1066038472 /nfs/dbraw/zinc/03/84/72/1066038472.db2.gz PCTBKQLGNYWTFD-UHFFFAOYSA-N -1 1 459.527 4.810 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1csc(NC2CCCCC2)n1 ZINC001441406522 1066038495 /nfs/dbraw/zinc/03/84/95/1066038495.db2.gz NALXBWIIWKTJSR-UHFFFAOYSA-N -1 1 456.593 4.941 20 0 JJADMM CCN(CC)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cn1 ZINC001441479400 1066045660 /nfs/dbraw/zinc/04/56/60/1066045660.db2.gz GHGVJOKDELCYKC-UHFFFAOYSA-N -1 1 452.580 4.598 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(c4ccc(F)cc4)CC3)c2)c1 ZINC001441606069 1066053004 /nfs/dbraw/zinc/05/30/04/1066053004.db2.gz SCGOLWUQQMDJCI-UHFFFAOYSA-N -1 1 452.551 4.705 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)COc3cccc(C)c3)ccc2C)cc1 ZINC001441993826 1066085008 /nfs/dbraw/zinc/08/50/08/1066085008.db2.gz XUSSRLXBVWKRFA-FQEVSTJZSA-N -1 1 452.576 4.610 20 0 JJADMM CC[C@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545950411 1066144014 /nfs/dbraw/zinc/14/40/14/1066144014.db2.gz PQUHUURUYHFQRT-LPHOPBHVSA-N -1 1 499.553 4.683 20 0 JJADMM CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)Oc1cccc(F)c1 ZINC001545950412 1066144312 /nfs/dbraw/zinc/14/43/12/1066144312.db2.gz PQUHUURUYHFQRT-QFBILLFUSA-N -1 1 499.553 4.683 20 0 JJADMM COC(=O)CCCc1nnc([N-]C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)s1 ZINC001361016762 1066204928 /nfs/dbraw/zinc/20/49/28/1066204928.db2.gz TVBQRYWHSJBTGH-UHFFFAOYSA-N -1 1 455.323 4.556 20 0 JJADMM CC(C)(C)OCc1cccc(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c1 ZINC001442796205 1066222730 /nfs/dbraw/zinc/22/27/30/1066222730.db2.gz IFMPEMLIVRUBLQ-UHFFFAOYSA-N -1 1 454.445 4.748 20 0 JJADMM COc1cccc(C2(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)CCC2)c1 ZINC001453979165 1066228517 /nfs/dbraw/zinc/22/85/17/1066228517.db2.gz PJQLHDQHWFFNJR-UHFFFAOYSA-N -1 1 450.560 4.614 20 0 JJADMM COCc1c(Br)cccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001442870718 1066234438 /nfs/dbraw/zinc/23/44/38/1066234438.db2.gz CUQXASYZUIORQR-UHFFFAOYSA-N -1 1 451.317 4.900 20 0 JJADMM Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001546058652 1066254016 /nfs/dbraw/zinc/25/40/16/1066254016.db2.gz VPAASKLFXUSSHH-UHFFFAOYSA-N -1 1 455.555 4.870 20 0 JJADMM COc1cccc([C@H](C)CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC001443020717 1066254380 /nfs/dbraw/zinc/25/43/80/1066254380.db2.gz FQUIUNMVQPFFRC-LJQANCHMSA-N -1 1 452.576 4.648 20 0 JJADMM CCSc1ccccc1CC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001443023661 1066255526 /nfs/dbraw/zinc/25/55/26/1066255526.db2.gz QHSJXTINENLZKF-UHFFFAOYSA-N -1 1 454.617 4.801 20 0 JJADMM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001443186007 1066277952 /nfs/dbraw/zinc/27/79/52/1066277952.db2.gz KLQJZMIVUQTIMX-HXUWFJFHSA-N -1 1 458.530 4.907 20 0 JJADMM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001454456349 1066284137 /nfs/dbraw/zinc/28/41/37/1066284137.db2.gz LUJDECQFGUYWHG-UHFFFAOYSA-N -1 1 459.974 4.883 20 0 JJADMM CSCCc1ccccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454584214 1066304830 /nfs/dbraw/zinc/30/48/30/1066304830.db2.gz PSYGEOWMMHBYFR-UHFFFAOYSA-N -1 1 458.580 4.713 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2ccc(F)cc2)c1 ZINC001443405369 1066306895 /nfs/dbraw/zinc/30/68/95/1066306895.db2.gz KGLGJEJVUSCKSQ-UHFFFAOYSA-N -1 1 454.567 4.951 20 0 JJADMM COc1ccccc1C(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC001443416563 1066308565 /nfs/dbraw/zinc/30/85/65/1066308565.db2.gz OZYYHUQDJQXTHV-UHFFFAOYSA-N -1 1 452.576 4.778 20 0 JJADMM O=C(c1cc(I)ccc1[O-])N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001454627807 1066311858 /nfs/dbraw/zinc/31/18/58/1066311858.db2.gz WMFDMBLLOCISQO-GOSISDBHSA-N -1 1 455.295 4.811 20 0 JJADMM CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001454715503 1066325444 /nfs/dbraw/zinc/32/54/44/1066325444.db2.gz HGXDJMKUSDUESN-UHFFFAOYSA-N -1 1 452.576 4.857 20 0 JJADMM Cc1ccc(C(=O)Nc2ccnn2CC2CCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001455005984 1066351819 /nfs/dbraw/zinc/35/18/19/1066351819.db2.gz MUTXVCXQOZSUQN-UHFFFAOYSA-N -1 1 458.971 4.698 20 0 JJADMM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001455095527 1066359387 /nfs/dbraw/zinc/35/93/87/1066359387.db2.gz UTTOODKODXBTSS-UHFFFAOYSA-N -1 1 453.951 4.894 20 0 JJADMM Cc1nc2c(s1)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc1C)CCC2 ZINC001546069284 1066365307 /nfs/dbraw/zinc/36/53/07/1066365307.db2.gz JBQQBMBKJUGXSM-HXUWFJFHSA-N -1 1 459.568 4.507 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[C@H]3CCCCO3)cc2)c(C)c1C ZINC001546069804 1066368618 /nfs/dbraw/zinc/36/86/18/1066368618.db2.gz WBGRKEUYAPLTKV-HSZRJFAPSA-N -1 1 458.624 4.719 20 0 JJADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c(C)c1 ZINC001443947965 1066387523 /nfs/dbraw/zinc/38/75/23/1066387523.db2.gz PAWCGQLFHAGYTA-LJQANCHMSA-N -1 1 454.567 4.913 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)Nc2ccc(Br)c(F)c2)c1)OCC(F)(F)F ZINC001443998015 1066392949 /nfs/dbraw/zinc/39/29/49/1066392949.db2.gz XYUSQYKEBSTOKC-UHFFFAOYSA-N -1 1 451.170 4.657 20 0 JJADMM COc1ccc([C@H](C)CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001444018434 1066394645 /nfs/dbraw/zinc/39/46/45/1066394645.db2.gz CSPWFLVLMBKHGH-QGZVFWFLSA-N -1 1 456.539 4.559 20 0 JJADMM C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC001444061452 1066398219 /nfs/dbraw/zinc/39/82/19/1066398219.db2.gz HIIHYLBHHYBWGB-JPYJTQIMSA-N -1 1 452.601 4.806 20 0 JJADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507721 1066399782 /nfs/dbraw/zinc/39/97/82/1066399782.db2.gz AIEFLYROTAFLTE-AVRDEDQJSA-N -1 1 458.599 4.839 20 0 JJADMM COc1ccc([C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])c2ccc(OC)cc2OC)cc1 ZINC001444081228 1066400824 /nfs/dbraw/zinc/40/08/24/1066400824.db2.gz KVKALJBDLWJYFZ-RUZDIDTESA-N -1 1 459.498 4.796 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)ccc2C)c1 ZINC001444126462 1066410218 /nfs/dbraw/zinc/41/02/18/1066410218.db2.gz WRSKCAFHEJUYFW-REWPJTCUSA-N -1 1 458.624 4.675 20 0 JJADMM CC[C@@](C)(NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1)c1nc(C)cs1 ZINC001444255983 1066436842 /nfs/dbraw/zinc/43/68/42/1066436842.db2.gz CUKXNSVWFIAUGT-HSZRJFAPSA-N -1 1 457.621 4.924 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1 ZINC001444296503 1066444671 /nfs/dbraw/zinc/44/46/71/1066444671.db2.gz LSFDXJKNQLTYOA-UHFFFAOYSA-N -1 1 452.551 4.955 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)Cc3ccc(C)s3)c2)cc1 ZINC001444318710 1066448092 /nfs/dbraw/zinc/44/80/92/1066448092.db2.gz DCFDBCWYXPHNLU-MRXNPFEDSA-N -1 1 458.605 4.617 20 0 JJADMM CCCN(C(=O)c1ccc(I)cc1[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001444322137 1066448728 /nfs/dbraw/zinc/44/87/28/1066448728.db2.gz HGHLOLGHXNBLAC-MSOLQXFVSA-N -1 1 457.352 4.587 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3NC(C)C)cc2)cc1 ZINC001444412609 1066460119 /nfs/dbraw/zinc/46/01/19/1066460119.db2.gz MXAAXUWHMFLZFD-UHFFFAOYSA-N -1 1 457.527 4.708 20 0 JJADMM Cc1cccc(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC001444602240 1066480893 /nfs/dbraw/zinc/48/08/93/1066480893.db2.gz GQPDRNPQVMENKV-UHFFFAOYSA-N -1 1 450.347 4.774 20 0 JJADMM CSc1ccc(F)cc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001444679660 1066492716 /nfs/dbraw/zinc/49/27/16/1066492716.db2.gz BKPJAWHOFVCPBM-UHFFFAOYSA-N -1 1 458.580 4.895 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)Oc3cccc(Cl)c3)c2)cc1 ZINC001444680760 1066492910 /nfs/dbraw/zinc/49/29/10/1066492910.db2.gz BKHFHHHWAWAPPO-KRWDZBQOSA-N -1 1 458.967 4.647 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3ccc(Br)cc3)c2)c1 ZINC001456077998 1066504531 /nfs/dbraw/zinc/50/45/31/1066504531.db2.gz LBFGGZYWBRFEGM-UHFFFAOYSA-N -1 1 459.365 4.835 20 0 JJADMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001444807178 1066506450 /nfs/dbraw/zinc/50/64/50/1066506450.db2.gz SUQCZUMGTKCIMH-QMHKHESXSA-N -1 1 456.514 4.989 20 0 JJADMM CC(C)c1nc2ccccn2c1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001456169382 1066527488 /nfs/dbraw/zinc/52/74/88/1066527488.db2.gz DKKKBNSVHAVWDU-UHFFFAOYSA-N -1 1 452.511 4.650 20 0 JJADMM Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001456196851 1066534699 /nfs/dbraw/zinc/53/46/99/1066534699.db2.gz VOIUHZQZBSNCGR-UHFFFAOYSA-N -1 1 451.448 4.943 20 0 JJADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)C1(C)C ZINC001445077954 1066536812 /nfs/dbraw/zinc/53/68/12/1066536812.db2.gz BFOZKVAAWZDSMR-UHFFFAOYSA-N -1 1 451.386 4.511 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445164696 1066541761 /nfs/dbraw/zinc/54/17/61/1066541761.db2.gz PKZMMLBHHJOFRE-OALUTQOASA-N -1 1 452.576 4.808 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC001445271093 1066551469 /nfs/dbraw/zinc/55/14/69/1066551469.db2.gz KCNKCEWWTHBKMF-JOCHJYFZSA-N -1 1 458.562 4.529 20 0 JJADMM CCCOC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCCCC1 ZINC001445326086 1066557050 /nfs/dbraw/zinc/55/70/50/1066557050.db2.gz NTEHNYCUYJWAAD-UHFFFAOYSA-N -1 1 458.624 4.964 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC001456300153 1066557902 /nfs/dbraw/zinc/55/79/02/1066557902.db2.gz XUQYUSLJELWQEL-KSMLVUNXSA-N -1 1 458.411 4.877 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)Cc3cccs3)cc2)cc1 ZINC001445366123 1066563420 /nfs/dbraw/zinc/56/34/20/1066563420.db2.gz LZYYBDSTWDRRCM-QGZVFWFLSA-N -1 1 458.605 4.651 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)Cc3cccs3)cc2)cc1 ZINC001445366120 1066563441 /nfs/dbraw/zinc/56/34/41/1066563441.db2.gz LZYYBDSTWDRRCM-KRWDZBQOSA-N -1 1 458.605 4.651 20 0 JJADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445374983 1066564418 /nfs/dbraw/zinc/56/44/18/1066564418.db2.gz HLRHXTSIIWHBAP-GHTZIAJQSA-N -1 1 452.551 4.720 20 0 JJADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445375002 1066564435 /nfs/dbraw/zinc/56/44/35/1066564435.db2.gz HLRHXTSIIWHBAP-WIYYLYMNSA-N -1 1 452.551 4.720 20 0 JJADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445374988 1066564566 /nfs/dbraw/zinc/56/45/66/1066564566.db2.gz HLRHXTSIIWHBAP-NQIIRXRSSA-N -1 1 452.551 4.720 20 0 JJADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445374995 1066564585 /nfs/dbraw/zinc/56/45/85/1066564585.db2.gz HLRHXTSIIWHBAP-RXVVDRJESA-N -1 1 452.551 4.720 20 0 JJADMM CCOC[C@@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 ZINC001445408186 1066568205 /nfs/dbraw/zinc/56/82/05/1066568205.db2.gz ZDTOGPXOHDJHMQ-LJQANCHMSA-N -1 1 458.624 4.592 20 0 JJADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445429443 1066570295 /nfs/dbraw/zinc/57/02/95/1066570295.db2.gz JYWDUKSVEJPQLT-UXHICEINSA-N -1 1 450.601 4.729 20 0 JJADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445429459 1066570557 /nfs/dbraw/zinc/57/05/57/1066570557.db2.gz JYWDUKSVEJPQLT-WOJBJXKFSA-N -1 1 450.601 4.729 20 0 JJADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001445587071 1066592291 /nfs/dbraw/zinc/59/22/91/1066592291.db2.gz NHUNLAKUCNORNJ-INIZCTEOSA-N -1 1 456.951 4.532 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3c(C)cccc3C)cc2)cc1 ZINC001456482496 1066595325 /nfs/dbraw/zinc/59/53/25/1066595325.db2.gz XJZZXIUDEAOBTG-UHFFFAOYSA-N -1 1 452.576 4.775 20 0 JJADMM O=C(CCSCc1ccccc1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001446005855 1066645109 /nfs/dbraw/zinc/64/51/09/1066645109.db2.gz RWHTUJRFZKAFGS-UHFFFAOYSA-N -1 1 458.580 4.566 20 0 JJADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674072 1066664508 /nfs/dbraw/zinc/66/45/08/1066664508.db2.gz TTXPVPCSTWNLBF-CJNGLKHVSA-N -1 1 458.527 4.520 20 0 JJADMM C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674079 1066664542 /nfs/dbraw/zinc/66/45/42/1066664542.db2.gz TTXPVPCSTWNLBF-XJKSGUPXSA-N -1 1 458.527 4.520 20 0 JJADMM O=C(c1ccc(I)cc1[O-])N(CCc1cccc(F)c1)C1CCCC1 ZINC001446143231 1066665248 /nfs/dbraw/zinc/66/52/48/1066665248.db2.gz UJHHXQLOULLUHO-UHFFFAOYSA-N -1 1 453.295 4.763 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NCC1(C2CC2)CC1 ZINC001446541769 1066718923 /nfs/dbraw/zinc/71/89/23/1066718923.db2.gz YRZBONIUIYOPRY-UHFFFAOYSA-N -1 1 453.391 4.643 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456965621 1066731675 /nfs/dbraw/zinc/73/16/75/1066731675.db2.gz AUWFSOJKKLSMIU-QFIPXVFZSA-N -1 1 454.979 4.655 20 0 JJADMM Cc1nc2c(cccc2C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])o1 ZINC001446709061 1066733010 /nfs/dbraw/zinc/73/30/10/1066733010.db2.gz JCESYDNKJROBSY-UHFFFAOYSA-N -1 1 457.895 4.548 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1c(F)cccc1Cl ZINC001446711357 1066733062 /nfs/dbraw/zinc/73/30/62/1066733062.db2.gz MXOVQRRSSUAYII-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM CCCCC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OCC)cc3)ccc2Cl)CC1 ZINC001456986677 1066735990 /nfs/dbraw/zinc/73/59/90/1066735990.db2.gz MFJOATZLAVFMIQ-UHFFFAOYSA-N -1 1 450.988 4.992 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C)(COC)CC3)c2)cc1 ZINC001446891761 1066754186 /nfs/dbraw/zinc/75/41/86/1066754186.db2.gz FCAVSISGYSUADB-UHFFFAOYSA-N -1 1 458.624 4.719 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001446906032 1066755433 /nfs/dbraw/zinc/75/54/33/1066755433.db2.gz DJLUZKNLZJFCHG-RBUKOAKNSA-N -1 1 458.624 4.638 20 0 JJADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC001447301016 1066789449 /nfs/dbraw/zinc/78/94/49/1066789449.db2.gz HZXQHAPADPYHCA-UHFFFAOYSA-N -1 1 454.548 4.597 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@H](C)c4cccc(O)c43)ccc2C)cc1 ZINC001447360290 1066797941 /nfs/dbraw/zinc/79/79/41/1066797941.db2.gz NHUUBTRAHKCMTP-KRWDZBQOSA-N -1 1 450.560 4.964 20 0 JJADMM Cc1nc(Cc2nnc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2CCSC(C)C)cs1 ZINC001492671780 1066803069 /nfs/dbraw/zinc/80/30/69/1066803069.db2.gz FGJUJWNXJQLENA-UHFFFAOYSA-N -1 1 485.679 4.580 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4cc(F)cc(F)c4C3)cc2)c1C ZINC001457377475 1066818925 /nfs/dbraw/zinc/81/89/25/1066818925.db2.gz VSGSZVNVYDPYGZ-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM Cc1[nH]nc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1-c1cccc(F)c1 ZINC001457417101 1066826753 /nfs/dbraw/zinc/82/67/53/1066826753.db2.gz LWFOBBJQTDYRRW-UHFFFAOYSA-N -1 1 450.495 4.577 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@]3(C)CCO[C@H]3C)cc2)c1C ZINC001447597472 1066827297 /nfs/dbraw/zinc/82/72/97/1066827297.db2.gz VYPKGTWHUARSNW-AVRWGWEMSA-N -1 1 458.624 4.699 20 0 JJADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(F)cc4)c3)C2)c1 ZINC001447636440 1066833715 /nfs/dbraw/zinc/83/37/15/1066833715.db2.gz WXAVYVNHCQGCQC-NRFANRHFSA-N -1 1 452.551 4.873 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1NCCCc1ccccc1 ZINC001447642029 1066834185 /nfs/dbraw/zinc/83/41/85/1066834185.db2.gz BDNHWPDQXVGSFT-UHFFFAOYSA-N -1 1 453.546 4.779 20 0 JJADMM Cc1ccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC001457465413 1066836759 /nfs/dbraw/zinc/83/67/59/1066836759.db2.gz PTRJRSLGDHOAIK-UHFFFAOYSA-N -1 1 458.967 4.600 20 0 JJADMM COc1ccc2[nH]c(NC(=O)c3cc(S(=O)(=O)[N-]c4cccc(F)c4)ccc3F)cc2c1 ZINC001447659791 1066837913 /nfs/dbraw/zinc/83/79/13/1066837913.db2.gz ROZMDPLHEQBVHM-UHFFFAOYSA-N -1 1 457.458 4.508 20 0 JJADMM Cc1c(C(=O)Nc2ccc(Br)c([O-])c2)cnn1-c1cccc(Br)c1 ZINC001447735651 1066849656 /nfs/dbraw/zinc/84/96/56/1066849656.db2.gz PLICKWZOXPQNBK-UHFFFAOYSA-N -1 1 451.118 4.664 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(CC)C3)ccc2C)cc1 ZINC001447812807 1066864984 /nfs/dbraw/zinc/86/49/84/1066864984.db2.gz MXYNDLQLLDVTAC-VWLOTQADSA-N -1 1 458.624 4.780 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC001457571314 1066867170 /nfs/dbraw/zinc/86/71/70/1066867170.db2.gz ATOYOUOOUQKXLR-LJQANCHMSA-N -1 1 459.974 4.846 20 0 JJADMM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(Br)ccc1[O-])C1CCCCCC1 ZINC001447928143 1066877375 /nfs/dbraw/zinc/87/73/75/1066877375.db2.gz VIFZPDXCBKCYQK-AWEZNQCLSA-N -1 1 456.381 4.600 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc4ncsc4c3)cc2)cc1 ZINC001448003284 1066889428 /nfs/dbraw/zinc/88/94/28/1066889428.db2.gz DQDXIGCAJUNGFV-INIZCTEOSA-N -1 1 451.573 4.897 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(Cc4cccc(F)c4)CCC3)cc2)cc1 ZINC001448030359 1066892853 /nfs/dbraw/zinc/89/28/53/1066892853.db2.gz UTVQSSYRAGSLMU-UHFFFAOYSA-N -1 1 452.551 4.830 20 0 JJADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457715475 1066903417 /nfs/dbraw/zinc/90/34/17/1066903417.db2.gz DNCCAXBSGNKUNK-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM CCSc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)ccn1 ZINC001448170299 1066906603 /nfs/dbraw/zinc/90/66/03/1066906603.db2.gz ZQMWDIMMDSGSAL-UHFFFAOYSA-N -1 1 455.605 4.541 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c([O-])c1)c1cccc(Br)c1 ZINC001448190822 1066908574 /nfs/dbraw/zinc/90/85/74/1066908574.db2.gz LMSBMSOBRQNHNB-VQTJNVASSA-N -1 1 451.320 4.693 20 0 JJADMM O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001457748259 1066910167 /nfs/dbraw/zinc/91/01/67/1066910167.db2.gz UPXZCEGNLJFXAE-UHFFFAOYSA-N -1 1 455.845 4.807 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@H](CO)CC2CCCC2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001448240554 1066914559 /nfs/dbraw/zinc/91/45/59/1066914559.db2.gz DSPZFMXLLIRKBZ-INIZCTEOSA-N -1 1 451.350 4.622 20 0 JJADMM O=C(Nc1cc(-c2ccccc2F)on1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001457775841 1066916890 /nfs/dbraw/zinc/91/68/90/1066916890.db2.gz GWFHJKOMCIKFHV-UHFFFAOYSA-N -1 1 453.376 4.969 20 0 JJADMM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c(C)cc1C ZINC001448345313 1066918263 /nfs/dbraw/zinc/91/82/63/1066918263.db2.gz BKNLZWGOQBWURB-UHFFFAOYSA-N -1 1 452.532 4.568 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(c4ccc(Cl)cc4)C3)c2)cc1F ZINC001457824825 1066928424 /nfs/dbraw/zinc/92/84/24/1066928424.db2.gz WEXSBIDKKGISIH-UHFFFAOYSA-N -1 1 458.942 4.828 20 0 JJADMM O=C(Nc1cc2c(cn1)CCCC2)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001457836848 1066931182 /nfs/dbraw/zinc/93/11/82/1066931182.db2.gz MNFMOPGUAWIOKB-UHFFFAOYSA-N -1 1 459.930 4.806 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)c2)c1 ZINC001448477745 1066931247 /nfs/dbraw/zinc/93/12/47/1066931247.db2.gz RPIBXFPKAPNIJO-XYWHTSSQSA-N -1 1 452.551 4.919 20 0 JJADMM CCCCOc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c([O-])c1 ZINC001457863423 1066933277 /nfs/dbraw/zinc/93/32/77/1066933277.db2.gz WPTHBKOIMKDKPT-UHFFFAOYSA-N -1 1 454.548 4.765 20 0 JJADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)n[n-]1 ZINC001448636658 1066945818 /nfs/dbraw/zinc/94/58/18/1066945818.db2.gz WIWOMXQWZUNRDR-HXUWFJFHSA-N -1 1 452.580 4.791 20 0 JJADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)[n-]1 ZINC001448636658 1066945824 /nfs/dbraw/zinc/94/58/24/1066945824.db2.gz WIWOMXQWZUNRDR-HXUWFJFHSA-N -1 1 452.580 4.791 20 0 JJADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)n1 ZINC001448636658 1066945834 /nfs/dbraw/zinc/94/58/34/1066945834.db2.gz WIWOMXQWZUNRDR-HXUWFJFHSA-N -1 1 452.580 4.791 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001448648168 1066946283 /nfs/dbraw/zinc/94/62/83/1066946283.db2.gz KWQCNLOCVYFLBP-GOSISDBHSA-N -1 1 458.942 4.910 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2)ccc1F ZINC001448652495 1066946818 /nfs/dbraw/zinc/94/68/18/1066946818.db2.gz QPXDPSXRGYSOEO-IBGZPJMESA-N -1 1 456.514 4.704 20 0 JJADMM CCOc1cc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc(Cl)c1[O-] ZINC001448882486 1066966838 /nfs/dbraw/zinc/96/68/38/1066966838.db2.gz BJSOIKKOTOJYGS-MRXNPFEDSA-N -1 1 453.764 4.924 20 0 JJADMM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001448893794 1066968117 /nfs/dbraw/zinc/96/81/17/1066968117.db2.gz ORRHECFLFMVGLF-BBRMVZONSA-N -1 1 451.350 4.717 20 0 JJADMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961359 1066973046 /nfs/dbraw/zinc/97/30/46/1066973046.db2.gz BYZAEFFDEQKJAR-GCJKJVERSA-N -1 1 456.514 4.832 20 0 JJADMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC001449008009 1066977044 /nfs/dbraw/zinc/97/70/44/1066977044.db2.gz ZPZJFJVANFARNM-UHFFFAOYSA-N -1 1 455.723 4.844 20 0 JJADMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CCCC1 ZINC001449457083 1067010155 /nfs/dbraw/zinc/01/01/55/1067010155.db2.gz XDJUKSHPNNZFOI-CQSZACIVSA-N -1 1 451.386 4.558 20 0 JJADMM CCCn1ncc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1C1CC1 ZINC001449952837 1067038815 /nfs/dbraw/zinc/03/88/15/1067038815.db2.gz OJAMJFZOARLBSY-UHFFFAOYSA-N -1 1 456.543 4.671 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)cnc3OC(C)C)ccc2C)c1 ZINC001450116804 1067050273 /nfs/dbraw/zinc/05/02/73/1067050273.db2.gz YKVUZQDRQPBXRH-UHFFFAOYSA-N -1 1 453.564 4.847 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC001450143973 1067054088 /nfs/dbraw/zinc/05/40/88/1067054088.db2.gz LERLZHYWWPASEP-INIZCTEOSA-N -1 1 458.942 4.910 20 0 JJADMM COc1cc(F)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1F ZINC001545771955 1067060210 /nfs/dbraw/zinc/06/02/10/1067060210.db2.gz GTKQDYSUAKTULR-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)cc2)cc1C ZINC001545780104 1067075559 /nfs/dbraw/zinc/07/55/59/1067075559.db2.gz LWOMLCHQLBAMFH-JOCHJYFZSA-N -1 1 456.608 4.716 20 0 JJADMM COc1ccccc1[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1ccco1 ZINC001450708259 1067108982 /nfs/dbraw/zinc/10/89/82/1067108982.db2.gz PPZNEEYZDKVQSP-NRFANRHFSA-N -1 1 453.292 4.824 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc4sccc4c3)c2)cc1 ZINC001450750762 1067116259 /nfs/dbraw/zinc/11/62/59/1067116259.db2.gz ILOWRZNBBIGNBU-UHFFFAOYSA-N -1 1 452.557 4.641 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CCOCc3ccccc3)c2)c1 ZINC001450805049 1067123929 /nfs/dbraw/zinc/12/39/29/1067123929.db2.gz PKUITFVIYLUXJD-HXUWFJFHSA-N -1 1 452.576 4.521 20 0 JJADMM Cc1ccc(F)c(-c2cc(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3[O-])n[nH]2)c1 ZINC001450893631 1067133746 /nfs/dbraw/zinc/13/37/46/1067133746.db2.gz RFFASRRSIVZDAG-UHFFFAOYSA-N -1 1 452.364 4.593 20 0 JJADMM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)c1ccc(Cl)cc1 ZINC001451007819 1067139181 /nfs/dbraw/zinc/13/91/81/1067139181.db2.gz DGOSYOUFLIBOFK-ZDUSSCGKSA-N -1 1 450.894 4.910 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@@H](OC(C)C)C3)cc2)c(C)c1C ZINC001451085526 1067145181 /nfs/dbraw/zinc/14/51/81/1067145181.db2.gz JLHVUMBTDFAHJU-ZRZAMGCNSA-N -1 1 458.624 4.715 20 0 JJADMM COC1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1 ZINC001451176848 1067152033 /nfs/dbraw/zinc/15/20/33/1067152033.db2.gz BZUIXSPZMCFOGB-UHFFFAOYSA-N -1 1 458.624 4.781 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N[C@@H]1C[C@H]1c1ccco1 ZINC001451377403 1067161835 /nfs/dbraw/zinc/16/18/35/1067161835.db2.gz YXHARSQJBXRJMJ-VQIMIIECSA-N -1 1 465.358 4.602 20 0 JJADMM COCC[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl ZINC001451508100 1067175267 /nfs/dbraw/zinc/17/52/67/1067175267.db2.gz QZGJUJGOCYJKKY-ZDUSSCGKSA-N -1 1 459.395 4.505 20 0 JJADMM Cc1cccc(C2(NC(=O)c3cc(S(=O)(=O)[N-]c4cccc(F)c4)ccc3F)CCC2)c1 ZINC001452190630 1067213197 /nfs/dbraw/zinc/21/31/97/1067213197.db2.gz LZOOQKVCKRBFDT-UHFFFAOYSA-N -1 1 456.514 4.883 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccc2scnc2c1 ZINC001546105264 1067213781 /nfs/dbraw/zinc/21/37/81/1067213781.db2.gz AXXOVJNWLPUMOH-UHFFFAOYSA-N -1 1 459.936 4.708 20 0 JJADMM Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105321 1067217774 /nfs/dbraw/zinc/21/77/74/1067217774.db2.gz DBIJMBXREFMSOU-MRXNPFEDSA-N -1 1 458.967 4.972 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CO)cc2)cc1 ZINC001452444284 1067224308 /nfs/dbraw/zinc/22/43/08/1067224308.db2.gz RPWKYMVWCGTLMD-UHFFFAOYSA-N -1 1 452.576 4.838 20 0 JJADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC001452523149 1067231056 /nfs/dbraw/zinc/23/10/56/1067231056.db2.gz NGFXNJYGXJQWDZ-LIRRHRJNSA-N -1 1 454.876 4.591 20 0 JJADMM Cc1c(=O)[n-]c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nc1-c1ccccc1 ZINC001459026756 1067231805 /nfs/dbraw/zinc/23/18/05/1067231805.db2.gz NNVOYBQJFMHQBT-UHFFFAOYSA-N -1 1 457.939 4.703 20 0 JJADMM Cc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[O-])[nH]c2c1 ZINC001546105765 1067235437 /nfs/dbraw/zinc/23/54/37/1067235437.db2.gz VJQNOPZZFSVDIV-UHFFFAOYSA-N -1 1 455.923 4.888 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOc4c(C)cc(C)cc43)cc2)c1 ZINC001452802030 1067253575 /nfs/dbraw/zinc/25/35/75/1067253575.db2.gz UWPNUPZGWAEUGU-UHFFFAOYSA-N -1 1 450.560 4.760 20 0 JJADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001452913852 1067263922 /nfs/dbraw/zinc/26/39/22/1067263922.db2.gz QWKCSLWCQHGFBV-HNAYVOBHSA-N -1 1 465.413 4.804 20 0 JJADMM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC001452915488 1067264159 /nfs/dbraw/zinc/26/41/59/1067264159.db2.gz WXYGZZUTUMVKGC-VWLOTQADSA-N -1 1 454.448 4.866 20 0 JJADMM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC001452915480 1067264210 /nfs/dbraw/zinc/26/42/10/1067264210.db2.gz WXYGZZUTUMVKGC-RUZDIDTESA-N -1 1 454.448 4.866 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@H](CC)OC[C@@H]3CC)c2)cc1 ZINC001452939107 1067265722 /nfs/dbraw/zinc/26/57/22/1067265722.db2.gz XRYRNFSXHVMWMJ-GOTSBHOMSA-N -1 1 458.624 4.860 20 0 JJADMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCCC[C@H]1Cc1ccccc1F ZINC001452944159 1067266106 /nfs/dbraw/zinc/26/61/06/1067266106.db2.gz PIYLYLAZFGTXGI-QFIPXVFZSA-N -1 1 452.551 4.864 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2(Cc3cccs3)CCCCC2)c1 ZINC001546106978 1067267388 /nfs/dbraw/zinc/26/73/88/1067267388.db2.gz UPKMEBLLMHPGFI-UHFFFAOYSA-N -1 1 450.626 4.616 20 0 JJADMM CCn1ncc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001453026918 1067274384 /nfs/dbraw/zinc/27/43/84/1067274384.db2.gz CJMZHEDSZUFRAB-UHFFFAOYSA-N -1 1 454.596 4.870 20 0 JJADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001453030197 1067274896 /nfs/dbraw/zinc/27/48/96/1067274896.db2.gz INDJCHXBCMDGPM-OYHNWAKOSA-N -1 1 474.504 4.964 20 0 JJADMM C[C@H](CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001453127521 1067281831 /nfs/dbraw/zinc/28/18/31/1067281831.db2.gz KVOKAGZJWPKANG-CZAAIQMYSA-N -1 1 450.476 4.773 20 0 JJADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)[N-]c2nnc(CCC(C)C)s2)cc1 ZINC001453375329 1067301949 /nfs/dbraw/zinc/30/19/49/1067301949.db2.gz IPYGUPMSCYWRHJ-UHFFFAOYSA-N -1 1 450.611 4.550 20 0 JJADMM Cc1ccc2oc(CNC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(F)cc4)c3)cc2c1 ZINC001453496567 1067309376 /nfs/dbraw/zinc/30/93/76/1067309376.db2.gz IAWFGOIOEIEGHR-UHFFFAOYSA-N -1 1 452.507 4.920 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532284 1067311135 /nfs/dbraw/zinc/31/11/35/1067311135.db2.gz AUEFDPMJQMIDRI-GGAORHGYSA-N -1 1 456.608 4.526 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)cc2)cc1 ZINC001453534062 1067311452 /nfs/dbraw/zinc/31/14/52/1067311452.db2.gz JBBJRDRVYPWJDG-JTHBVZDNSA-N -1 1 470.978 4.825 20 0 JJADMM C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453580018 1067315676 /nfs/dbraw/zinc/31/56/76/1067315676.db2.gz FOQAMDRRTGKSFM-RHSMWYFYSA-N -1 1 455.393 4.700 20 0 JJADMM C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001453674975 1067321272 /nfs/dbraw/zinc/32/12/72/1067321272.db2.gz JRLJVVFKYAMXKF-FKIZINRSSA-N -1 1 461.743 4.959 20 0 JJADMM CC1CCN(c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H]([N-]C(=O)C(F)(F)F)C3)cc2)CC1 ZINC001453686984 1067322940 /nfs/dbraw/zinc/32/29/40/1067322940.db2.gz YSHUUMGQFLDBRJ-DHIUTWEWSA-N -1 1 473.539 4.600 20 0 JJADMM Cc1ccc(CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H]2CCCO2)c(Br)c1 ZINC001460032768 1067534858 /nfs/dbraw/zinc/53/48/58/1067534858.db2.gz GAZRXUCKBUMKBG-IBGZPJMESA-N -1 1 458.352 4.751 20 0 JJADMM CC(C)C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC001460035737 1067535662 /nfs/dbraw/zinc/53/56/62/1067535662.db2.gz CLWDMHIVGIRPIZ-ZCNNSNEGSA-N -1 1 474.951 4.544 20 0 JJADMM CCC(CC)(C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC001460590172 1067664182 /nfs/dbraw/zinc/66/41/82/1067664182.db2.gz RRIGTOUDGDADRD-ZDUSSCGKSA-N -1 1 453.332 4.968 20 0 JJADMM O=C(CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1)Nc1ccccc1Oc1ccccc1 ZINC001460645030 1067684097 /nfs/dbraw/zinc/68/40/97/1067684097.db2.gz MZAUGMRTLKZCLF-UHFFFAOYSA-N -1 1 451.954 4.594 20 0 JJADMM O=C([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1sc(N2CCCC2)nc1Cl ZINC001460912439 1067747121 /nfs/dbraw/zinc/74/71/21/1067747121.db2.gz BONDCZINOOJANV-UHFFFAOYSA-N -1 1 456.380 4.733 20 0 JJADMM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001461024157 1067764008 /nfs/dbraw/zinc/76/40/08/1067764008.db2.gz CQDQACZFPPJPPT-GUYCJALGSA-N -1 1 458.402 4.520 20 0 JJADMM CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001546134657 1068194395 /nfs/dbraw/zinc/19/43/95/1068194395.db2.gz DJTYLYIILWCYNY-VQIMIIECSA-N -1 1 458.839 4.684 20 0 JJADMM CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135086 1068211172 /nfs/dbraw/zinc/21/11/72/1068211172.db2.gz NCZUHLKOZZTLEG-QFBILLFUSA-N -1 1 458.839 4.684 20 0 JJADMM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001462992342 1068242154 /nfs/dbraw/zinc/24/21/54/1068242154.db2.gz HHPSXFQYRPIAJF-LBPRGKRZSA-N -1 1 451.169 4.948 20 0 JJADMM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccco1 ZINC001462993120 1068242562 /nfs/dbraw/zinc/24/25/62/1068242562.db2.gz SZEZXQRJLAENSS-INIZCTEOSA-N -1 1 450.782 4.529 20 0 JJADMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463293085 1068347110 /nfs/dbraw/zinc/34/71/10/1068347110.db2.gz MCWKKDZDEOGYNE-MEBBXXQBSA-N -1 1 453.185 4.546 20 0 JJADMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)sc(C)c1Br)c1ccco1 ZINC001463301821 1068350064 /nfs/dbraw/zinc/35/00/64/1068350064.db2.gz KIUBHEMXRCIWTE-KRWDZBQOSA-N -1 1 456.383 4.797 20 0 JJADMM O=S(=O)([N-][C@@H]1COc2ccc(Cl)cc21)c1cc(Br)c(Cl)cc1Cl ZINC001463314896 1068353270 /nfs/dbraw/zinc/35/32/70/1068353270.db2.gz OJMMDTCKJBVLMY-GFCCVEGCSA-N -1 1 457.560 4.821 20 0 JJADMM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C)c1Cl ZINC001463341846 1068363172 /nfs/dbraw/zinc/36/31/72/1068363172.db2.gz HYPAGNZTZYEXEN-NSHDSACASA-N -1 1 459.870 4.608 20 0 JJADMM CC1(C)C[C@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)c2ccc(F)cc2O1 ZINC001463379999 1068377897 /nfs/dbraw/zinc/37/78/97/1068377897.db2.gz SZGZVXMUZARALU-AWEZNQCLSA-N -1 1 454.317 4.915 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC001463399186 1068384309 /nfs/dbraw/zinc/38/43/09/1068384309.db2.gz ZPDBHOUNYLXSRA-FQEVSTJZSA-N -1 1 459.033 4.870 20 0 JJADMM CC1(C[N-]S(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)CCCCCC1 ZINC001463405696 1068386670 /nfs/dbraw/zinc/38/66/70/1068386670.db2.gz BLUBUVARYKBUPI-UHFFFAOYSA-N -1 1 451.770 4.588 20 0 JJADMM CCC1(C[N-]S(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)CCCCC1 ZINC001463467176 1068410968 /nfs/dbraw/zinc/41/09/68/1068410968.db2.gz QJNRWRSQMLWGSS-UHFFFAOYSA-N -1 1 451.770 4.588 20 0 JJADMM O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463549781 1068438129 /nfs/dbraw/zinc/43/81/29/1068438129.db2.gz MVPGXLMLLNYDAA-UHFFFAOYSA-N -1 1 451.386 4.703 20 0 JJADMM Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC001463564167 1068445735 /nfs/dbraw/zinc/44/57/35/1068445735.db2.gz MNFJVNFNGOAUTN-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC001463564167 1068445740 /nfs/dbraw/zinc/44/57/40/1068445740.db2.gz MNFJVNFNGOAUTN-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM Cc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463565434 1068446630 /nfs/dbraw/zinc/44/66/30/1068446630.db2.gz RPNQTTMABSODQL-UHFFFAOYSA-N -1 1 450.894 4.909 20 0 JJADMM Cc1ccc(NC(=O)c2cccnc2NC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463564893 1068446725 /nfs/dbraw/zinc/44/67/25/1068446725.db2.gz 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CC[C@@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H](CC)Oc1cccc(F)c1 ZINC001545950410 1066144032 /nfs/dbraw/zinc/14/40/32/1066144032.db2.gz PQUHUURUYHFQRT-APWZRJJASA-N -1 1 499.553 4.683 20 0 JJADMM Cc1c([C@@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cnn1-c1ccc(F)cc1 ZINC001442609375 1066144383 /nfs/dbraw/zinc/14/43/83/1066144383.db2.gz IDGDSWSVCXOZRX-CQSZACIVSA-N -1 1 454.502 4.863 20 0 JJADMM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001442621091 1066145770 /nfs/dbraw/zinc/14/57/70/1066145770.db2.gz WZKHLNRQPNWTPD-LJQANCHMSA-N -1 1 456.539 4.569 20 0 JJADMM Cc1ccccc1C1(CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)CC1 ZINC001442931078 1066243061 /nfs/dbraw/zinc/24/30/61/1066243061.db2.gz LKLPHMVXDOUPRU-UHFFFAOYSA-N -1 1 456.514 4.536 20 0 JJADMM CCCc1ccc([C@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC001442999747 1066251202 /nfs/dbraw/zinc/25/12/02/1066251202.db2.gz RAFRRFUUWSAFHS-HXUWFJFHSA-N -1 1 457.423 4.738 20 0 JJADMM 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O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001454457240 1066284305 /nfs/dbraw/zinc/28/43/05/1066284305.db2.gz LOXBVWAFBCOQCM-LAUBAEHRSA-N -1 1 462.905 4.705 20 0 JJADMM O=C(Nc1cccc(C2CCOCC2)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001454538346 1066297124 /nfs/dbraw/zinc/29/71/24/1066297124.db2.gz OZQILRRQOIPOSK-UHFFFAOYSA-N -1 1 454.523 4.773 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)ccc1F ZINC001443403045 1066306312 /nfs/dbraw/zinc/30/63/12/1066306312.db2.gz FDQDXCYAMJWZER-UHFFFAOYSA-N -1 1 458.530 4.782 20 0 JJADMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc([O-])c2F)c2ccc(Br)cc21 ZINC001454595580 1066307309 /nfs/dbraw/zinc/30/73/09/1066307309.db2.gz QUOGDGKIUHASQU-ZDUSSCGKSA-N -1 1 450.304 4.770 20 0 JJADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC001455012891 1066353875 /nfs/dbraw/zinc/35/38/75/1066353875.db2.gz XRYWSUSGOOERKS-HNNXBMFYSA-N -1 1 459.955 4.965 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(O)c(C(C)C)c3)c2)cc1 ZINC001455165312 1066367183 /nfs/dbraw/zinc/36/71/83/1066367183.db2.gz IPWIXZPZLILNKT-UHFFFAOYSA-N -1 1 454.548 4.967 20 0 JJADMM CN(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl)C(=O)CCCc1nn[n-]n1 ZINC001455271435 1066378076 /nfs/dbraw/zinc/37/80/76/1066378076.db2.gz GIOSKSQSZMVNRS-UHFFFAOYSA-N -1 1 454.745 4.934 20 0 JJADMM COc1ccc([C@@H](C)CCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001444018424 1066394788 /nfs/dbraw/zinc/39/47/88/1066394788.db2.gz CSPWFLVLMBKHGH-KRWDZBQOSA-N -1 1 456.539 4.559 20 0 JJADMM Cc1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001455482662 1066396459 /nfs/dbraw/zinc/39/64/59/1066396459.db2.gz XONXOCRVXBUQGN-UHFFFAOYSA-N -1 1 458.902 4.717 20 0 JJADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC001444204917 1066429155 /nfs/dbraw/zinc/42/91/55/1066429155.db2.gz ILGRMFSPMJBHSB-UHFFFAOYSA-N -1 1 451.939 4.977 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](CC3CC3)c3ccccc3)cc2)cc1 ZINC001444211563 1066430118 /nfs/dbraw/zinc/43/01/18/1066430118.db2.gz RPGDUZWJKIKYQG-DEOSSOPVSA-N -1 1 450.560 4.767 20 0 JJADMM CC[C@@](C)(NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)c1nc(C)cs1 ZINC001444257595 1066436934 /nfs/dbraw/zinc/43/69/34/1066436934.db2.gz DLQHRCCANMITED-HSZRJFAPSA-N -1 1 457.621 4.924 20 0 JJADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC001455825658 1066438871 /nfs/dbraw/zinc/43/88/71/1066438871.db2.gz WANPINLZLNELBY-COCCGSRQSA-N -1 1 453.391 4.816 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)c3ccc(F)cc3)c2)cc1 ZINC001455830894 1066439683 /nfs/dbraw/zinc/43/96/83/1066439683.db2.gz HLLCIISJJXIKRO-UHFFFAOYSA-N -1 1 456.539 4.690 20 0 JJADMM CCCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)n[nH]1 ZINC001444272240 1066441270 /nfs/dbraw/zinc/44/12/70/1066441270.db2.gz XXCXBBQUQGDJFP-UHFFFAOYSA-N -1 1 453.351 4.722 20 0 JJADMM CCCN(C(=O)c1ccc(I)cc1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001444322147 1066448750 /nfs/dbraw/zinc/44/87/50/1066448750.db2.gz HGHLOLGHXNBLAC-ZWKOTPCHSA-N -1 1 457.352 4.587 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3OCC3CC3)c2)c1 ZINC001444356043 1066453984 /nfs/dbraw/zinc/45/39/84/1066453984.db2.gz ULEHVORSDKAJNK-UHFFFAOYSA-N -1 1 454.523 4.976 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)c3cccc(C)c3)cc2)cc1 ZINC001444461385 1066462695 /nfs/dbraw/zinc/46/26/95/1066462695.db2.gz TZOGLDIJPFBPPN-UHFFFAOYSA-N -1 1 452.576 4.860 20 0 JJADMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC001444599831 1066480255 /nfs/dbraw/zinc/48/02/55/1066480255.db2.gz IEWKYNUMJJTNMQ-CQSZACIVSA-N -1 1 457.299 4.577 20 0 JJADMM CO[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)(C)C ZINC001444699936 1066494592 /nfs/dbraw/zinc/49/45/92/1066494592.db2.gz AIACXGHTBJUGRC-GOSISDBHSA-N -1 1 459.395 4.585 20 0 JJADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811402 1066508198 /nfs/dbraw/zinc/50/81/98/1066508198.db2.gz NYKHMXYHRPICBU-OALUTQOASA-N -1 1 450.601 4.681 20 0 JJADMM Cc1cnc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)s1 ZINC001444882774 1066515937 /nfs/dbraw/zinc/51/59/37/1066515937.db2.gz AOUKFPZWNMZRMT-OAQYLSRUSA-N -1 1 455.605 4.750 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4ccon4)cc3)c([O-])c2)c1 ZINC001456140603 1066520133 /nfs/dbraw/zinc/52/01/33/1066520133.db2.gz WNRODIGKKNACOA-UHFFFAOYSA-N -1 1 459.458 4.569 20 0 JJADMM O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1ccc(I)cc1[O-] ZINC001444964913 1066523436 /nfs/dbraw/zinc/52/34/36/1066523436.db2.gz YLDTUBCYPSXQIE-SFHVURJKSA-N -1 1 457.311 4.753 20 0 JJADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986017 1066526489 /nfs/dbraw/zinc/52/64/89/1066526489.db2.gz LCGTZQNLBIMCSX-KDOFPFPSSA-N -1 1 451.386 4.511 20 0 JJADMM CC1(C)CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1(C)C ZINC001445086147 1066538263 /nfs/dbraw/zinc/53/82/63/1066538263.db2.gz WKKYHPGKKYMLLJ-UHFFFAOYSA-N -1 1 455.407 4.984 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)ccc3NC(C)C)c2)cc1 ZINC001445227292 1066547075 /nfs/dbraw/zinc/54/70/75/1066547075.db2.gz UAIOEZXYKXGZEF-UHFFFAOYSA-N -1 1 457.527 4.708 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](c3cccnc3)C(C)C)ccc2C)c1 ZINC001445287890 1066553955 /nfs/dbraw/zinc/55/39/55/1066553955.db2.gz MNQUKIQZOCGKNG-QHCPKHFHSA-N -1 1 451.592 4.669 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCC4(CCOCC4)CC3)ccc2C)c1 ZINC001445359225 1066562170 /nfs/dbraw/zinc/56/21/70/1066562170.db2.gz OMYNEWGSAAXWRZ-UHFFFAOYSA-N -1 1 456.608 4.573 20 0 JJADMM Cc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001445371551 1066563852 /nfs/dbraw/zinc/56/38/52/1066563852.db2.gz SJPHWWVEOFBDPB-LJQANCHMSA-N -1 1 458.477 4.786 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)c2)c1 ZINC001445375130 1066564462 /nfs/dbraw/zinc/56/44/62/1066564462.db2.gz ZHMFUOPVRAPOES-FQEVSTJZSA-N -1 1 454.514 4.955 20 0 JJADMM Cc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001445410452 1066568294 /nfs/dbraw/zinc/56/82/94/1066568294.db2.gz CSWYXRFOGCBAAM-JOCHJYFZSA-N -1 1 454.979 4.906 20 0 JJADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001445441063 1066571949 /nfs/dbraw/zinc/57/19/49/1066571949.db2.gz NHUFFWURXVCSLF-IBGZPJMESA-N -1 1 450.560 4.840 20 0 JJADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001445441710 1066572148 /nfs/dbraw/zinc/57/21/48/1066572148.db2.gz RCGONEYQMPIKHK-RTBURBONSA-N -1 1 453.029 4.853 20 0 JJADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001445443904 1066572721 /nfs/dbraw/zinc/57/27/21/1066572721.db2.gz ULWXXJZNBLQBRO-MRXNPFEDSA-N -1 1 456.951 4.877 20 0 JJADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586568 1066591668 /nfs/dbraw/zinc/59/16/68/1066591668.db2.gz VZTCOZMDNMDVLY-DHIUTWEWSA-N -1 1 456.608 4.524 20 0 JJADMM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001445651389 1066598550 /nfs/dbraw/zinc/59/85/50/1066598550.db2.gz RHWUHVUNDZGSJU-INIZCTEOSA-N -1 1 458.967 4.988 20 0 JJADMM Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001445675977 1066600549 /nfs/dbraw/zinc/60/05/49/1066600549.db2.gz YSSWFQYNKYOCGA-NRFANRHFSA-N -1 1 459.329 4.723 20 0 JJADMM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001445718793 1066610473 /nfs/dbraw/zinc/61/04/73/1066610473.db2.gz KDECKJZRPRHZOQ-JOCHJYFZSA-N -1 1 450.560 4.530 20 0 JJADMM COc1cccc([C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c2ccccc2Cl)c1 ZINC001456524987 1066612787 /nfs/dbraw/zinc/61/27/87/1066612787.db2.gz RYGLYZKRECUHJJ-OAQYLSRUSA-N -1 1 457.983 4.713 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(O)cc3)ccc2C)cc1 ZINC001445937397 1066637501 /nfs/dbraw/zinc/63/75/01/1066637501.db2.gz KNGDNUKTRCDQNP-UHFFFAOYSA-N -1 1 452.576 4.774 20 0 JJADMM CC(C)(C)OC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC001445955166 1066639420 /nfs/dbraw/zinc/63/94/20/1066639420.db2.gz UYCRPYQCUIZLFS-UHFFFAOYSA-N -1 1 450.988 4.561 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CCc3ccc(O)cc3)cc2)cc1C ZINC001445951749 1066639443 /nfs/dbraw/zinc/63/94/43/1066639443.db2.gz NKBRHOCWAYBKAI-IBGZPJMESA-N -1 1 452.576 4.561 20 0 JJADMM CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001445996317 1066643221 /nfs/dbraw/zinc/64/32/21/1066643221.db2.gz KMFCEMCPKSAVBV-KRWDZBQOSA-N -1 1 456.539 4.734 20 0 JJADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2cc(Cl)ccc2SCC(F)(F)F)n1 ZINC001456618247 1066646287 /nfs/dbraw/zinc/64/62/87/1066646287.db2.gz SXONBBLYMMUESF-UHFFFAOYSA-N -1 1 459.298 4.699 20 0 JJADMM C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674076 1066664459 /nfs/dbraw/zinc/66/44/59/1066664459.db2.gz TTXPVPCSTWNLBF-CZUORRHYSA-N -1 1 458.527 4.520 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCO[C@H](C)C3)cc2)c1C ZINC001446201282 1066674783 /nfs/dbraw/zinc/67/47/83/1066674783.db2.gz YJSMBYAIXIIQIQ-VGSWGCGISA-N -1 1 458.624 4.699 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCSCC(C)C)c2)c1 ZINC001446247565 1066679713 /nfs/dbraw/zinc/67/97/13/1066679713.db2.gz ZAOYBOYIVCHZID-UHFFFAOYSA-N -1 1 455.045 4.958 20 0 JJADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC001446454636 1066706219 /nfs/dbraw/zinc/70/62/19/1066706219.db2.gz COSWYKUCKVLEPI-UHFFFAOYSA-N -1 1 453.545 4.683 20 0 JJADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001446662826 1066730256 /nfs/dbraw/zinc/73/02/56/1066730256.db2.gz VTLBKERWBATCSJ-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456972836 1066732920 /nfs/dbraw/zinc/73/29/20/1066732920.db2.gz ZFHYSQTXSXQLFL-QFIPXVFZSA-N -1 1 454.979 4.655 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456972829 1066732963 /nfs/dbraw/zinc/73/29/63/1066732963.db2.gz ZFHYSQTXSXQLFL-JOCHJYFZSA-N -1 1 454.979 4.655 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3Cc4ccccc4[C@H]3CC)c2)cc1 ZINC001456996996 1066738485 /nfs/dbraw/zinc/73/84/85/1066738485.db2.gz FLEORDFOGZDERY-XMMPIXPASA-N -1 1 450.560 4.993 20 0 JJADMM O=C(N[C@@H]1CC12CCCCC2)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001446977597 1066760942 /nfs/dbraw/zinc/76/09/42/1066760942.db2.gz BLLRHDBOJXVXOW-LJQANCHMSA-N -1 1 452.498 4.959 20 0 JJADMM CCC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)c1ccccc1 ZINC001457121662 1066767197 /nfs/dbraw/zinc/76/71/97/1066767197.db2.gz FGZBFFMQXJOLCE-VWLOTQADSA-N -1 1 452.576 4.941 20 0 JJADMM COc1ccnc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1 ZINC001447171642 1066780408 /nfs/dbraw/zinc/78/04/08/1066780408.db2.gz SKKQDQVABJAYAG-UHFFFAOYSA-N -1 1 453.564 4.749 20 0 JJADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457201796 1066787799 /nfs/dbraw/zinc/78/77/99/1066787799.db2.gz SAMRHBVRHSYFMV-LEWJYISDSA-N -1 1 452.551 4.544 20 0 JJADMM Cc1oc2ccccc2c1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001447361024 1066798085 /nfs/dbraw/zinc/79/80/85/1066798085.db2.gz QJPQEEQHBBXNEH-UHFFFAOYSA-N -1 1 452.507 4.920 20 0 JJADMM COc1ccc(Sc2nsc([N-]C(=O)c3cc(F)c(Br)cc3F)n2)cc1 ZINC001457463099 1066835808 /nfs/dbraw/zinc/83/58/08/1066835808.db2.gz OYGHGHCACOPFQW-UHFFFAOYSA-N -1 1 458.309 4.991 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC001447653538 1066836630 /nfs/dbraw/zinc/83/66/30/1066836630.db2.gz YVRUZRRUROKBCV-KRWDZBQOSA-N -1 1 458.967 4.647 20 0 JJADMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1)c1ccc(OC)cc1 ZINC001457508497 1066846670 /nfs/dbraw/zinc/84/66/70/1066846670.db2.gz VUJCFSGXUPANNB-QFIPXVFZSA-N -1 1 456.539 4.825 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC001447726087 1066847743 /nfs/dbraw/zinc/84/77/43/1066847743.db2.gz BNSGXVMWWLEISH-UHFFFAOYSA-N -1 1 452.551 4.739 20 0 JJADMM O=C(Nc1ccc(Br)c([O-])c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC001447734056 1066849607 /nfs/dbraw/zinc/84/96/07/1066849607.db2.gz AXBWISPAFFUFNJ-UHFFFAOYSA-N -1 1 453.271 4.794 20 0 JJADMM Cc1ccc(C(=O)NCc2cccc3cc[nH]c32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001447744476 1066851447 /nfs/dbraw/zinc/85/14/47/1066851447.db2.gz MQCXMUJFZROLNC-UHFFFAOYSA-N -1 1 453.951 4.861 20 0 JJADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1[O-] ZINC001447787967 1066857130 /nfs/dbraw/zinc/85/71/30/1066857130.db2.gz YENBYXVHSAMKFB-HSZRJFAPSA-N -1 1 453.558 4.587 20 0 JJADMM CO[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@@H]1C ZINC001447810215 1066863818 /nfs/dbraw/zinc/86/38/18/1066863818.db2.gz OGRURDRZWBVMGK-WNSKOXEYSA-N -1 1 458.624 4.527 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C)c(O)c(C)c3C)c2)cc1 ZINC001447966742 1066884444 /nfs/dbraw/zinc/88/44/44/1066884444.db2.gz NZTRXVBQJDUKRJ-UHFFFAOYSA-N -1 1 454.548 4.769 20 0 JJADMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001457628017 1066884963 /nfs/dbraw/zinc/88/49/63/1066884963.db2.gz IUYDVOJBWCDNJU-UHFFFAOYSA-N -1 1 457.558 4.509 20 0 JJADMM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001457629489 1066885525 /nfs/dbraw/zinc/88/55/25/1066885525.db2.gz MWDQHIZTYIBWKD-UHFFFAOYSA-N -1 1 456.593 4.714 20 0 JJADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457706592 1066900904 /nfs/dbraw/zinc/90/09/04/1066900904.db2.gz YDRIMLOVFJKXRO-JOCHJYFZSA-N -1 1 457.983 4.847 20 0 JJADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001448231506 1066912111 /nfs/dbraw/zinc/91/21/11/1066912111.db2.gz WKKPSXFQLNUVOR-UHFFFAOYSA-N -1 1 456.514 4.689 20 0 JJADMM CCc1c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)onc1C(F)(F)F ZINC001457763495 1066914086 /nfs/dbraw/zinc/91/40/86/1066914086.db2.gz UNDBWRFMGILPDU-UHFFFAOYSA-N -1 1 453.442 4.617 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@](F)(c4ccccc4)C3)ccc2C)c1 ZINC001448239038 1066914151 /nfs/dbraw/zinc/91/41/51/1066914151.db2.gz DADILDXTCRITPP-VWLOTQADSA-N -1 1 452.551 4.815 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCC[C@H]3C)c2)cc1 ZINC001448298584 1066916617 /nfs/dbraw/zinc/91/66/17/1066916617.db2.gz DQYYCXVZJISVRQ-HZPDHXFCSA-N -1 1 450.988 4.706 20 0 JJADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@@H]1CCN(c2ccccc2F)C1 ZINC001457786771 1066919731 /nfs/dbraw/zinc/91/97/31/1066919731.db2.gz LYFHNDVWWPRZMD-SNVBAGLBSA-N -1 1 458.125 4.521 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCSC3)c2)cc1 ZINC001457789626 1066921108 /nfs/dbraw/zinc/92/11/08/1066921108.db2.gz VNWPWHAASQSTHE-QGZVFWFLSA-N -1 1 453.029 4.719 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c([O-])c1 ZINC001448441053 1066927659 /nfs/dbraw/zinc/92/76/59/1066927659.db2.gz WCDRZQYDZOHNCV-UHFFFAOYSA-N -1 1 455.530 4.546 20 0 JJADMM CC(C)n1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)n1 ZINC001448541427 1066938049 /nfs/dbraw/zinc/93/80/49/1066938049.db2.gz MPVJSTXBQQLGDW-UHFFFAOYSA-N -1 1 453.351 4.824 20 0 JJADMM Cc1ccc(CC(C)(C)NC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)cc1 ZINC001457912109 1066940563 /nfs/dbraw/zinc/94/05/63/1066940563.db2.gz XCNSTCHVURNLLO-UHFFFAOYSA-N -1 1 454.567 4.994 20 0 JJADMM Cc1ccc2oc(CNC(=O)c3cccc([N-]S(=O)(=O)c4cc(F)ccc4C)c3)cc2c1 ZINC001457936701 1066943702 /nfs/dbraw/zinc/94/37/02/1066943702.db2.gz UXMCZQOBLNFMGF-UHFFFAOYSA-N -1 1 452.507 4.920 20 0 JJADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n[n-]1 ZINC001448629453 1066945380 /nfs/dbraw/zinc/94/53/80/1066945380.db2.gz ISCGPCOUKSWSCS-LJQANCHMSA-N -1 1 456.930 4.944 20 0 JJADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)[n-]1 ZINC001448629453 1066945386 /nfs/dbraw/zinc/94/53/86/1066945386.db2.gz ISCGPCOUKSWSCS-LJQANCHMSA-N -1 1 456.930 4.944 20 0 JJADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC001448629453 1066945395 /nfs/dbraw/zinc/94/53/95/1066945395.db2.gz ISCGPCOUKSWSCS-LJQANCHMSA-N -1 1 456.930 4.944 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2)ccc1F ZINC001448652500 1066946939 /nfs/dbraw/zinc/94/69/39/1066946939.db2.gz QPXDPSXRGYSOEO-LJQANCHMSA-N -1 1 456.514 4.704 20 0 JJADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)cc1 ZINC001448673549 1066948654 /nfs/dbraw/zinc/94/86/54/1066948654.db2.gz HDDARNJAQPCEBK-GHTZIAJQSA-N -1 1 452.551 4.953 20 0 JJADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)cc1 ZINC001448673651 1066948783 /nfs/dbraw/zinc/94/87/83/1066948783.db2.gz HDDARNJAQPCEBK-RXVVDRJESA-N -1 1 452.551 4.953 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](CF)C3)c2)cc1 ZINC001457980207 1066951167 /nfs/dbraw/zinc/95/11/67/1066951167.db2.gz BDYXLWSAVRFCJB-KRWDZBQOSA-N -1 1 452.979 4.915 20 0 JJADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001545695022 1066962562 /nfs/dbraw/zinc/96/25/62/1066962562.db2.gz BHVHQKWBOBXSLJ-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM CCn1cc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccccc21 ZINC001545695106 1066962725 /nfs/dbraw/zinc/96/27/25/1066962725.db2.gz FVLNZCKXCRWVOZ-UHFFFAOYSA-N -1 1 451.523 4.531 20 0 JJADMM C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001448893801 1066968033 /nfs/dbraw/zinc/96/80/33/1066968033.db2.gz ORRHECFLFMVGLF-XJKSGUPXSA-N -1 1 451.350 4.717 20 0 JJADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001448903485 1066968443 /nfs/dbraw/zinc/96/84/43/1066968443.db2.gz YEKKWEPCNNFYRE-HNNXBMFYSA-N -1 1 454.162 4.634 20 0 JJADMM Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001449053445 1066980435 /nfs/dbraw/zinc/98/04/35/1066980435.db2.gz WSUKGSUOBJHATH-UHFFFAOYSA-N -1 1 454.523 4.901 20 0 JJADMM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1c([O-])cc(Br)cc1Cl ZINC001449120641 1066983805 /nfs/dbraw/zinc/98/38/05/1066983805.db2.gz OHHOZGJLAWAATN-UHFFFAOYSA-N -1 1 454.704 4.571 20 0 JJADMM CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2c([O-])cccc2OC)c1 ZINC001449412906 1067008472 /nfs/dbraw/zinc/00/84/72/1067008472.db2.gz NJAIYVHKYKEGHK-UHFFFAOYSA-N -1 1 454.548 4.649 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC001450065346 1067046230 /nfs/dbraw/zinc/04/62/30/1067046230.db2.gz MIOVTRRHBUFLMS-QFIPXVFZSA-N -1 1 453.539 4.553 20 0 JJADMM O=C([N-][C@@H]1CN(c2ccc(-c3ccc(Cl)s3)nn2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001458498811 1067075527 /nfs/dbraw/zinc/07/55/27/1067075527.db2.gz RZNRDWCIJLTKDR-GDBMZVCRSA-N -1 1 466.916 4.900 20 0 JJADMM C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)Cc2ccccc2O1 ZINC001450562592 1067091450 /nfs/dbraw/zinc/09/14/50/1067091450.db2.gz VRSIROSMAXRBDT-INIZCTEOSA-N -1 1 456.951 4.564 20 0 JJADMM O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)OC3)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001450648847 1067099005 /nfs/dbraw/zinc/09/90/05/1067099005.db2.gz UCWVIFDJTYMLAC-UHFFFAOYSA-N -1 1 457.269 4.874 20 0 JJADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)CCC2 ZINC001450694209 1067104487 /nfs/dbraw/zinc/10/44/87/1067104487.db2.gz QHOCPVSGKKRGMB-QHCPKHFHSA-N -1 1 456.514 4.881 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3Cc4ccccc4CO3)c2)cc1C ZINC001450747245 1067115622 /nfs/dbraw/zinc/11/56/22/1067115622.db2.gz AWSDLBNXDSXYNC-UHFFFAOYSA-N -1 1 456.951 4.845 20 0 JJADMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2[O-])ccc1Cl ZINC001450977366 1067137913 /nfs/dbraw/zinc/13/79/13/1067137913.db2.gz IXRZEQVZVUKPNM-UHFFFAOYSA-N -1 1 452.866 4.685 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CCCc3cccnc3)ccc2C)c1 ZINC001451151654 1067150483 /nfs/dbraw/zinc/15/04/83/1067150483.db2.gz QQNGBCMHLWQIQU-HXUWFJFHSA-N -1 1 451.592 4.640 20 0 JJADMM C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-])CC(F)(F)F ZINC001451629587 1067181064 /nfs/dbraw/zinc/18/10/64/1067181064.db2.gz DFEWCOGULRMOET-LLVKDONJSA-N -1 1 459.262 4.725 20 0 JJADMM Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)[n-]c(=O)c1C ZINC001459014754 1067229194 /nfs/dbraw/zinc/22/91/94/1067229194.db2.gz ILUZMQGHGSAECK-UHFFFAOYSA-N -1 1 453.589 4.701 20 0 JJADMM CC(C)(CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])C(F)(F)F ZINC001546105530 1067229695 /nfs/dbraw/zinc/22/96/95/1067229695.db2.gz LZKIKBNYLZEAAQ-UHFFFAOYSA-N -1 1 450.866 4.764 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c1 ZINC001452689477 1067244581 /nfs/dbraw/zinc/24/45/81/1067244581.db2.gz HVFZIUYXTIELBG-MRXNPFEDSA-N -1 1 455.407 4.808 20 0 JJADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 ZINC001452814034 1067255184 /nfs/dbraw/zinc/25/51/84/1067255184.db2.gz BWGIFFNRYDVZNK-UHFFFAOYSA-N -1 1 450.289 4.726 20 0 JJADMM Cc1nn(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 ZINC001453120219 1067280928 /nfs/dbraw/zinc/28/09/28/1067280928.db2.gz NFHUHTYMZMGBCR-UHFFFAOYSA-N -1 1 454.596 4.696 20 0 JJADMM O=C(CCc1cccc2ccccc21)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453125250 1067281396 /nfs/dbraw/zinc/28/13/96/1067281396.db2.gz JKWDGBCEFYBERN-GOTSBHOMSA-N -1 1 472.482 4.975 20 0 JJADMM CCCOc1cncc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)c1 ZINC001453632481 1067320118 /nfs/dbraw/zinc/32/01/18/1067320118.db2.gz JTESGRJOVXNLAL-UHFFFAOYSA-N -1 1 459.955 4.885 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC001453831326 1067331287 /nfs/dbraw/zinc/33/12/87/1067331287.db2.gz YZWMABXOUDTDLJ-HXUWFJFHSA-N -1 1 452.558 4.755 20 0 JJADMM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(OCC(F)(F)F)o1 ZINC001459935223 1067498464 /nfs/dbraw/zinc/49/84/64/1067498464.db2.gz IQKWZFRLDHDXPA-UHFFFAOYSA-N -1 1 453.320 4.890 20 0 JJADMM Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c(Br)c1 ZINC001460459935 1067638041 /nfs/dbraw/zinc/63/80/41/1067638041.db2.gz IAOXDKJNXQDCCO-IEBWSBKVSA-N -1 1 455.318 4.794 20 0 JJADMM O=C([N-]Cc1cc(Cl)cc(Br)c1)C(F)(F)c1ncccc1Br ZINC001460953241 1067753028 /nfs/dbraw/zinc/75/30/28/1067753028.db2.gz RGNQMJICMYTEHK-UHFFFAOYSA-N -1 1 454.496 4.668 20 0 JJADMM CCc1cc2c(CC(=O)N3c4ccccc4C[C@@H]3C[N-]C(=O)C(F)(F)F)csc2s1 ZINC001461028761 1067765209 /nfs/dbraw/zinc/76/52/09/1067765209.db2.gz ZRGXGZZSBSEALJ-CQSZACIVSA-N -1 1 452.523 4.704 20 0 JJADMM Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001461505388 1067878202 /nfs/dbraw/zinc/87/82/02/1067878202.db2.gz ONPJNFMLLVHNNO-UHFFFAOYSA-N -1 1 452.427 4.866 20 0 JJADMM CCSc1ccc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)c(Br)c1 ZINC001462210585 1068029973 /nfs/dbraw/zinc/02/99/73/1068029973.db2.gz MSIYITPQQFNKTC-UHFFFAOYSA-N -1 1 457.415 4.763 20 0 JJADMM [O-]c1c(Br)cc(CNCc2c(F)cccc2-n2cccn2)cc1Br ZINC001462250406 1068038138 /nfs/dbraw/zinc/03/81/38/1068038138.db2.gz XTHFTWYWDBXLML-UHFFFAOYSA-N -1 1 455.125 4.532 20 0 JJADMM O=C([N-][C@H]1CN(Cc2cc3cc(Cl)cnc3o2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001462423019 1068071163 /nfs/dbraw/zinc/07/11/63/1068071163.db2.gz BUJHLDAOZMWODR-ROUUACIJSA-N -1 1 455.839 4.657 20 0 JJADMM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Br ZINC001462741477 1068151243 /nfs/dbraw/zinc/15/12/43/1068151243.db2.gz MUPCEKSWZFESSR-UHFFFAOYSA-N -1 1 459.576 4.767 20 0 JJADMM CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135085 1068210997 /nfs/dbraw/zinc/21/09/97/1068210997.db2.gz NCZUHLKOZZTLEG-LPHOPBHVSA-N -1 1 458.839 4.684 20 0 JJADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br)N(C)c1ccccc1 ZINC001462922834 1068215973 /nfs/dbraw/zinc/21/59/73/1068215973.db2.gz JHTJODBNKLKBKW-NSHDSACASA-N -1 1 452.201 4.559 20 0 JJADMM O=S(=O)([N-]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(Cl)sc1Cl ZINC001462923668 1068215991 /nfs/dbraw/zinc/21/59/91/1068215991.db2.gz ITGDKFMJWXXTDG-UHFFFAOYSA-N -1 1 456.298 4.738 20 0 JJADMM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1 ZINC001462926431 1068216659 /nfs/dbraw/zinc/21/66/59/1068216659.db2.gz FUHDTYWVBXLISO-LLVKDONJSA-N -1 1 453.185 4.810 20 0 JJADMM O=S(=O)([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957242 1068229508 /nfs/dbraw/zinc/22/95/08/1068229508.db2.gz DIAGVEAZPDLMMC-BXUZGUMPSA-N -1 1 454.770 4.502 20 0 JJADMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCCC1 ZINC001462982867 1068238614 /nfs/dbraw/zinc/23/86/14/1068238614.db2.gz DSKVYYWLYFONAG-UHFFFAOYSA-N -1 1 457.821 4.986 20 0 JJADMM CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCCC1 ZINC001462992339 1068242199 /nfs/dbraw/zinc/24/21/99/1068242199.db2.gz QADXEKQMWHJEEK-UHFFFAOYSA-N -1 1 455.379 4.638 20 0 JJADMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058901 1068270095 /nfs/dbraw/zinc/27/00/95/1068270095.db2.gz JCZQOBWZKTYIFX-QWVSSGJLSA-N -1 1 452.545 4.741 20 0 JJADMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463184009 1068312970 /nfs/dbraw/zinc/31/29/70/1068312970.db2.gz COBGZDOUROBNAT-NSHDSACASA-N -1 1 453.185 4.810 20 0 JJADMM CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)Oc1cccc(F)c1 ZINC001463247594 1068334047 /nfs/dbraw/zinc/33/40/47/1068334047.db2.gz BCLIEQHUFBUHEN-GFCCVEGCSA-N -1 1 454.720 4.517 20 0 JJADMM Cn1ncc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1C(F)(F)F ZINC001463380578 1068377946 /nfs/dbraw/zinc/37/79/46/1068377946.db2.gz GNYLXWSVNHFFQX-UHFFFAOYSA-N -1 1 455.424 4.596 20 0 JJADMM Cc1nc([C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c2ccc(Cl)cc2)no1 ZINC001463430927 1068394784 /nfs/dbraw/zinc/39/47/84/1068394784.db2.gz ZNIGRQBVYVAZOP-QGZVFWFLSA-N -1 1 454.360 4.967 20 0 JJADMM CC(C)c1cccc(O[C@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c2ccccc2)c1 ZINC001463469751 1068411543 /nfs/dbraw/zinc/41/15/43/1068411543.db2.gz UITAQSAUZFEBCS-WTNAPCKOSA-N -1 1 462.512 4.846 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccccc1Cl ZINC001463490716 1068417698 /nfs/dbraw/zinc/41/76/98/1068417698.db2.gz MWRUGDSRTWUJPW-UHFFFAOYSA-N -1 1 457.560 4.571 20 0 JJADMM Cc1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463564082 1068445957 /nfs/dbraw/zinc/44/59/57/1068445957.db2.gz LAJMJHFXHGRTLG-LJQANCHMSA-N -1 1 456.951 4.823 20 0 JJADMM CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CCCCC1 ZINC001463565447 1068446686 /nfs/dbraw/zinc/44/66/86/1068446686.db2.gz RXYGPIHLIUILJJ-OAQYLSRUSA-N -1 1 450.988 4.983 20 0 JJADMM C/C=C(\C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(OCC)c(Br)c2)c1 ZINC001463595503 1068460192 /nfs/dbraw/zinc/46/01/92/1068460192.db2.gz MCGCNCDKVSSQEQ-YIXHJXPBSA-N -1 1 453.358 4.553 20 0 JJADMM CN(Cc1ccccc1Cl)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001463624933 1068471503 /nfs/dbraw/zinc/47/15/03/1068471503.db2.gz GFBQVLABANUQHB-UHFFFAOYSA-N -1 1 450.894 4.691 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1oc2ccccc2c1CO ZINC001463625523 1068471996 /nfs/dbraw/zinc/47/19/96/1068471996.db2.gz JAGQBOIWUPVWKG-UHFFFAOYSA-N -1 1 456.907 4.632 20 0 JJADMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(Cl)n1 ZINC001463652934 1068482500 /nfs/dbraw/zinc/48/25/00/1068482500.db2.gz IWYWIUGZUNYFBE-UHFFFAOYSA-N -1 1 450.347 4.679 20 0 JJADMM Nc1c(F)cc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001463655187 1068483225 /nfs/dbraw/zinc/48/32/25/1068483225.db2.gz UHXVTOZYDVOVPY-UHFFFAOYSA-N -1 1 454.310 4.768 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)cc1C ZINC001463708710 1068501377 /nfs/dbraw/zinc/50/13/77/1068501377.db2.gz GHZQFNWOTNBFCZ-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)c1 ZINC001463714633 1068502781 /nfs/dbraw/zinc/50/27/81/1068502781.db2.gz YQTPXAGZJVCDIN-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM O=S(=O)([N-]CC1(C2CCC2)CCC1)c1c(Br)cc(F)cc1Br ZINC001463829049 1068539289 /nfs/dbraw/zinc/53/92/89/1068539289.db2.gz RYCYNOWNFDJFPW-UHFFFAOYSA-N -1 1 455.187 4.599 20 0 JJADMM CC1(C)C[C@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC001463834824 1068541156 /nfs/dbraw/zinc/54/11/56/1068541156.db2.gz JSIHMCUZGMONOH-IBGZPJMESA-N -1 1 454.523 4.910 20 0 JJADMM Nc1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001463835730 1068541303 /nfs/dbraw/zinc/54/13/03/1068541303.db2.gz LOWKQIHPADEOOL-UHFFFAOYSA-N -1 1 454.310 4.768 20 0 JJADMM O=C(Nc1ccc(C(=O)NCCc2cccc(F)c2)c([O-])c1)c1cccc(Br)c1 ZINC001463844731 1068545961 /nfs/dbraw/zinc/54/59/61/1068545961.db2.gz RRHCGRDTKHRABC-UHFFFAOYSA-N -1 1 457.299 4.519 20 0 JJADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccc(OC)cc1 ZINC001463874019 1068552904 /nfs/dbraw/zinc/55/29/04/1068552904.db2.gz HMDSWRFPAVSZBC-DEOSSOPVSA-N -1 1 452.576 4.994 20 0 JJADMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)n1C1CCOCC1 ZINC001463879800 1068554608 /nfs/dbraw/zinc/55/46/08/1068554608.db2.gz JRVFYQOBJGGQKE-UHFFFAOYSA-N -1 1 453.564 4.510 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001463882927 1068555088 /nfs/dbraw/zinc/55/50/88/1068555088.db2.gz SFMMTAYWAABMAL-UHFFFAOYSA-N -1 1 457.939 4.577 20 0 JJADMM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC001464074594 1068606322 /nfs/dbraw/zinc/60/63/22/1068606322.db2.gz OYDCZIHYONVWQC-UHFFFAOYSA-N -1 1 456.539 4.688 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001464145515 1068633767 /nfs/dbraw/zinc/63/37/67/1068633767.db2.gz KCRYFVLQJVZEHJ-UHFFFAOYSA-N -1 1 450.347 4.937 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cnc(Cl)cc1C(F)(F)F ZINC001464163139 1068638851 /nfs/dbraw/zinc/63/88/51/1068638851.db2.gz YTORAVDYICMYNB-UHFFFAOYSA-N -1 1 455.845 4.807 20 0 JJADMM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464165499 1068640267 /nfs/dbraw/zinc/64/02/67/1068640267.db2.gz UDGXVPPGVSJQIP-HNNXBMFYSA-N -1 1 452.523 4.832 20 0 JJADMM Cc1ccc2snc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)c2c1 ZINC001464166309 1068640489 /nfs/dbraw/zinc/64/04/89/1068640489.db2.gz VJZXSYIKRQNKLI-UHFFFAOYSA-N -1 1 459.499 4.936 20 0 JJADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464166389 1068640896 /nfs/dbraw/zinc/64/08/96/1068640896.db2.gz WYOBURVYXOQDEQ-MSOLQXFVSA-N -1 1 456.514 4.973 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cccc(Cl)c3)cc2)c1 ZINC001464210217 1068659264 /nfs/dbraw/zinc/65/92/64/1068659264.db2.gz IQPKGNWMGOXDHY-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM CN(Cc1cc(Br)cs1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001464233407 1068667668 /nfs/dbraw/zinc/66/76/68/1068667668.db2.gz OQCLWFCNJIWDRP-UHFFFAOYSA-N -1 1 456.159 4.799 20 0 JJADMM CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)c1cc(C)ccc1C ZINC001464266094 1068682108 /nfs/dbraw/zinc/68/21/08/1068682108.db2.gz FQYAPYICVMBBIY-BVZFJXPGSA-N -1 1 459.431 4.508 20 0 JJADMM Cc1nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)c(Cl)c4)cc3)ccc2o1 ZINC001464340917 1068712208 /nfs/dbraw/zinc/71/22/08/1068712208.db2.gz PNEFYGKEYYQXAZ-UHFFFAOYSA-N -1 1 459.886 4.982 20 0 JJADMM CN(C)c1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1Cl ZINC001464348502 1068714443 /nfs/dbraw/zinc/71/44/43/1068714443.db2.gz MYRAQGXTUGFYPD-UHFFFAOYSA-N -1 1 455.139 4.916 20 0 JJADMM CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1(C)C ZINC001464349614 1068715071 /nfs/dbraw/zinc/71/50/71/1068715071.db2.gz OBBBMTJFCXMUNU-GOSISDBHSA-N -1 1 456.486 4.657 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4(C)C)cc2)cc1OC ZINC001464357606 1068718308 /nfs/dbraw/zinc/71/83/08/1068718308.db2.gz DOHTURYVBGQPEW-UHFFFAOYSA-N -1 1 458.580 4.660 20 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COc1ccc(C2(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3[O-])CCCC2)cc1 ZINC001464632302 1068804740 /nfs/dbraw/zinc/80/47/40/1068804740.db2.gz RLOJPBMVMIQVBV-UHFFFAOYSA-N -1 1 452.429 4.711 20 0 JJADMM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001545876532 1064292825 /nfs/dbraw/zinc/29/28/25/1064292825.db2.gz CRAGKORJINUOPR-UHFFFAOYSA-N -1 1 452.457 4.914 20 0 JJADMM CC(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001359795979 1064455426 /nfs/dbraw/zinc/45/54/26/1064455426.db2.gz RMNBITZKHAIHDC-GBXCKJPGSA-N -1 1 468.642 4.877 20 0 JJADMM CC(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001359796320 1064456420 /nfs/dbraw/zinc/45/64/20/1064456420.db2.gz YJNBBBDRRIOAOQ-FQEVSTJZSA-N -1 1 456.656 4.813 20 0 JJADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001359858190 1064545294 /nfs/dbraw/zinc/54/52/94/1064545294.db2.gz JLFOLSYQTKGQOX-MHZLTWQESA-N -1 1 457.578 4.751 20 0 JJADMM Cc1cc(-c2csc([N-]C(=O)c3sccc3S(=O)(=O)C(F)F)n2)c(F)cc1F ZINC001435412453 1064744766 /nfs/dbraw/zinc/74/47/66/1064744766.db2.gz VCUOYLJVZMTFRW-UHFFFAOYSA-N -1 1 450.460 4.707 20 0 JJADMM CC(C)COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001360067404 1064912170 /nfs/dbraw/zinc/91/21/70/1064912170.db2.gz XSXVFZDAKPHMLT-UHFFFAOYSA-N -1 1 498.027 4.861 20 0 JJADMM COc1c(Br)ccc(F)c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC001435978269 1065090280 /nfs/dbraw/zinc/09/02/80/1065090280.db2.gz HSBJJMSYCHMHKK-UHFFFAOYSA-N -1 1 456.724 4.945 20 0 JJADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2n1 ZINC001438062567 1065663124 /nfs/dbraw/zinc/66/31/24/1065663124.db2.gz JGHPVXSKNYQZNF-OGSNSTLMSA-N -1 1 460.365 4.514 20 0 JJADMM CCOC(=O)c1[n-]c(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc1Cl ZINC001439500864 1065835679 /nfs/dbraw/zinc/83/56/79/1065835679.db2.gz RGEUIRXKAFMQEF-MRXNPFEDSA-N -1 1 452.269 4.791 20 0 JJADMM COc1ccc2c(c1)c(C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)c(C)n2C1CCCC1 ZINC001440200177 1065923726 /nfs/dbraw/zinc/92/37/26/1065923726.db2.gz OXEBXUVOOVZKFM-KUHUBIRLSA-N -1 1 465.516 4.603 20 0 JJADMM Cc1ccc(NC(=O)c2cccc(OC(C)C)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440380260 1065934962 /nfs/dbraw/zinc/93/49/62/1065934962.db2.gz DEQXODWVMSIWBX-UHFFFAOYSA-N -1 1 459.955 4.884 20 0 JJADMM Cc1ccc(NC(=O)Cc2ccc3c(c2)COC3)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440384299 1065935978 /nfs/dbraw/zinc/93/59/78/1065935978.db2.gz JEAKRNGPMCSHNM-UHFFFAOYSA-N -1 1 456.951 4.661 20 0 JJADMM Cc1ccc(NC(=O)Cc2ccc3c(c2)COC3)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440392424 1065937239 /nfs/dbraw/zinc/93/72/39/1065937239.db2.gz ZEFFRKUANNJOIQ-UHFFFAOYSA-N -1 1 456.951 4.661 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccc4c(c3)CCO4)ccc2C)c1 ZINC001440577352 1065951812 /nfs/dbraw/zinc/95/18/12/1065951812.db2.gz KATPMRNWRZJMFA-UHFFFAOYSA-N -1 1 450.560 4.610 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC001440702382 1065967902 /nfs/dbraw/zinc/96/79/02/1065967902.db2.gz CPWKGZZCVACVAW-SYYKKAFVSA-N -1 1 456.608 4.975 20 0 JJADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(OC2CCCC2)nc1 ZINC001440737456 1065973398 /nfs/dbraw/zinc/97/33/98/1065973398.db2.gz KBCSHRBAOJSVJQ-UHFFFAOYSA-N -1 1 455.511 4.595 20 0 JJADMM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001440739879 1065973911 /nfs/dbraw/zinc/97/39/11/1065973911.db2.gz RLKHCSZDCBBKIQ-UWJYYQICSA-N -1 1 454.523 4.767 20 0 JJADMM Cc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)ccc1F ZINC001440767397 1065977463 /nfs/dbraw/zinc/97/74/63/1065977463.db2.gz CPADDNWVTPXGQF-UHFFFAOYSA-N -1 1 450.894 4.657 20 0 JJADMM O=C(NCC1(c2ccccc2)CCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001440770317 1065977837 /nfs/dbraw/zinc/97/78/37/1065977837.db2.gz VJIMXTAEYCZPBN-UHFFFAOYSA-N -1 1 452.551 4.868 20 0 JJADMM COc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1OC1CCCC1 ZINC001440768638 1065978022 /nfs/dbraw/zinc/97/80/22/1065978022.db2.gz GEQQWMBFQQWRII-UHFFFAOYSA-N -1 1 451.479 4.523 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c([O-])c1 ZINC001440870394 1065986337 /nfs/dbraw/zinc/98/63/37/1065986337.db2.gz NHWNVFPDLINIRP-UHFFFAOYSA-N -1 1 451.479 4.515 20 0 JJADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001441155352 1066011062 /nfs/dbraw/zinc/01/10/62/1066011062.db2.gz WUVGQNIWYLTKJK-UHFFFAOYSA-N -1 1 458.967 4.812 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)cc2)cc1 ZINC001441247070 1066020207 /nfs/dbraw/zinc/02/02/07/1066020207.db2.gz UDBMKZXODDWTTF-GKVQRAMASA-N -1 1 456.608 4.927 20 0 JJADMM CCOc1cc(C(=O)Nc2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc(Cl)c1[O-] ZINC001441301515 1066023877 /nfs/dbraw/zinc/02/38/77/1066023877.db2.gz WHCLHRHDYQIISS-UHFFFAOYSA-N -1 1 455.338 4.597 20 0 JJADMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)n1C1CCOCC1 ZINC001441350476 1066031519 /nfs/dbraw/zinc/03/15/19/1066031519.db2.gz TWDWRSXJSHBIIB-UHFFFAOYSA-N -1 1 453.564 4.510 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc2cc(O)ccc21 ZINC001441388261 1066036898 /nfs/dbraw/zinc/03/68/98/1066036898.db2.gz DSLAZNZAXXFUJW-UHFFFAOYSA-N -1 1 454.454 4.877 20 0 JJADMM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)n1 ZINC001441399867 1066037562 /nfs/dbraw/zinc/03/75/62/1066037562.db2.gz ATFQCWFNEJHMKW-MRXNPFEDSA-N -1 1 452.580 4.589 20 0 JJADMM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCC1 ZINC001441408840 1066038700 /nfs/dbraw/zinc/03/87/00/1066038700.db2.gz WKTFJBKFCCYGIM-OAQYLSRUSA-N -1 1 458.580 4.574 20 0 JJADMM O=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccc(I)c([O-])c1 ZINC001442118052 1066096533 /nfs/dbraw/zinc/09/65/33/1066096533.db2.gz MNBKVRGLZRCQQN-UHFFFAOYSA-N -1 1 453.295 4.768 20 0 JJADMM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1ccc(I)c([O-])c1 ZINC001442234916 1066105901 /nfs/dbraw/zinc/10/59/01/1066105901.db2.gz HGYFZXJTMHOGSO-UHFFFAOYSA-N -1 1 455.723 4.892 20 0 JJADMM Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001442393658 1066123095 /nfs/dbraw/zinc/12/30/95/1066123095.db2.gz HYKYKLPEFOJVBD-FQEVSTJZSA-N -1 1 452.576 4.610 20 0 JJADMM Cc1cc(O)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001545949401 1066130411 /nfs/dbraw/zinc/13/04/11/1066130411.db2.gz UKJZFAJTTZQBLN-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM O=C(NCc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001442846082 1066230715 /nfs/dbraw/zinc/23/07/15/1066230715.db2.gz WYAUNXDVAJPXAA-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC001454063199 1066242015 /nfs/dbraw/zinc/24/20/15/1066242015.db2.gz UFALVRLJKRYGBV-RUZDIDTESA-N -1 1 452.551 4.990 20 0 JJADMM COc1cccc(Nc2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[n-]c3=O)cc2)c1 ZINC001454105234 1066245283 /nfs/dbraw/zinc/24/52/83/1066245283.db2.gz NKCUAOSNDOLGQA-UHFFFAOYSA-N -1 1 455.518 4.876 20 0 JJADMM COc1cccc([C@@H](C)CC(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC001443020709 1066254038 /nfs/dbraw/zinc/25/40/38/1066254038.db2.gz FQUIUNMVQPFFRC-IBGZPJMESA-N -1 1 452.576 4.648 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001443023690 1066255556 /nfs/dbraw/zinc/25/55/56/1066255556.db2.gz REEGLSHMJYFIBR-UHFFFAOYSA-N -1 1 452.576 4.937 20 0 JJADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cs1 ZINC001454255681 1066258281 /nfs/dbraw/zinc/25/82/81/1066258281.db2.gz OBDFZUSKOBHYGI-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM O=C(NCc1ccc(Br)c(F)c1)c1c([O-])cnc2c(Br)cccc21 ZINC001443462700 1066314725 /nfs/dbraw/zinc/31/47/25/1066314725.db2.gz QJXAXSGNUNPPCF-UHFFFAOYSA-N -1 1 454.093 4.535 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@]3(O)CCCC(C)(C)CC3)cc2)c1C ZINC001454689059 1066319856 /nfs/dbraw/zinc/31/98/56/1066319856.db2.gz INEFNVCIWVZEFK-VWLOTQADSA-N -1 1 458.624 4.555 20 0 JJADMM O=C([N-]CC[C@H]1CN(C(=O)c2cc3c(ccnc3Cl)s2)c2ccccc21)C(F)(F)F ZINC001454939752 1066343889 /nfs/dbraw/zinc/34/38/89/1066343889.db2.gz YKYHNVQHIZLFEI-NSHDSACASA-N -1 1 453.873 4.762 20 0 JJADMM CC[C@H](C)Oc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC001455010185 1066353406 /nfs/dbraw/zinc/35/34/06/1066353406.db2.gz PKGAZXQCYVTTAO-SFHVURJKSA-N -1 1 453.564 4.929 20 0 JJADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC001455012893 1066353735 /nfs/dbraw/zinc/35/37/35/1066353735.db2.gz XRYWSUSGOOERKS-OAHLLOKOSA-N -1 1 459.955 4.965 20 0 JJADMM COc1ccc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC001443720800 1066356326 /nfs/dbraw/zinc/35/63/26/1066356326.db2.gz ZXWUPYCTUXFCEO-UHFFFAOYSA-N -1 1 454.548 4.844 20 0 JJADMM COc1ccc(C2CC2)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1 ZINC001455078855 1066358092 /nfs/dbraw/zinc/35/80/92/1066358092.db2.gz NTJRKERSTOUWJA-UHFFFAOYSA-N -1 1 458.486 4.904 20 0 JJADMM COc1ccccc1[C@@H](NC(=O)c1cc(I)ccc1[O-])c1ccccc1 ZINC001443762162 1066363987 /nfs/dbraw/zinc/36/39/87/1066363987.db2.gz KIWUECSXOGICLB-FQEVSTJZSA-N -1 1 459.283 4.525 20 0 JJADMM Cc1nc2c(s1)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc1C)CCC2 ZINC001546069283 1066365182 /nfs/dbraw/zinc/36/51/82/1066365182.db2.gz JBQQBMBKJUGXSM-FQEVSTJZSA-N -1 1 459.568 4.507 20 0 JJADMM O=C(NCCC[C@H]1C=CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001455422779 1066389216 /nfs/dbraw/zinc/38/92/16/1066389216.db2.gz ZIAYLLUCBUAZCI-INIZCTEOSA-N -1 1 452.498 4.982 20 0 JJADMM CCOc1ccc(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c2)cc1 ZINC001455484472 1066397198 /nfs/dbraw/zinc/39/71/98/1066397198.db2.gz DZZFEJQBBJBKIJ-UHFFFAOYSA-N -1 1 454.548 4.561 20 0 JJADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507725 1066399522 /nfs/dbraw/zinc/39/95/22/1066399522.db2.gz AIEFLYROTAFLTE-GCJKJVERSA-N -1 1 458.599 4.839 20 0 JJADMM CCOC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC001444171920 1066425661 /nfs/dbraw/zinc/42/56/61/1066425661.db2.gz PRNGVIOVAOICRC-AWEZNQCLSA-N -1 1 451.350 4.840 20 0 JJADMM CCCN(C(=O)c1ccc(I)cc1[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444322140 1066448825 /nfs/dbraw/zinc/44/88/25/1066448825.db2.gz HGHLOLGHXNBLAC-QZTJIDSGSA-N -1 1 457.352 4.587 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@]3(C)CCOC4(CCC4)C3)ccc2C)c1 ZINC001455916530 1066450281 /nfs/dbraw/zinc/45/02/81/1066450281.db2.gz KMNKZIZJOCKHGS-XMMPIXPASA-N -1 1 456.608 4.573 20 0 JJADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC001444512145 1066470983 /nfs/dbraw/zinc/47/09/83/1066470983.db2.gz VPAOFMRRARMLJX-QGZVFWFLSA-N -1 1 457.621 4.956 20 0 JJADMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC001444599827 1066480209 /nfs/dbraw/zinc/48/02/09/1066480209.db2.gz IEWKYNUMJJTNMQ-AWEZNQCLSA-N -1 1 457.299 4.577 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)COCC3CCCCC3)cc2)c1 ZINC001456025015 1066480515 /nfs/dbraw/zinc/48/05/15/1066480515.db2.gz LMMZKJYCFQCUGB-HXUWFJFHSA-N -1 1 458.624 4.819 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N=[S@](C)(=O)C(C)C)cc1 ZINC001456047668 1066492317 /nfs/dbraw/zinc/49/23/17/1066492317.db2.gz DDLZGJWRVZULOP-GDLZYMKVSA-N -1 1 450.626 4.740 20 0 JJADMM CO[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)(C)C ZINC001444699938 1066494524 /nfs/dbraw/zinc/49/45/24/1066494524.db2.gz AIACXGHTBJUGRC-SFHVURJKSA-N -1 1 459.395 4.585 20 0 JJADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)C1 ZINC001444811394 1066508123 /nfs/dbraw/zinc/50/81/23/1066508123.db2.gz NYKHMXYHRPICBU-MOPGFXCFSA-N -1 1 450.601 4.681 20 0 JJADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815031 1066508747 /nfs/dbraw/zinc/50/87/47/1066508747.db2.gz SXLIBUCXLYZPAM-IRXDYDNUSA-N -1 1 454.564 4.512 20 0 JJADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815032 1066508807 /nfs/dbraw/zinc/50/88/07/1066508807.db2.gz SXLIBUCXLYZPAM-SJORKVTESA-N -1 1 454.564 4.512 20 0 JJADMM Cc1cnc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C2CC2)s1 ZINC001444895593 1066516873 /nfs/dbraw/zinc/51/68/73/1066516873.db2.gz VLWWAURBMOCCLY-NRFANRHFSA-N -1 1 455.605 4.750 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)N(CCc1ccccc1)C1CC1 ZINC001456147894 1066522161 /nfs/dbraw/zinc/52/21/61/1066522161.db2.gz VVAWEAZYKMNHIY-UHFFFAOYSA-N -1 1 454.979 4.988 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445164689 1066541854 /nfs/dbraw/zinc/54/18/54/1066541854.db2.gz PKZMMLBHHJOFRE-MOPGFXCFSA-N -1 1 452.576 4.808 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)cc1C ZINC001445272837 1066551162 /nfs/dbraw/zinc/55/11/62/1066551162.db2.gz NWIWSROFGAHJQR-UHFFFAOYSA-N -1 1 454.514 4.909 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](c3cccnc3)C(C)C)cc2)cc1C ZINC001445291423 1066554453 /nfs/dbraw/zinc/55/44/53/1066554453.db2.gz RQEXZMYAUQNBOJ-XMMPIXPASA-N -1 1 451.592 4.669 20 0 JJADMM Cc1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001445328370 1066557117 /nfs/dbraw/zinc/55/71/17/1066557117.db2.gz FFWURDYTTCIONE-UHFFFAOYSA-N -1 1 456.543 4.958 20 0 JJADMM CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Oc1ccccc1Cl ZINC001445327707 1066557158 /nfs/dbraw/zinc/55/71/58/1066557158.db2.gz QQNVZZSKMDXJHC-IBGZPJMESA-N -1 1 458.967 4.728 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc1 ZINC001445370522 1066563341 /nfs/dbraw/zinc/56/33/41/1066563341.db2.gz WWJFUEIVRRPYEN-JOCHJYFZSA-N -1 1 455.555 4.641 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCCC3)nn2C)cc1 ZINC001445521778 1066580838 /nfs/dbraw/zinc/58/08/38/1066580838.db2.gz ZLYCMDPLMCLPFG-UHFFFAOYSA-N -1 1 452.580 4.829 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCOC[C@H]3C)cc2)c1C ZINC001545976757 1066589987 /nfs/dbraw/zinc/58/99/87/1066589987.db2.gz WOQOZZUETAKYJO-GOSISDBHSA-N -1 1 458.624 4.653 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCOC[C@@H]3C)cc2)c1C ZINC001545976758 1066590059 /nfs/dbraw/zinc/59/00/59/1066590059.db2.gz WOQOZZUETAKYJO-SFHVURJKSA-N -1 1 458.624 4.653 20 0 JJADMM CC(C)c1ccc(N(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1 ZINC001445607251 1066594644 /nfs/dbraw/zinc/59/46/44/1066594644.db2.gz QETRGIYPTTVOTN-UHFFFAOYSA-N -1 1 452.532 4.616 20 0 JJADMM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001445651398 1066598390 /nfs/dbraw/zinc/59/83/90/1066598390.db2.gz RHWUHVUNDZGSJU-MRXNPFEDSA-N -1 1 458.967 4.988 20 0 JJADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001445653188 1066598573 /nfs/dbraw/zinc/59/85/73/1066598573.db2.gz UVCVTKQEEHVUFX-QHCPKHFHSA-N -1 1 458.961 4.833 20 0 JJADMM CC1(C)C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c2ccccc21 ZINC001445720702 1066611267 /nfs/dbraw/zinc/61/12/67/1066611267.db2.gz LUXCINBHTKORSL-QFIPXVFZSA-N -1 1 456.514 4.918 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4c3cccc4Cl)c2)cc1 ZINC001446136453 1066663863 /nfs/dbraw/zinc/66/38/63/1066663863.db2.gz FISKLNJYKCWXPK-UHFFFAOYSA-N -1 1 456.951 4.742 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCC[C@H]3CC)c2)cc1 ZINC001446162234 1066667518 /nfs/dbraw/zinc/66/75/18/1066667518.db2.gz VGTFSBQWVSATOJ-VFNWGFHPSA-N -1 1 450.988 4.848 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCO[C@H](C)C3)cc2)c1C ZINC001446201271 1066674822 /nfs/dbraw/zinc/67/48/22/1066674822.db2.gz YJSMBYAIXIIQIQ-VGOFRKELSA-N -1 1 458.624 4.699 20 0 JJADMM O=C(Nc1ccc(C(=O)N2CCc3ccsc3C2)c([O-])c1)c1cccc(Br)c1 ZINC001456804417 1066695307 /nfs/dbraw/zinc/69/53/07/1066695307.db2.gz MIULFPWFLIGKRR-UHFFFAOYSA-N -1 1 457.349 4.667 20 0 JJADMM CCCOc1cccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC001446396980 1066701924 /nfs/dbraw/zinc/70/19/24/1066701924.db2.gz WNEFYBJBXYYNTR-UHFFFAOYSA-N -1 1 452.576 4.557 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)ccc3O)c2)cc1 ZINC001446454564 1066706274 /nfs/dbraw/zinc/70/62/74/1066706274.db2.gz CHDFDYMEDLRLNF-UHFFFAOYSA-N -1 1 454.548 4.751 20 0 JJADMM CC(C)[C@@H]1CCc2nc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)sc2C1 ZINC001456886671 1066714347 /nfs/dbraw/zinc/71/43/47/1066714347.db2.gz MLYBNQWHZSRCLQ-MRXNPFEDSA-N -1 1 455.605 4.957 20 0 JJADMM Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc1)CCC2 ZINC001446640260 1066727785 /nfs/dbraw/zinc/72/77/85/1066727785.db2.gz GZRJKSSCDIFTNF-NRFANRHFSA-N -1 1 455.605 4.677 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)c2)c1 ZINC001456972363 1066732786 /nfs/dbraw/zinc/73/27/86/1066732786.db2.gz VPIPWFZOBQIGEM-OAQYLSRUSA-N -1 1 454.979 4.655 20 0 JJADMM CCCc1ncc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])s1 ZINC001446717628 1066734128 /nfs/dbraw/zinc/73/41/28/1066734128.db2.gz YDHQTPFBEDRMMF-UHFFFAOYSA-N -1 1 451.957 4.508 20 0 JJADMM Cn1ccc2ccc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[O-])cc21 ZINC001446716574 1066734272 /nfs/dbraw/zinc/73/42/72/1066734272.db2.gz VLHFNVBVSQQFTG-UHFFFAOYSA-N -1 1 455.923 4.590 20 0 JJADMM COc1cc(Br)cc2sc(NC(=O)c3cc(Br)ccc3[O-])nc21 ZINC001457067384 1066754062 /nfs/dbraw/zinc/75/40/62/1066754062.db2.gz LSUDWVDACDLYMJ-UHFFFAOYSA-N -1 1 458.131 4.788 20 0 JJADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001447105335 1066773773 /nfs/dbraw/zinc/77/37/73/1066773773.db2.gz HUPZFXLLKHNRNK-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM COCC[C@@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c2ccccc21 ZINC001457193177 1066783936 /nfs/dbraw/zinc/78/39/36/1066783936.db2.gz RVDPUSXZABWMRK-AWEZNQCLSA-N -1 1 452.429 4.674 20 0 JJADMM COc1cc2[n-]cc(C(=O)Nc3cc(Cl)c(C)cc3Br)c(=O)c2c(OC)c1 ZINC001447488315 1066814493 /nfs/dbraw/zinc/81/44/93/1066814493.db2.gz HGSIISXPAMYMGI-UHFFFAOYSA-N -1 1 451.704 4.522 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C(F)(F)F)CC[C@H]3C)c2)c1 ZINC001447594403 1066827223 /nfs/dbraw/zinc/82/72/23/1066827223.db2.gz JHOPKXBKQHRMJD-IAGOWNOFSA-N -1 1 454.514 4.907 20 0 JJADMM CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(C(=O)c3cc(F)ccc3[O-])CC2)Oc2ccccc21 ZINC001457430025 1066830782 /nfs/dbraw/zinc/83/07/82/1066830782.db2.gz SKHWFQQOYWMSDY-LJQANCHMSA-N -1 1 456.514 4.555 20 0 JJADMM Cc1ccc([C@@H]2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)C2)cc1 ZINC001447631893 1066832620 /nfs/dbraw/zinc/83/26/20/1066832620.db2.gz LFGIBQRZZNLGAV-OAQYLSRUSA-N -1 1 452.551 4.873 20 0 JJADMM CCCn1ccc(C[N-]C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)c1 ZINC001447648636 1066835435 /nfs/dbraw/zinc/83/54/35/1066835435.db2.gz XQLDZVZFFKUKSP-UHFFFAOYSA-N -1 1 455.221 4.967 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)ccc2C)c1 ZINC001447714201 1066845750 /nfs/dbraw/zinc/84/57/50/1066845750.db2.gz AMFXEUFLGRTELO-QFIPXVFZSA-N -1 1 456.608 4.716 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)[C@]12CCC[C@H]1OCC2 ZINC001457522114 1066850956 /nfs/dbraw/zinc/85/09/56/1066850956.db2.gz UJSIMEGNSYLQFR-NQIIRXRSSA-N -1 1 468.547 4.700 20 0 JJADMM CCOC(=O)c1cnn(-c2cccc(NC(=O)c3c([O-])cnc4ccc(Cl)cc43)c2)c1C ZINC001457529317 1066853026 /nfs/dbraw/zinc/85/30/26/1066853026.db2.gz DAQHDSVKUYWISF-UHFFFAOYSA-N -1 1 450.882 4.517 20 0 JJADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1csc(Cc2ccc(F)cc2)n1 ZINC001447783721 1066856358 /nfs/dbraw/zinc/85/63/58/1066856358.db2.gz DRRSVOZMAWZKDR-UHFFFAOYSA-N -1 1 453.539 4.893 20 0 JJADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1[O-] ZINC001447787969 1066856988 /nfs/dbraw/zinc/85/69/88/1066856988.db2.gz YENBYXVHSAMKFB-QHCPKHFHSA-N -1 1 453.558 4.587 20 0 JJADMM Cn1c(C(=O)Nc2nc(Br)ccc2[O-])ccc1-c1ccc(Br)cc1 ZINC001447929392 1066877538 /nfs/dbraw/zinc/87/75/38/1066877538.db2.gz MSIARHSXGMXKEP-UHFFFAOYSA-N -1 1 451.118 4.570 20 0 JJADMM CSCc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC001447945562 1066879957 /nfs/dbraw/zinc/87/99/57/1066879957.db2.gz NYYBKTDZWDJWMB-UHFFFAOYSA-N -1 1 458.580 4.728 20 0 JJADMM CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3[O-])nnc2-c2ccco2)cc1 ZINC001457716321 1066903403 /nfs/dbraw/zinc/90/34/03/1066903403.db2.gz RWOAWRWFJGVALP-UHFFFAOYSA-N -1 1 454.483 4.502 20 0 JJADMM CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)cc1 ZINC001457715338 1066903445 /nfs/dbraw/zinc/90/34/45/1066903445.db2.gz MUBBSTCBIORWMW-UHFFFAOYSA-N -1 1 456.539 4.560 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCC(C)(C)O3)cc2)c(C)c1C ZINC001448168008 1066906183 /nfs/dbraw/zinc/90/61/83/1066906183.db2.gz ZAGUESODDFKPKQ-QFIPXVFZSA-N -1 1 458.624 4.717 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC3CC(c4ccccc4)C3)c2)cc1F ZINC001448230945 1066912287 /nfs/dbraw/zinc/91/22/87/1066912287.db2.gz TYFZOUDIXSUKJK-UHFFFAOYSA-N -1 1 452.551 4.859 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@](F)(c4ccccc4)C3)ccc2C)c1 ZINC001448239037 1066914111 /nfs/dbraw/zinc/91/41/11/1066914111.db2.gz DADILDXTCRITPP-RUZDIDTESA-N -1 1 452.551 4.815 20 0 JJADMM C[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308530 1066917162 /nfs/dbraw/zinc/91/71/62/1066917162.db2.gz QJEUZRFHWYVRIJ-GOEBONIOSA-N -1 1 455.407 4.889 20 0 JJADMM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001546094278 1066928378 /nfs/dbraw/zinc/92/83/78/1066928378.db2.gz DEWASUZOEBAHRH-UHFFFAOYSA-N -1 1 452.866 4.995 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC001457857563 1066932931 /nfs/dbraw/zinc/93/29/31/1066932931.db2.gz PYKZSVGISJTKIT-LBZQVFOQSA-N -1 1 456.514 4.750 20 0 JJADMM CCO[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC001448686229 1066950786 /nfs/dbraw/zinc/95/07/86/1066950786.db2.gz GCWCCEMPWKCBOO-QFIPXVFZSA-N -1 1 458.967 4.648 20 0 JJADMM O=C(Nc1ccc2c(n1)CCCC2)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001457981109 1066951196 /nfs/dbraw/zinc/95/11/96/1066951196.db2.gz DAQKKXASKLXXMX-UHFFFAOYSA-N -1 1 459.930 4.806 20 0 JJADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1[nH]c2ccccc2c1Cl ZINC001545694985 1066962745 /nfs/dbraw/zinc/96/27/45/1066962745.db2.gz AEVAXHAGBFDSAA-UHFFFAOYSA-N -1 1 457.914 4.691 20 0 JJADMM CCC(CC)(NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nn[n-]n1 ZINC001449019859 1066977477 /nfs/dbraw/zinc/97/74/77/1066977477.db2.gz VUFFFQGEHUDISZ-UHFFFAOYSA-N -1 1 450.974 4.620 20 0 JJADMM O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001449040353 1066978659 /nfs/dbraw/zinc/97/86/59/1066978659.db2.gz HKTPFBZFFDOQGI-LJQANCHMSA-N -1 1 452.429 4.660 20 0 JJADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203719 1066989416 /nfs/dbraw/zinc/98/94/16/1066989416.db2.gz MKXDREOJHJYXAC-KOSHJBKYSA-N -1 1 452.551 4.779 20 0 JJADMM CSc1ccc(NC(=O)Cn2cc([N-]c3nc(-c4cc(F)cc(F)c4)ns3)cn2)cc1 ZINC001458162789 1066993490 /nfs/dbraw/zinc/99/34/90/1066993490.db2.gz CKVVNYBVBRWDTH-UHFFFAOYSA-N -1 1 458.519 4.784 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N(Cc1ccccc1F)C1CCC1 ZINC001545735207 1066998340 /nfs/dbraw/zinc/99/83/40/1066998340.db2.gz RHCAKUAOZYQIJJ-UHFFFAOYSA-N -1 1 456.514 4.961 20 0 JJADMM CC[C@H](c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545738273 1067002186 /nfs/dbraw/zinc/00/21/86/1067002186.db2.gz FKVDXFHANQADAX-FQEVSTJZSA-N -1 1 495.590 4.530 20 0 JJADMM CCCCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCCC[C@H]1OC ZINC001449540130 1067014171 /nfs/dbraw/zinc/01/41/71/1067014171.db2.gz IGNMSLGSCOLIBD-DNQXCXABSA-N -1 1 476.614 4.755 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CC)c(OC)c3)c2)cc1 ZINC001449696939 1067021093 /nfs/dbraw/zinc/02/10/93/1067021093.db2.gz FDGWHYPWVNUONF-UHFFFAOYSA-N -1 1 454.548 4.709 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc4c(n3)CCC4)c2)cc1C ZINC001449739794 1067024361 /nfs/dbraw/zinc/02/43/61/1067024361.db2.gz NXWKZCYEUFEFSL-UHFFFAOYSA-N -1 1 455.967 4.894 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c([O-])c1)c1cccc(Br)c1 ZINC001545752819 1067028967 /nfs/dbraw/zinc/02/89/67/1067028967.db2.gz DRTZXSYYUBVNIG-HNNXBMFYSA-N -1 1 453.283 4.715 20 0 JJADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001449943265 1067038129 /nfs/dbraw/zinc/03/81/29/1067038129.db2.gz WEWVRIHCBGGHFX-AWEZNQCLSA-N -1 1 458.139 4.705 20 0 JJADMM CCOc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)ccc2o1 ZINC001449945692 1067038208 /nfs/dbraw/zinc/03/82/08/1067038208.db2.gz USYDEHQNHRHJKR-UHFFFAOYSA-N -1 1 451.504 4.588 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cscc3Br)c2)cc1 ZINC001450324129 1067071349 /nfs/dbraw/zinc/07/13/49/1067071349.db2.gz HASCMMVJPKYQDI-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM COC1(CCNC(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CCC1 ZINC001450404894 1067076885 /nfs/dbraw/zinc/07/68/85/1067076885.db2.gz DLWDIGUKGHIXGL-UHFFFAOYSA-N -1 1 458.624 4.719 20 0 JJADMM C[C@@H]1CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001458519117 1067079373 /nfs/dbraw/zinc/07/93/73/1067079373.db2.gz ULCZDPONHZEXJV-ACJLOTCBSA-N -1 1 452.908 4.569 20 0 JJADMM O=C(NC[C@H]1CCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC001545785304 1067081593 /nfs/dbraw/zinc/08/15/93/1067081593.db2.gz PWPHNZFDULUXMK-HXUWFJFHSA-N -1 1 452.601 4.780 20 0 JJADMM CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1)OC ZINC001545791416 1067088756 /nfs/dbraw/zinc/08/87/56/1067088756.db2.gz RKSRBZLUBMUMKH-UHFFFAOYSA-N -1 1 497.665 4.644 20 0 JJADMM Cc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001450729851 1067112252 /nfs/dbraw/zinc/11/22/52/1067112252.db2.gz NNKJCHWRTIIJFN-QRQCRPRQSA-N -1 1 456.951 4.701 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)c2)c1 ZINC001545810713 1067138859 /nfs/dbraw/zinc/13/88/59/1067138859.db2.gz BDPZXMACFVHBKL-UHFFFAOYSA-N -1 1 456.474 4.862 20 0 JJADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001451043070 1067142560 /nfs/dbraw/zinc/14/25/60/1067142560.db2.gz XHCLCPWFVKBUPC-MRXNPFEDSA-N -1 1 458.967 4.949 20 0 JJADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001451054429 1067144083 /nfs/dbraw/zinc/14/40/83/1067144083.db2.gz BGEBNHIDRLZZQX-MRXNPFEDSA-N -1 1 458.967 4.949 20 0 JJADMM CC1(C)[C@@H](CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1c1ccccc1 ZINC001451109961 1067146776 /nfs/dbraw/zinc/14/67/76/1067146776.db2.gz UIFROFXASUCNKV-REWPJTCUSA-N -1 1 470.541 4.935 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4cccc(Cl)c4C3)cc2)c1 ZINC001451142390 1067149341 /nfs/dbraw/zinc/14/93/41/1067149341.db2.gz GWVLVJDAUDXGEW-UHFFFAOYSA-N -1 1 454.979 4.956 20 0 JJADMM COC1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC1 ZINC001451184137 1067152675 /nfs/dbraw/zinc/15/26/75/1067152675.db2.gz ZACFOLOYILXIDY-UHFFFAOYSA-N -1 1 458.624 4.717 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nccn3C3CC3)cc2)c(C)c1C ZINC001451323984 1067159322 /nfs/dbraw/zinc/15/93/22/1067159322.db2.gz IMYXXGDTWCRZJU-UHFFFAOYSA-N -1 1 452.580 4.813 20 0 JJADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC001545821296 1067160431 /nfs/dbraw/zinc/16/04/31/1067160431.db2.gz ZJHBKHBGEXIIFT-UHFFFAOYSA-N -1 1 454.886 4.671 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC4(CCCC4)[C@@H]3C(C)C)cc2)cc1 ZINC001451384473 1067162545 /nfs/dbraw/zinc/16/25/45/1067162545.db2.gz IUOGWKHXXAVDMI-QHCPKHFHSA-N -1 1 456.608 4.927 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3OCC)cc2)cc1 ZINC001545829094 1067179165 /nfs/dbraw/zinc/17/91/65/1067179165.db2.gz OFYBUKLCDVTXIV-UHFFFAOYSA-N -1 1 454.548 4.561 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2ccc(Cl)c(Cl)c2)c1 ZINC001546105249 1067213092 /nfs/dbraw/zinc/21/30/92/1067213092.db2.gz ADBBFKKJBBBBKX-UHFFFAOYSA-N -1 1 459.395 4.691 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1cccc2ncccc21 ZINC001546105823 1067236937 /nfs/dbraw/zinc/23/69/37/1067236937.db2.gz XUKIVGPFADLSFV-UHFFFAOYSA-N -1 1 453.907 4.647 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1CC2(CCC2)C1 ZINC001452759001 1067248977 /nfs/dbraw/zinc/24/89/77/1067248977.db2.gz PUHFVUMVHMOFKZ-UHFFFAOYSA-N -1 1 453.391 4.786 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@]4(CC4(F)F)C3)c2)c1 ZINC001452759310 1067249148 /nfs/dbraw/zinc/24/91/48/1067249148.db2.gz AMPNCCMFSSISQF-HXUWFJFHSA-N -1 1 454.926 4.711 20 0 JJADMM COc1ccc([C@@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001452952761 1067267215 /nfs/dbraw/zinc/26/72/15/1067267215.db2.gz BZRVQTZLURKPMU-RDJZCZTQSA-N -1 1 460.512 4.660 20 0 JJADMM CCC[C@@H](C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001452969401 1067269727 /nfs/dbraw/zinc/26/97/27/1067269727.db2.gz ZSZQXIRWTPLZFQ-ZVDOUQERSA-N -1 1 480.502 4.781 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccc(C)cc4C3)c2)c1 ZINC001452979202 1067269998 /nfs/dbraw/zinc/26/99/98/1067269998.db2.gz UGSTWLOWHKWXGV-UHFFFAOYSA-N -1 1 454.979 4.956 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccnc4ccccc34)c2)c1 ZINC001453066673 1067276174 /nfs/dbraw/zinc/27/61/74/1067276174.db2.gz KQXKDTTWOUJJRF-UHFFFAOYSA-N -1 1 459.571 4.625 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc4ccc(O)cc4c3[O-])CC2)C1 ZINC001453316561 1067296812 /nfs/dbraw/zinc/29/68/12/1067296812.db2.gz CUFYNZPFFRCRBV-LJQANCHMSA-N -1 1 454.567 4.750 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3ccccc3-c3ncco3)c2)c1 ZINC001453767268 1067327973 /nfs/dbraw/zinc/32/79/73/1067327973.db2.gz HTLSNCVHIKEXCN-UHFFFAOYSA-N -1 1 459.458 4.569 20 0 JJADMM O=C([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)c1ncccc1Br ZINC001459830508 1067443590 /nfs/dbraw/zinc/44/35/90/1067443590.db2.gz BMJRGQGZUHPAPB-LLVKDONJSA-N -1 1 452.082 4.883 20 0 JJADMM Cc1sc2[nH]c(CN3CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC001460510458 1067646649 /nfs/dbraw/zinc/64/66/49/1067646649.db2.gz AUISPKYRBMIVPK-CJNGLKHVSA-N -1 1 478.540 4.570 20 0 JJADMM CCC(CC)(C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1 ZINC001460590159 1067663591 /nfs/dbraw/zinc/66/35/91/1067663591.db2.gz RRIGTOUDGDADRD-CYBMUJFWSA-N -1 1 453.332 4.968 20 0 JJADMM C[C@H](CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001461024713 1067764079 /nfs/dbraw/zinc/76/40/79/1067764079.db2.gz GQRYXRDIKRNJLS-HIFRSBDPSA-N -1 1 458.402 4.835 20 0 JJADMM O=C(CCCSc1ccc(Cl)cc1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001461028170 1067764719 /nfs/dbraw/zinc/76/47/19/1067764719.db2.gz XNQFUGAKRWAEQG-MRXNPFEDSA-N -1 1 456.917 4.849 20 0 JJADMM Cc1ccccc1C1=CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)C1 ZINC001546121777 1067784895 /nfs/dbraw/zinc/78/48/95/1067784895.db2.gz LFPKMHDBBCWZQN-UHFFFAOYSA-N -1 1 454.498 4.613 20 0 JJADMM Cc1cc(C)n(-c2ccc(CC[N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)n1 ZINC001462834264 1068183871 /nfs/dbraw/zinc/18/38/71/1068183871.db2.gz SHGCJYHEUBRSPS-UHFFFAOYSA-N -1 1 458.798 4.970 20 0 JJADMM CCOC(=O)c1nc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[n-]c1Cl ZINC001462919630 1068214347 /nfs/dbraw/zinc/21/43/47/1068214347.db2.gz MRXFXMDCSQFYBT-UHFFFAOYSA-N -1 1 459.742 4.851 20 0 JJADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957246 1068229593 /nfs/dbraw/zinc/22/95/93/1068229593.db2.gz DIAGVEAZPDLMMC-FZMZJTMJSA-N -1 1 454.770 4.502 20 0 JJADMM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001462981999 1068238558 /nfs/dbraw/zinc/23/85/58/1068238558.db2.gz AQBKHVMYZQVAQP-QMMMGPOBSA-N -1 1 458.592 4.714 20 0 JJADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001463037240 1068259680 /nfs/dbraw/zinc/25/96/80/1068259680.db2.gz BPQNNKRUJIPAGO-INIZCTEOSA-N -1 1 454.495 4.592 20 0 JJADMM CN(C)c1ccc(N2CCC([N-]S(=O)(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC001463180039 1068311435 /nfs/dbraw/zinc/31/14/35/1068311435.db2.gz SVHVQCOMLAEUIP-UHFFFAOYSA-N -1 1 450.029 4.568 20 0 JJADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1nc(C2CCCCC2)no1 ZINC001463183369 1068312760 /nfs/dbraw/zinc/31/27/60/1068312760.db2.gz CYEHGXXHEGLUER-CQSZACIVSA-N -1 1 453.992 4.989 20 0 JJADMM O=S(=O)([N-]C1(c2cccc(C(F)(F)F)c2)CCC1)c1c(F)cccc1Br ZINC001463193532 1068316245 /nfs/dbraw/zinc/31/62/45/1068316245.db2.gz LSYMNZSMESSWJE-UHFFFAOYSA-N -1 1 452.267 4.965 20 0 JJADMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463292987 1068346853 /nfs/dbraw/zinc/34/68/53/1068346853.db2.gz MCWKKDZDEOGYNE-BMIGLBTASA-N -1 1 453.185 4.546 20 0 JJADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC001463391564 1068381707 /nfs/dbraw/zinc/38/17/07/1068381707.db2.gz MYSJJJWOBPUUOU-SFHVURJKSA-N -1 1 457.857 4.705 20 0 JJADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC001463391529 1068382135 /nfs/dbraw/zinc/38/21/35/1068382135.db2.gz MYSJJJWOBPUUOU-GOSISDBHSA-N -1 1 457.857 4.705 20 0 JJADMM Cc1c(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001463411703 1068389101 /nfs/dbraw/zinc/38/91/01/1068389101.db2.gz MMWUTRDTZLTFIK-LJQANCHMSA-N -1 1 457.905 4.676 20 0 JJADMM O=S(=O)([N-]C1(c2ccc(F)cc2F)CCC1)c1c(Cl)cc(F)cc1Br ZINC001463458536 1068406774 /nfs/dbraw/zinc/40/67/74/1068406774.db2.gz HJFZOHSQMQPAAZ-UHFFFAOYSA-N -1 1 454.695 4.878 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(NC(C)C)nc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463564649 1068445612 /nfs/dbraw/zinc/44/56/12/1068445612.db2.gz NXJYBPIMVUVXNJ-UHFFFAOYSA-N -1 1 458.971 4.917 20 0 JJADMM Cc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463566162 1068447421 /nfs/dbraw/zinc/44/74/21/1068447421.db2.gz XNGWNXBUEFBGDJ-FOIQADDNSA-N -1 1 450.988 4.983 20 0 JJADMM CC(C)(F)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001463573401 1068451846 /nfs/dbraw/zinc/45/18/46/1068451846.db2.gz CDSNTYHXCRCFFE-UHFFFAOYSA-N -1 1 453.967 4.818 20 0 JJADMM O=C(CCC1CCCCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001463584361 1068456968 /nfs/dbraw/zinc/45/69/68/1068456968.db2.gz OSEDLKOTANFRAI-UHFFFAOYSA-N -1 1 458.580 4.948 20 0 JJADMM O=S(=O)([N-][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1c(F)cccc1Br ZINC001463607549 1068464725 /nfs/dbraw/zinc/46/47/25/1068464725.db2.gz HRRMAQWECRXRDS-AULYBMBSSA-N -1 1 452.267 4.832 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)[C@@H]1C[C@H]1c1ccncc1 ZINC001463621470 1068469366 /nfs/dbraw/zinc/46/93/66/1068469366.db2.gz WEONIOOUKSSCFX-VQTJNVASSA-N -1 1 461.465 4.643 20 0 JJADMM CCCC[C@@H](O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001463624385 1068471477 /nfs/dbraw/zinc/47/14/77/1068471477.db2.gz IHUQZFXJHCEEER-GOSISDBHSA-N -1 1 458.502 4.776 20 0 JJADMM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(Br)c(Cl)cc1Cl ZINC001463625925 1068472089 /nfs/dbraw/zinc/47/20/89/1068472089.db2.gz WHLOXJJOPDGORA-FUXBKTLASA-N -1 1 457.123 4.869 20 0 JJADMM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463631254 1068475522 /nfs/dbraw/zinc/47/55/22/1068475522.db2.gz GDTNMTMRLWIXSY-JTQLQIEISA-N -1 1 453.185 4.674 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3(Cc4ccc(O)cc4)CC3)ccc2C)c1 ZINC001463678464 1068491024 /nfs/dbraw/zinc/49/10/24/1068491024.db2.gz PBFDPLFBANQPIX-UHFFFAOYSA-N -1 1 450.560 4.771 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2)c1 ZINC001463747230 1068511365 /nfs/dbraw/zinc/51/13/65/1068511365.db2.gz BAFMJJULTIAIAF-OAHLLOKOSA-N -1 1 455.605 4.938 20 0 JJADMM O=S(=O)([N-]Cc1c(Cl)cccc1-n1ccnc1)c1c(Cl)cc(Cl)cc1Cl ZINC001463761044 1068515936 /nfs/dbraw/zinc/51/59/36/1068515936.db2.gz PCBRSOZZJVQFMJ-UHFFFAOYSA-N -1 1 451.162 4.964 20 0 JJADMM CCN(CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccccc1 ZINC001463780159 1068522664 /nfs/dbraw/zinc/52/26/64/1068522664.db2.gz YJLPEYPGLAAUEG-UHFFFAOYSA-N -1 1 453.489 4.569 20 0 JJADMM 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459.365 4.992 20 0 JJADMM Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001440836534 1065983266 /nfs/dbraw/zinc/98/32/66/1065983266.db2.gz SJPZTMGXHFWDHZ-UHFFFAOYSA-N -1 1 452.551 4.787 20 0 JJADMM Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001441075708 1066006035 /nfs/dbraw/zinc/00/60/35/1066006035.db2.gz HGSPLTDTQDFECU-FQEVSTJZSA-N -1 1 452.551 4.785 20 0 JJADMM O=C(NCc1c(F)cccc1Cl)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001441114758 1066008286 /nfs/dbraw/zinc/00/82/86/1066008286.db2.gz DYOIPIGPUFOUMW-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)c([O-])c2)c1 ZINC001441214693 1066015713 /nfs/dbraw/zinc/01/57/13/1066015713.db2.gz GFNDPAPSYDEOIF-FCHUYYIVSA-N -1 1 454.567 4.996 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1csc(NC2CCCCC2)n1 ZINC001441345515 1066030866 /nfs/dbraw/zinc/03/08/66/1066030866.db2.gz DYFSTFANDVVEJG-UHFFFAOYSA-N -1 1 456.593 4.941 20 0 JJADMM Cc1ccc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441353755 1066032534 /nfs/dbraw/zinc/03/25/34/1066032534.db2.gz PGTZJVDQLQKNJC-INIZCTEOSA-N -1 1 454.573 4.631 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cnc2c(F)cccc2c1 ZINC001441389440 1066036872 /nfs/dbraw/zinc/03/68/72/1066036872.db2.gz JFYVAWRTGDQEJB-UHFFFAOYSA-N -1 1 457.433 4.705 20 0 JJADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001441387974 1066036912 /nfs/dbraw/zinc/03/69/12/1066036912.db2.gz BTEWGDKRZWCVEA-OAQYLSRUSA-N -1 1 452.523 4.832 20 0 JJADMM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)n1 ZINC001441399866 1066037599 /nfs/dbraw/zinc/03/75/99/1066037599.db2.gz ATFQCWFNEJHMKW-INIZCTEOSA-N -1 1 452.580 4.589 20 0 JJADMM COc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(OCC(C)C)c1 ZINC001441405489 1066038347 /nfs/dbraw/zinc/03/83/47/1066038347.db2.gz MNXNHEMHKLQNQE-UHFFFAOYSA-N -1 1 454.548 4.783 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C(C)C)cc3)c2)cc1 ZINC001441430384 1066041334 /nfs/dbraw/zinc/04/13/34/1066041334.db2.gz UCHPVNONVLGJKS-UHFFFAOYSA-N -1 1 452.576 4.728 20 0 JJADMM Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)c(Cl)c4)cc3)cc2n1 ZINC001441880592 1066076931 /nfs/dbraw/zinc/07/69/31/1066076931.db2.gz IHEOHYIQUPTXPQ-UHFFFAOYSA-N -1 1 459.886 4.982 20 0 JJADMM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1nc[n-]c1C(=O)c1ccccc1 ZINC001442078290 1066090823 /nfs/dbraw/zinc/09/08/23/1066090823.db2.gz HFGIMZLDUNHIQB-UHFFFAOYSA-N -1 1 456.449 4.959 20 0 JJADMM CCO[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001442163466 1066098843 /nfs/dbraw/zinc/09/88/43/1066098843.db2.gz QOJPXGPNQATBLJ-QHCPKHFHSA-N -1 1 458.624 4.671 20 0 JJADMM Cc1c([C@H](C)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])cnn1-c1ccc(F)cc1 ZINC001442609369 1066144343 /nfs/dbraw/zinc/14/43/43/1066144343.db2.gz IDGDSWSVCXOZRX-AWEZNQCLSA-N -1 1 454.502 4.863 20 0 JJADMM Cc1ccc(OCCCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC001442678350 1066151259 /nfs/dbraw/zinc/15/12/59/1066151259.db2.gz HQLRHLNLSMUFNZ-UHFFFAOYSA-N -1 1 452.576 4.612 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC[C@H]2CCCOC2)cc1 ZINC001453972982 1066227867 /nfs/dbraw/zinc/22/78/67/1066227867.db2.gz NYLSGQZDPLPQEW-LJQANCHMSA-N -1 1 458.624 4.640 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC(F)(F)c2ccccc2C)c1 ZINC001454068096 1066242847 /nfs/dbraw/zinc/24/28/47/1066242847.db2.gz YDIITKYEEVEMIK-UHFFFAOYSA-N -1 1 458.530 4.934 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2)cc1C ZINC001442944224 1066244452 /nfs/dbraw/zinc/24/44/52/1066244452.db2.gz UVRHAQWTQLWVLV-QHCPKHFHSA-N -1 1 450.560 4.748 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3([C@@H]4CCCCO4)CCC3)cc2)c1C ZINC001454267281 1066260809 /nfs/dbraw/zinc/26/08/09/1066260809.db2.gz JBCFMXDSBHKYFA-QHCPKHFHSA-N -1 1 456.608 4.573 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nc4cc(C)ccc4s3)c2)cc1 ZINC001454386321 1066276817 /nfs/dbraw/zinc/27/68/17/1066276817.db2.gz GDZFHEWTWGDKCO-UHFFFAOYSA-N -1 1 451.573 4.644 20 0 JJADMM C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001454457626 1066284209 /nfs/dbraw/zinc/28/42/09/1066284209.db2.gz WLYKFFMEYZMFCH-NTCAYCPXSA-N -1 1 454.876 4.692 20 0 JJADMM O=C(c1cc(I)ccc1[O-])N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC001454627808 1066311918 /nfs/dbraw/zinc/31/19/18/1066311918.db2.gz WMFDMBLLOCISQO-SFHVURJKSA-N -1 1 455.295 4.811 20 0 JJADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1nc(-c2ccccc2)cs1 ZINC001443590417 1066334230 /nfs/dbraw/zinc/33/42/30/1066334230.db2.gz MPYKPYWYYNORKF-NSHDSACASA-N -1 1 450.301 4.611 20 0 JJADMM C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC001454930574 1066343388 /nfs/dbraw/zinc/34/33/88/1066343388.db2.gz JLXSQZPHYKXCJW-IBGZPJMESA-N -1 1 457.258 4.512 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)cc(OC(F)F)c3)c2)c1 ZINC001455005054 1066351907 /nfs/dbraw/zinc/35/19/07/1066351907.db2.gz DXAICTVIGUSALW-UHFFFAOYSA-N -1 1 450.438 4.789 20 0 JJADMM CC(C)(C)c1ccccc1OCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC001443724504 1066357331 /nfs/dbraw/zinc/35/73/31/1066357331.db2.gz BHOJWRGFDKVLGA-UHFFFAOYSA-N -1 1 454.445 4.609 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(O)c(C(C)C)c3)c2)cc1 ZINC001455169382 1066368097 /nfs/dbraw/zinc/36/80/97/1066368097.db2.gz VSWMLNNPVWYGNM-UHFFFAOYSA-N -1 1 454.548 4.967 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(C)CC(F)(F)C3)c2)cc1C ZINC001455266002 1066377405 /nfs/dbraw/zinc/37/74/05/1066377405.db2.gz AVTCJMPYHRZUAN-UHFFFAOYSA-N -1 1 456.942 4.923 20 0 JJADMM O=C(c1c([O-])cnc2c(Br)cccc21)N(Cc1ccccc1)CC1CCOCC1 ZINC001443897246 1066382450 /nfs/dbraw/zinc/38/24/50/1066382450.db2.gz LEVBKXQDDDBGST-UHFFFAOYSA-N -1 1 455.352 4.772 20 0 JJADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC001455439008 1066389729 /nfs/dbraw/zinc/38/97/29/1066389729.db2.gz FJKIUQMXBIMLTO-UHFFFAOYSA-N -1 1 459.727 4.990 20 0 JJADMM Cc1c2ccccc2oc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001444017785 1066394401 /nfs/dbraw/zinc/39/44/01/1066394401.db2.gz LQTRCXHVADXPHU-UHFFFAOYSA-N -1 1 456.470 4.750 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(C(C)C)ns3)c2)c1 ZINC001455478537 1066396597 /nfs/dbraw/zinc/39/65/97/1066396597.db2.gz AYNUXEUPENBDRB-UHFFFAOYSA-N -1 1 450.973 4.676 20 0 JJADMM C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC001444061455 1066398388 /nfs/dbraw/zinc/39/83/88/1066398388.db2.gz HIIHYLBHHYBWGB-MBSDFSHPSA-N -1 1 452.601 4.806 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3ccc(F)cc3)CC3CC3)c2)cc1 ZINC001444084739 1066402376 /nfs/dbraw/zinc/40/23/76/1066402376.db2.gz PZSRQUNKIXVONC-UHFFFAOYSA-N -1 1 452.551 4.987 20 0 JJADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001444318629 1066447949 /nfs/dbraw/zinc/44/79/49/1066447949.db2.gz IJTCOIXLDXMAGT-ZHRRBRCNSA-N -1 1 458.967 4.647 20 0 JJADMM CCCN(C(=O)c1ccc(I)cc1[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444322143 1066448848 /nfs/dbraw/zinc/44/88/48/1066448848.db2.gz HGHLOLGHXNBLAC-ROUUACIJSA-N -1 1 457.352 4.587 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC001444694658 1066493828 /nfs/dbraw/zinc/49/38/28/1066493828.db2.gz PGYKKSVYHKINAR-QGZVFWFLSA-N -1 1 458.967 4.647 20 0 JJADMM CC(C)(C)c1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)s1 ZINC001444865777 1066514547 /nfs/dbraw/zinc/51/45/47/1066514547.db2.gz CRRFIBNNOGIAEP-UHFFFAOYSA-N -1 1 451.520 4.772 20 0 JJADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000469 1066528989 /nfs/dbraw/zinc/52/89/89/1066528989.db2.gz MUSXTOBGCLRFIY-DHIUTWEWSA-N -1 1 456.608 4.687 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC001445025484 1066530550 /nfs/dbraw/zinc/53/05/50/1066530550.db2.gz HKRYMBGIALUMLG-IBGZPJMESA-N -1 1 452.601 4.742 20 0 JJADMM CCOc1ccc(Br)c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1F ZINC001456242698 1066543622 /nfs/dbraw/zinc/54/36/22/1066543622.db2.gz NZJHQTQEWTXZOR-UHFFFAOYSA-N -1 1 454.296 4.821 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001445331934 1066557833 /nfs/dbraw/zinc/55/78/33/1066557833.db2.gz NMCPDKBJISFVSF-UHFFFAOYSA-N -1 1 456.543 4.958 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCC4(CCOCC4)CC3)cc2)cc1C ZINC001445358360 1066561703 /nfs/dbraw/zinc/56/17/03/1066561703.db2.gz MFRYZHGLTDCCHT-UHFFFAOYSA-N -1 1 456.608 4.573 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC001445364509 1066562660 /nfs/dbraw/zinc/56/26/60/1066562660.db2.gz AMERUBFVFZJSJR-UHFFFAOYSA-N -1 1 452.507 4.706 20 0 JJADMM CC(C)(C)OC(=O)NCc1nc2cc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)ccc2[nH]1 ZINC001456368830 1066572564 /nfs/dbraw/zinc/57/25/64/1066572564.db2.gz BIVKATYVCCTBKV-UHFFFAOYSA-N -1 1 450.417 4.564 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCC2(OC(C)C)CCCCC2)c1 ZINC001445590233 1066592805 /nfs/dbraw/zinc/59/28/05/1066592805.db2.gz ITVYSPKIBGPBCA-UHFFFAOYSA-N -1 1 458.624 4.962 20 0 JJADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC001445644160 1066598020 /nfs/dbraw/zinc/59/80/20/1066598020.db2.gz FPTAKJPFHWIKQP-UHFFFAOYSA-N -1 1 455.308 4.545 20 0 JJADMM Cc1sc2ncnc(SCCC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)c2c1C ZINC001445644176 1066598059 /nfs/dbraw/zinc/59/80/59/1066598059.db2.gz FTNPKVXHMWLJIL-UHFFFAOYSA-N -1 1 455.605 4.617 20 0 JJADMM COc1cc(Br)c(Cl)cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001445655013 1066598887 /nfs/dbraw/zinc/59/88/87/1066598887.db2.gz ZWNQAARMWHIRQR-UHFFFAOYSA-N -1 1 452.732 4.552 20 0 JJADMM CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001446005888 1066645068 /nfs/dbraw/zinc/64/50/68/1066645068.db2.gz SETWGNNVPUIFJT-FQEVSTJZSA-N -1 1 454.567 4.820 20 0 JJADMM CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2)cc1 ZINC001446188571 1066671108 /nfs/dbraw/zinc/67/11/08/1066671108.db2.gz BANIOUUQRDCEKU-UHFFFAOYSA-N -1 1 454.548 4.927 20 0 JJADMM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001456804266 1066695261 /nfs/dbraw/zinc/69/52/61/1066695261.db2.gz YECDNNHPVOQONL-RTBURBONSA-N -1 1 470.541 4.764 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cc2)cc1 ZINC001456830060 1066702527 /nfs/dbraw/zinc/70/25/27/1066702527.db2.gz LNZZMNBDPGCDIE-UHFFFAOYSA-N -1 1 453.564 4.831 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC3(Cc4ccccc4)CC3)c2)cc1F ZINC001446417323 1066703103 /nfs/dbraw/zinc/70/31/03/1066703103.db2.gz ALBQFWVIIOERTF-UHFFFAOYSA-N -1 1 452.551 4.688 20 0 JJADMM Cc1nc2c(s1)[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc1)CCC2 ZINC001446640139 1066727813 /nfs/dbraw/zinc/72/78/13/1066727813.db2.gz FSJZXFXYDJWBOL-FQEVSTJZSA-N -1 1 459.568 4.507 20 0 JJADMM CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001446693732 1066731436 /nfs/dbraw/zinc/73/14/36/1066731436.db2.gz CHGMFHXCZSSPJG-UHFFFAOYSA-N -1 1 454.408 4.684 20 0 JJADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001446714102 1066733641 /nfs/dbraw/zinc/73/36/41/1066733641.db2.gz SLHSNDBXSNSNCT-RBUKOAKNSA-N -1 1 472.950 4.597 20 0 JJADMM CC(C)[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cccnc1 ZINC001446716637 1066734229 /nfs/dbraw/zinc/73/42/29/1066734229.db2.gz VOOILPYOHGUDAK-NRFANRHFSA-N -1 1 459.955 4.620 20 0 JJADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 ZINC001446838154 1066746701 /nfs/dbraw/zinc/74/67/01/1066746701.db2.gz BMSFIHZOJMWBIF-KRWDZBQOSA-N -1 1 453.764 4.900 20 0 JJADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 ZINC001446838158 1066746741 /nfs/dbraw/zinc/74/67/41/1066746741.db2.gz BMSFIHZOJMWBIF-QGZVFWFLSA-N -1 1 453.764 4.900 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001446906031 1066755378 /nfs/dbraw/zinc/75/53/78/1066755378.db2.gz DJLUZKNLZJFCHG-OALUTQOASA-N -1 1 458.624 4.638 20 0 JJADMM Cc1cc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)sc2cc1F ZINC001457077385 1066756123 /nfs/dbraw/zinc/75/61/23/1066756123.db2.gz AGJDURLMHNWEFW-UHFFFAOYSA-N -1 1 459.499 4.936 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3cccc(SC)c3C)c2)c1 ZINC001446964475 1066759187 /nfs/dbraw/zinc/75/91/87/1066759187.db2.gz UFOYTAVFNLHCFK-UHFFFAOYSA-N -1 1 452.532 4.944 20 0 JJADMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989575 1066762604 /nfs/dbraw/zinc/76/26/04/1066762604.db2.gz VDZIVBFJCBGINY-XUZZJYLKSA-N -1 1 458.624 4.818 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3C[C@H]3Cc3ccccc3)c2)cc1F ZINC001457197931 1066786091 /nfs/dbraw/zinc/78/60/91/1066786091.db2.gz HVUDYTBORHSXOE-RTWAWAEBSA-N -1 1 452.551 4.544 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3C[C@@H]3Cc3ccccc3)c2)cc1F ZINC001457197936 1066786199 /nfs/dbraw/zinc/78/61/99/1066786199.db2.gz HVUDYTBORHSXOE-SFTDATJTSA-N -1 1 452.551 4.544 20 0 JJADMM CCc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cnn1CC(C)C ZINC001447277826 1066787548 /nfs/dbraw/zinc/78/75/48/1066787548.db2.gz WWXTVDGLHBCZPN-UHFFFAOYSA-N -1 1 458.559 4.602 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3c3ccccc3)cc2)cc1 ZINC001447349421 1066796924 /nfs/dbraw/zinc/79/69/24/1066796924.db2.gz XEZFNVNZXXUIGK-XMMPIXPASA-N -1 1 450.560 4.863 20 0 JJADMM COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)o1 ZINC001447361050 1066798639 /nfs/dbraw/zinc/79/86/39/1066798639.db2.gz JEKRORAVFCXBCV-QFIPXVFZSA-N -1 1 454.548 4.513 20 0 JJADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)ccc1OC(C)C ZINC001447399313 1066804132 /nfs/dbraw/zinc/80/41/32/1066804132.db2.gz HXVFILPGBRFOOT-UHFFFAOYSA-N -1 1 454.548 4.844 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC001447455087 1066811654 /nfs/dbraw/zinc/81/16/54/1066811654.db2.gz QOYYFBUPPOSACP-WAIKUNEKSA-N -1 1 453.539 4.553 20 0 JJADMM Cc1ccccc1Sc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1 ZINC001447460333 1066812170 /nfs/dbraw/zinc/81/21/70/1066812170.db2.gz YZSNZYQISMQDME-HXUWFJFHSA-N -1 1 453.930 4.971 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@]3(C)CCO[C@H]3C)cc2)c1C ZINC001447597488 1066827465 /nfs/dbraw/zinc/82/74/65/1066827465.db2.gz VYPKGTWHUARSNW-BVZFJXPGSA-N -1 1 458.624 4.699 20 0 JJADMM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cn[nH]c1C1CC1 ZINC001457505928 1066845479 /nfs/dbraw/zinc/84/54/79/1066845479.db2.gz ZUYIXTQIEVSTSR-UHFFFAOYSA-N -1 1 451.335 4.647 20 0 JJADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001457516866 1066848859 /nfs/dbraw/zinc/84/88/59/1066848859.db2.gz GKXSZCGHZXSWQJ-UGSOOPFHSA-N -1 1 458.552 4.802 20 0 JJADMM COC1(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)CCC1 ZINC001457518433 1066849680 /nfs/dbraw/zinc/84/96/80/1066849680.db2.gz JQUIAQYZEGOEIS-UHFFFAOYSA-N -1 1 456.536 4.700 20 0 JJADMM Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cnn1-c1cccc(Cl)c1 ZINC001447787650 1066856905 /nfs/dbraw/zinc/85/69/05/1066856905.db2.gz UZZFETKCXFKCMJ-UHFFFAOYSA-N -1 1 452.942 4.855 20 0 JJADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001457545828 1066857875 /nfs/dbraw/zinc/85/78/75/1066857875.db2.gz CPEOEUGVGUOWCI-UHFFFAOYSA-N -1 1 450.926 4.855 20 0 JJADMM CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC001447791172 1066858414 /nfs/dbraw/zinc/85/84/14/1066858414.db2.gz GSLVDMBTAIDVLH-UHFFFAOYSA-N -1 1 459.930 4.929 20 0 JJADMM CN(C(=O)c1ccc(I)c([O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC001447793026 1066859111 /nfs/dbraw/zinc/85/91/11/1066859111.db2.gz VPOQJMYXOSDFNZ-UHFFFAOYSA-N -1 1 459.283 4.852 20 0 JJADMM CCN(C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC001447832372 1066867102 /nfs/dbraw/zinc/86/71/02/1066867102.db2.gz VOMYNQOPXYJVAI-UHFFFAOYSA-N -1 1 459.502 4.810 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)Nc2cc(CCc3ccccc3)ccn2)c1)OCC(F)(F)F ZINC001457683051 1066896399 /nfs/dbraw/zinc/89/63/99/1066896399.db2.gz SMSWALTYLZAJGA-UHFFFAOYSA-N -1 1 459.424 4.936 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c([O-])c1 ZINC001448097935 1066899492 /nfs/dbraw/zinc/89/94/92/1066899492.db2.gz QOGGZOQTXDSHJB-UHFFFAOYSA-N -1 1 451.523 4.681 20 0 JJADMM Cc1c2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)sc2ccc1F ZINC001457708490 1066901330 /nfs/dbraw/zinc/90/13/30/1066901330.db2.gz YVZHFHMKTYVZMU-UHFFFAOYSA-N -1 1 459.499 4.936 20 0 JJADMM C[C@@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001448167711 1066906314 /nfs/dbraw/zinc/90/63/14/1066906314.db2.gz ZQELSFUISPWSFH-AWEZNQCLSA-N -1 1 451.386 4.558 20 0 JJADMM CC(C)(C)OC(=O)CCCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC001457783460 1066918923 /nfs/dbraw/zinc/91/89/23/1066918923.db2.gz DBHNRPDCTUTLIC-UHFFFAOYSA-N -1 1 451.155 4.758 20 0 JJADMM Cc1onc(-c2ccncc2)c1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC001457786722 1066919900 /nfs/dbraw/zinc/91/99/00/1066919900.db2.gz LREYGJUNSTYVKW-UHFFFAOYSA-N -1 1 453.090 4.528 20 0 JJADMM CC[C@@H](CNc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001457825903 1066928809 /nfs/dbraw/zinc/92/88/09/1066928809.db2.gz QRERXBPJRYEVSE-NRFANRHFSA-N -1 1 451.592 4.725 20 0 JJADMM CC1=CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)C1 ZINC001448491690 1066932684 /nfs/dbraw/zinc/93/26/84/1066932684.db2.gz AHVFVJLSXBPFTN-UHFFFAOYSA-N -1 1 458.889 4.952 20 0 JJADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC001457891513 1066937200 /nfs/dbraw/zinc/93/72/00/1066937200.db2.gz YTPNRTFFALOTKA-UHFFFAOYSA-N -1 1 453.219 4.961 20 0 JJADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC001457933750 1066943193 /nfs/dbraw/zinc/94/31/93/1066943193.db2.gz NQUCSRCSRUCADB-PQNGQFLHSA-N -1 1 452.595 4.640 20 0 JJADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)cc1 ZINC001448673667 1066948674 /nfs/dbraw/zinc/94/86/74/1066948674.db2.gz HDDARNJAQPCEBK-WIYYLYMNSA-N -1 1 452.551 4.953 20 0 JJADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)C2)cc1 ZINC001448673630 1066948761 /nfs/dbraw/zinc/94/87/61/1066948761.db2.gz HDDARNJAQPCEBK-NQIIRXRSSA-N -1 1 452.551 4.953 20 0 JJADMM CSc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC001448688359 1066951884 /nfs/dbraw/zinc/95/18/84/1066951884.db2.gz QGORGBAAVQONSM-UHFFFAOYSA-N -1 1 454.617 4.799 20 0 JJADMM Cc1ccc(F)cc1-c1nnc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)s1 ZINC001448802792 1066958607 /nfs/dbraw/zinc/95/86/07/1066958607.db2.gz WEIBRUQKZPLTEI-UHFFFAOYSA-N -1 1 459.300 4.509 20 0 JJADMM Cc1ccccc1C1(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCC1 ZINC001545695094 1066962671 /nfs/dbraw/zinc/96/26/71/1066962671.db2.gz FLVXDZONSJDABJ-UHFFFAOYSA-N -1 1 452.551 4.673 20 0 JJADMM CCCC[C@@](C)(NC(=O)c1nc[n-]c(=O)c1Br)c1cccc(Br)c1 ZINC001448907333 1066968911 /nfs/dbraw/zinc/96/89/11/1066968911.db2.gz SCRCLDBLQRMJIV-QGZVFWFLSA-N -1 1 457.166 4.543 20 0 JJADMM CC(C)(CC(=O)Nc1c([O-])cc(Br)cc1Cl)NC(=O)OCc1ccccc1 ZINC001449160968 1066986145 /nfs/dbraw/zinc/98/61/45/1066986145.db2.gz LSKCAMFVKSAIGK-UHFFFAOYSA-N -1 1 455.736 4.842 20 0 JJADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001449491751 1067012011 /nfs/dbraw/zinc/01/20/11/1067012011.db2.gz BZKGPRFRIYCVAU-UHFFFAOYSA-N -1 1 453.907 4.647 20 0 JJADMM CCC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)COC1 ZINC001449738381 1067024313 /nfs/dbraw/zinc/02/43/13/1067024313.db2.gz JGVYBXZBYVFPRF-UHFFFAOYSA-N -1 1 458.624 4.558 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)cc2)c1C ZINC001449913919 1067037362 /nfs/dbraw/zinc/03/73/62/1067037362.db2.gz USMHIYVMEMSZKO-UZUQRXQVSA-N -1 1 450.560 4.746 20 0 JJADMM Cc1cnc(OC(C)C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC001450110557 1067049902 /nfs/dbraw/zinc/04/99/02/1067049902.db2.gz LEIBBQUXPYGCAB-UHFFFAOYSA-N -1 1 453.564 4.847 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOC4(CCCCC4)C3)cc2)cc1C ZINC001545780105 1067075440 /nfs/dbraw/zinc/07/54/40/1067075440.db2.gz LWOMLCHQLBAMFH-QFIPXVFZSA-N -1 1 456.608 4.716 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc4sccc4c3)cc2)cc1 ZINC001450748153 1067115739 /nfs/dbraw/zinc/11/57/39/1067115739.db2.gz FMWWUIFTFLALOH-UHFFFAOYSA-N -1 1 452.557 4.641 20 0 JJADMM COC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1cccc(Cl)c1 ZINC001450824736 1067126296 /nfs/dbraw/zinc/12/62/96/1067126296.db2.gz INGBULBXDPHXEL-QFIPXVFZSA-N -1 1 458.967 4.567 20 0 JJADMM CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Nc3cc([O-])c(F)cc3F)s2)CC1 ZINC001450894575 1067133949 /nfs/dbraw/zinc/13/39/49/1067133949.db2.gz HXWKKTFDPXKONX-UHFFFAOYSA-N -1 1 453.511 4.569 20 0 JJADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC001451043064 1067142726 /nfs/dbraw/zinc/14/27/26/1067142726.db2.gz XECNNXULPIRVLF-QGZVFWFLSA-N -1 1 456.539 4.743 20 0 JJADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001451070718 1067144817 /nfs/dbraw/zinc/14/48/17/1067144817.db2.gz XKFHAWWMZDRDCA-CQSZACIVSA-N -1 1 451.386 4.653 20 0 JJADMM CCC1(c2ccccc2)CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001451138581 1067149104 /nfs/dbraw/zinc/14/91/04/1067149104.db2.gz DSBCGAAECXVGAP-UHFFFAOYSA-N -1 1 456.514 4.569 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CCCc3cccnc3)cc2)cc1C ZINC001451142090 1067149297 /nfs/dbraw/zinc/14/92/97/1067149297.db2.gz AQEJFLFWVYFRAU-FQEVSTJZSA-N -1 1 451.592 4.640 20 0 JJADMM CCC1(c2ccccc2)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)C1 ZINC001451143441 1067149947 /nfs/dbraw/zinc/14/99/47/1067149947.db2.gz NQHXSELIKQICEF-UHFFFAOYSA-N -1 1 452.551 4.739 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCc2cnccc2C(C)(C)C)cc1 ZINC001451412249 1067168491 /nfs/dbraw/zinc/16/84/91/1067168491.db2.gz REIAEBNRKPBTGP-UHFFFAOYSA-N -1 1 455.555 4.557 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cnccc3C(C)(C)C)cc2)cc1C ZINC001451414580 1067169971 /nfs/dbraw/zinc/16/99/71/1067169971.db2.gz PYAGQCKRGZDXFH-UHFFFAOYSA-N -1 1 451.592 4.727 20 0 JJADMM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001546104210 1067170520 /nfs/dbraw/zinc/17/05/20/1067170520.db2.gz NJKXRFUOWZBPPQ-UHFFFAOYSA-N -1 1 452.511 4.557 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCSC2(CCC2)CC1 ZINC001451430930 1067171277 /nfs/dbraw/zinc/17/12/77/1067171277.db2.gz KSSUWGQREAQVMR-UHFFFAOYSA-N -1 1 451.013 4.643 20 0 JJADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001451555221 1067177949 /nfs/dbraw/zinc/17/79/49/1067177949.db2.gz KJSMNBWFRWNTJF-AWEZNQCLSA-N -1 1 451.386 4.511 20 0 JJADMM Cc1nc([C@H](C)Sc2nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3o2)no1 ZINC001458865708 1067178302 /nfs/dbraw/zinc/17/83/02/1067178302.db2.gz GDUIWHYVPWFOFP-JTQLQIEISA-N -1 1 450.929 4.827 20 0 JJADMM Cc1cc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc2Cl)cc(C)n1 ZINC001451727245 1067188512 /nfs/dbraw/zinc/18/85/12/1067188512.db2.gz OCJCBMLHZHFYFL-UHFFFAOYSA-N -1 1 457.983 4.699 20 0 JJADMM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001452089482 1067206526 /nfs/dbraw/zinc/20/65/26/1067206526.db2.gz ZPDSAGZPPDXEFZ-RUZDIDTESA-N -1 1 452.551 4.864 20 0 JJADMM CCC[C@H](C)c1cc(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])n[nH]1 ZINC001452320676 1067219843 /nfs/dbraw/zinc/21/98/43/1067219843.db2.gz ALUUTONGDGUVBK-AWEZNQCLSA-N -1 1 452.511 4.541 20 0 JJADMM CC1(C)C(c2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)n[nH]2)C1(C)C ZINC001452431066 1067223792 /nfs/dbraw/zinc/22/37/92/1067223792.db2.gz NVECHXUYVLQQHT-UHFFFAOYSA-N -1 1 456.543 4.752 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CO)cc3)cc2)c(C)c1C ZINC001452445185 1067224432 /nfs/dbraw/zinc/22/44/32/1067224432.db2.gz WPKJKFHOAGUNRN-UHFFFAOYSA-N -1 1 452.576 4.774 20 0 JJADMM Cc1cccc(C2(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[O-])CC2)c1 ZINC001546105659 1067231833 /nfs/dbraw/zinc/23/18/33/1067231833.db2.gz RFCUOGNNGKLKFP-UHFFFAOYSA-N -1 1 456.951 4.825 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])[C@H]1CCCc2ccccc21 ZINC001546105763 1067235390 /nfs/dbraw/zinc/23/53/90/1067235390.db2.gz VILYCUZTTAIUAM-FQEVSTJZSA-N -1 1 456.951 4.905 20 0 JJADMM Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[n-]c1=O ZINC001459089455 1067248844 /nfs/dbraw/zinc/24/88/44/1067248844.db2.gz CZOFDTFBXKBTRB-OXFYSEKESA-N -1 1 457.596 4.839 20 0 JJADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Sc2cccc(OC)c2)cn1 ZINC001452769183 1067250810 /nfs/dbraw/zinc/25/08/10/1067250810.db2.gz QDAFYCBSQCWGAC-UHFFFAOYSA-N -1 1 457.577 4.645 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@](C)(c4cccc(F)c4)C3)c2)c1 ZINC001452913445 1067263969 /nfs/dbraw/zinc/26/39/69/1067263969.db2.gz LROWRTJQSXCDBG-VWLOTQADSA-N -1 1 452.551 4.739 20 0 JJADMM CSc1cccc(Nc2ccc(NC(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)nc2)c1 ZINC001452987814 1067270956 /nfs/dbraw/zinc/27/09/56/1067270956.db2.gz RPANYKQDNVNLHP-UHFFFAOYSA-N -1 1 458.547 4.594 20 0 JJADMM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c2ccccc12 ZINC001453128661 1067282152 /nfs/dbraw/zinc/28/21/52/1067282152.db2.gz MEPLDXZQIFBKKB-UGKGYDQZSA-N -1 1 458.455 4.964 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532490 1067311352 /nfs/dbraw/zinc/31/13/52/1067311352.db2.gz BWLATMSYBSGHPQ-FYYLOGMGSA-N -1 1 456.608 4.526 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532286 1067311378 /nfs/dbraw/zinc/31/13/78/1067311378.db2.gz AUEFDPMJQMIDRI-GMAHTHKFSA-N -1 1 456.608 4.526 20 0 JJADMM O=C([N-][C@@H]1CN(C(=O)c2ccc(SC(F)F)cc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453672121 1067321144 /nfs/dbraw/zinc/32/11/44/1067321144.db2.gz QKMPCZGGLLJRKG-IAGOWNOFSA-N -1 1 458.452 4.678 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 ZINC001453831325 1067331533 /nfs/dbraw/zinc/33/15/33/1067331533.db2.gz YZWMABXOUDTDLJ-FQEVSTJZSA-N -1 1 452.558 4.755 20 0 JJADMM O=C([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)(F)c1ncccc1Br ZINC001459830525 1067443753 /nfs/dbraw/zinc/44/37/53/1067443753.db2.gz BMJRGQGZUHPAPB-NSHDSACASA-N -1 1 452.082 4.883 20 0 JJADMM COC[C@H](NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1ccc(Cl)cc1 ZINC001460022821 1067531996 /nfs/dbraw/zinc/53/19/96/1067531996.db2.gz BBCIYTSDIGUKNX-IBGZPJMESA-N -1 1 455.967 4.791 20 0 JJADMM COc1ccc([C@@H]2CCN(Cc3cc4ccccc4o3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460361933 1067618529 /nfs/dbraw/zinc/61/85/29/1067618529.db2.gz LVHOTKGIMZHWAW-HKUYNNGSSA-N -1 1 450.432 4.617 20 0 JJADMM Cc1ccccc1-c1noc([C@@H](C)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC001460466293 1067639038 /nfs/dbraw/zinc/63/90/38/1067639038.db2.gz ZFVKQZWIOUWQRQ-NSISKUIASA-N -1 1 458.484 4.643 20 0 JJADMM Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1Br ZINC001460473620 1067640439 /nfs/dbraw/zinc/64/04/39/1067640439.db2.gz SCPBZJCJJXZDEM-IEBWSBKVSA-N -1 1 455.318 4.794 20 0 JJADMM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001461024158 1067763939 /nfs/dbraw/zinc/76/39/39/1067763939.db2.gz CQDQACZFPPJPPT-SUMWQHHRSA-N -1 1 458.402 4.520 20 0 JJADMM CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001546134656 1068194336 /nfs/dbraw/zinc/19/43/36/1068194336.db2.gz DJTYLYIILWCYNY-QFBILLFUSA-N -1 1 458.839 4.684 20 0 JJADMM O=S(=O)([N-]CC1(c2cccc(Br)c2)CCC1)c1c(Cl)ccnc1Cl ZINC001462885230 1068202760 /nfs/dbraw/zinc/20/27/60/1068202760.db2.gz GFPVNZRLIPHMCJ-UHFFFAOYSA-N -1 1 450.185 4.551 20 0 JJADMM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462901645 1068209291 /nfs/dbraw/zinc/20/92/91/1068209291.db2.gz NTPJLPWKXYPHNY-SECBINFHSA-N -1 1 457.148 4.641 20 0 JJADMM CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001546135087 1068211126 /nfs/dbraw/zinc/21/11/26/1068211126.db2.gz NCZUHLKOZZTLEG-VQIMIIECSA-N -1 1 458.839 4.684 20 0 JJADMM CCC(C)(C)c1ccc(S(=O)(=O)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC001462938062 1068221957 /nfs/dbraw/zinc/22/19/57/1068221957.db2.gz QQVJCRWABIVSSC-UHFFFAOYSA-N -1 1 459.589 4.943 20 0 JJADMM O=S(=O)([N-][C@@H](COc1ccccc1)c1ccccc1)c1c(F)cccc1Br ZINC001463056265 1068268705 /nfs/dbraw/zinc/26/87/05/1068268705.db2.gz URZVPKPUQZPIRO-IBGZPJMESA-N -1 1 450.329 4.687 20 0 JJADMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)cc1 ZINC001463058897 1068269970 /nfs/dbraw/zinc/26/99/70/1068269970.db2.gz JCZQOBWZKTYIFX-CEXHIMGSSA-N -1 1 452.545 4.741 20 0 JJADMM O=C([N-]c1c(F)ccc(Br)c1F)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC001463154306 1068305902 /nfs/dbraw/zinc/30/59/02/1068305902.db2.gz AAYSVMAUCDYMLB-UHFFFAOYSA-N -1 1 453.264 4.874 20 0 JJADMM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)Oc1ccc(F)cc1 ZINC001463183005 1068312532 /nfs/dbraw/zinc/31/25/32/1068312532.db2.gz LGUQJJJJDGDGHQ-SECBINFHSA-N -1 1 457.148 4.641 20 0 JJADMM COc1cccc(C([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c2cccc(OC)c2)c1 ZINC001463232270 1068329581 /nfs/dbraw/zinc/32/95/81/1068329581.db2.gz RHPOMSIQQCFOAJ-UHFFFAOYSA-N -1 1 453.894 4.703 20 0 JJADMM CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)Oc1cccc(F)c1 ZINC001463247596 1068333670 /nfs/dbraw/zinc/33/36/70/1068333670.db2.gz BCLIEQHUFBUHEN-LBPRGKRZSA-N -1 1 454.720 4.517 20 0 JJADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252669 1068335633 /nfs/dbraw/zinc/33/56/33/1068335633.db2.gz PMCIOHKQRZKHSA-BDAKNGLRSA-N -1 1 452.695 4.889 20 0 JJADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001463491307 1068417775 /nfs/dbraw/zinc/41/77/75/1068417775.db2.gz DYQCSEXJXUPUHM-HNNXBMFYSA-N -1 1 454.495 4.592 20 0 JJADMM CCn1nc(C2CC2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001463564553 1068446019 /nfs/dbraw/zinc/44/60/19/1068446019.db2.gz NQAYGMJGHKWIHW-UHFFFAOYSA-N -1 1 458.971 4.795 20 0 JJADMM CC(F)(F)C1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CC1 ZINC001463581120 1068454461 /nfs/dbraw/zinc/45/44/61/1068454461.db2.gz IYNDNLBIXDBWDG-UHFFFAOYSA-N -1 1 459.312 4.624 20 0 JJADMM COc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)CC2)c1 ZINC001463653063 1068482512 /nfs/dbraw/zinc/48/25/12/1068482512.db2.gz JYPGZCYXDRFINM-UHFFFAOYSA-N -1 1 456.951 4.820 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1(c2cccnc2)CCCC1 ZINC001463655181 1068483259 /nfs/dbraw/zinc/48/32/59/1068483259.db2.gz UGIMVYPDBXHGMU-UHFFFAOYSA-N -1 1 455.967 4.986 20 0 JJADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001463683010 1068492363 /nfs/dbraw/zinc/49/23/63/1068492363.db2.gz FYXHQIZHTJGELO-OAHLLOKOSA-N -1 1 453.178 4.915 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC001463743934 1068510221 /nfs/dbraw/zinc/51/02/21/1068510221.db2.gz JBXMTSNUEQCMJQ-UHFFFAOYSA-N -1 1 456.514 4.879 20 0 JJADMM Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)c(C)c1 ZINC001463748148 1068511328 /nfs/dbraw/zinc/51/13/28/1068511328.db2.gz QYOVAFBNNJFKIN-UHFFFAOYSA-N -1 1 458.530 4.745 20 0 JJADMM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC001463796885 1068527468 /nfs/dbraw/zinc/52/74/68/1068527468.db2.gz SPSCPMPUGTWLMY-UHFFFAOYSA-N -1 1 452.986 4.749 20 0 JJADMM COc1ccccc1Oc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1 ZINC001463801620 1068530135 /nfs/dbraw/zinc/53/01/35/1068530135.db2.gz XZNWZSZXYGVGEZ-UHFFFAOYSA-N -1 1 459.458 4.994 20 0 JJADMM CC1(C)C[C@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)c2cc(F)ccc2O1 ZINC001464013535 1068588744 /nfs/dbraw/zinc/58/87/44/1068588744.db2.gz HHWMOEPPYOEPJD-AWEZNQCLSA-N -1 1 454.317 4.915 20 0 JJADMM CCc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)s1 ZINC001464141630 1068632368 /nfs/dbraw/zinc/63/23/68/1068632368.db2.gz MFQRYKCREWUYHE-UHFFFAOYSA-N -1 1 452.960 4.834 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1NS(=O)(=O)c1ccccc1 ZINC001464157618 1068636898 /nfs/dbraw/zinc/63/68/98/1068636898.db2.gz GLNPEYAKSBWJCY-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM Cc1cc(C(F)(F)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cnc1Cl ZINC001464157595 1068637091 /nfs/dbraw/zinc/63/70/91/1068637091.db2.gz GHDQJLIOBAYWGV-UHFFFAOYSA-N -1 1 451.882 4.575 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(OC2CCC2)cc1 ZINC001464160521 1068638246 /nfs/dbraw/zinc/63/82/46/1068638246.db2.gz AZYJJMGXYMGEJS-UHFFFAOYSA-N -1 1 458.486 4.949 20 0 JJADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 ZINC001546145211 1068662448 /nfs/dbraw/zinc/66/24/48/1068662448.db2.gz DZVQUHXRZIPIGH-CYBMUJFWSA-N -1 1 454.552 4.801 20 0 JJADMM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC001464242245 1068672766 /nfs/dbraw/zinc/67/27/66/1068672766.db2.gz ZCEHOLRCWAAQLY-KRWDZBQOSA-N -1 1 456.539 4.905 20 0 JJADMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC001464242246 1068672840 /nfs/dbraw/zinc/67/28/40/1068672840.db2.gz ZCEHOLRCWAAQLY-QGZVFWFLSA-N -1 1 456.539 4.905 20 0 JJADMM CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001464293370 1068694876 /nfs/dbraw/zinc/69/48/76/1068694876.db2.gz LMKZANUWEARYHI-DOTOQJQBSA-N -1 1 454.514 4.561 20 0 JJADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c(F)cc1Cl ZINC001464344321 1068714156 /nfs/dbraw/zinc/71/41/56/1068714156.db2.gz IHSPWYPNKNIUQC-VQIMIIECSA-N -1 1 453.963 4.907 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)c3cccc(C)c3)cc2)cc1OC ZINC001464363856 1068720106 /nfs/dbraw/zinc/72/01/06/1068720106.db2.gz XGNQOTGGELUWMJ-KRWDZBQOSA-N -1 1 454.548 4.555 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccncc3)ccc2C)cc1 ZINC001464368586 1068720561 /nfs/dbraw/zinc/72/05/61/1068720561.db2.gz HUEWFLHIIOZUAO-UHFFFAOYSA-N -1 1 451.592 4.506 20 0 JJADMM Cc1cccc(OC[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC001464373939 1068722552 /nfs/dbraw/zinc/72/25/52/1068722552.db2.gz OZNKCFFBFMPMDQ-FQEVSTJZSA-N -1 1 452.576 4.610 20 0 JJADMM O=S(=O)([N-]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21)c1cc(Cl)ccc1F ZINC001464619291 1068801564 /nfs/dbraw/zinc/80/15/64/1068801564.db2.gz HLMBRYQCLBDULP-UHFFFAOYSA-N -1 1 451.857 4.551 20 0 JJADMM O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001464655336 1068813441 /nfs/dbraw/zinc/81/34/41/1068813441.db2.gz GUAPWCQQVLUPNJ-UHFFFAOYSA-N -1 1 458.274 4.652 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ncccc1Oc1ccccc1 ZINC001464719630 1068837968 /nfs/dbraw/zinc/83/79/68/1068837968.db2.gz HRYYAPABIFOBLX-UHFFFAOYSA-N -1 1 459.527 4.605 20 0 JJADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1occc1CS(=O)(=O)c1ccccc1 ZINC001435637582 1064898803 /nfs/dbraw/zinc/89/88/03/1064898803.db2.gz YAATXLDRNGPTBS-UHFFFAOYSA-N -1 1 459.936 4.678 20 0 JJADMM CCCc1nc(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)nn1-c1ccccc1Cl ZINC001435735447 1064964473 /nfs/dbraw/zinc/96/44/73/1064964473.db2.gz CKDQZSAZMAIKNN-UHFFFAOYSA-N -1 1 454.943 4.653 20 0 JJADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(Cl)ccc(Cl)c3Cl)c2)n1 ZINC001436100690 1065179892 /nfs/dbraw/zinc/17/98/92/1065179892.db2.gz RVONLNYNGWAQRJ-UHFFFAOYSA-N -1 1 453.713 4.539 20 0 JJADMM CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001360355996 1065205898 /nfs/dbraw/zinc/20/58/98/1065205898.db2.gz LNUUYTWBPLJZKX-UHFFFAOYSA-N -1 1 493.574 4.666 20 0 JJADMM CC(C)Oc1ccc(Cn2c(N3CCC(C(=O)c4ccc([O-])cc4)CC3)nnc2C(C)(C)C)cn1 ZINC001360357718 1065209463 /nfs/dbraw/zinc/20/94/63/1065209463.db2.gz OGPPKJZLTGIVDG-UHFFFAOYSA-N -1 1 477.609 4.611 20 0 JJADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)o1 ZINC001360556719 1065546253 /nfs/dbraw/zinc/54/62/53/1065546253.db2.gz AQAANFWJXYLLAH-UHFFFAOYSA-N -1 1 457.483 4.556 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(SC2CCCC2)cc1 ZINC001545906679 1065548097 /nfs/dbraw/zinc/54/80/97/1065548097.db2.gz ISXGBOVXWLHSNM-UHFFFAOYSA-N -1 1 459.420 4.945 20 0 JJADMM C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360579211 1065575783 /nfs/dbraw/zinc/57/57/83/1065575783.db2.gz QRFHOBLGMHOGNZ-QGZVFWFLSA-N -1 1 495.565 4.849 20 0 JJADMM C[C@@H]1CCN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001440216373 1065924728 /nfs/dbraw/zinc/92/47/28/1065924728.db2.gz TYPDOLARBWGIJO-CEIRLDKZSA-N -1 1 456.917 4.997 20 0 JJADMM CCOc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC001440329543 1065930856 /nfs/dbraw/zinc/93/08/56/1065930856.db2.gz GLLQABCFXIQWQA-UHFFFAOYSA-N -1 1 452.576 4.775 20 0 JJADMM Cc1ccc(C(=O)N(C)CCOc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440343217 1065931672 /nfs/dbraw/zinc/93/16/72/1065931672.db2.gz LGQIQGNJCKPSOK-UHFFFAOYSA-N -1 1 458.967 4.600 20 0 JJADMM Cc1ccn2cnc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)c2c1 ZINC001440392291 1065937382 /nfs/dbraw/zinc/93/73/82/1065937382.db2.gz YHCBDAVZXHSYMH-UHFFFAOYSA-N -1 1 454.939 4.658 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)/C(C)=C/c1cccnc1 ZINC001440414161 1065939635 /nfs/dbraw/zinc/93/96/35/1065939635.db2.gz RVDUGTUOJOABMW-NTCAYCPXSA-N -1 1 457.939 4.586 20 0 JJADMM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001440423906 1065940035 /nfs/dbraw/zinc/94/00/35/1065940035.db2.gz SWGRGWPTIQFSAU-OSPHWJPCSA-N -1 1 458.580 4.804 20 0 JJADMM CC(C)(C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CCCC1 ZINC001440423351 1065940370 /nfs/dbraw/zinc/94/03/70/1065940370.db2.gz OKISKZAOGKJTOX-UHFFFAOYSA-N -1 1 458.580 4.804 20 0 JJADMM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440498530 1065944439 /nfs/dbraw/zinc/94/44/39/1065944439.db2.gz KOAZSGROSXKDOJ-WAIKUNEKSA-N -1 1 458.967 4.634 20 0 JJADMM O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc([O-])c1F ZINC001440563705 1065950094 /nfs/dbraw/zinc/95/00/94/1065950094.db2.gz HJRILRYCHVUMRU-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC001440576135 1065951216 /nfs/dbraw/zinc/95/12/16/1065951216.db2.gz GLFWDBYNHOCCHI-LJQANCHMSA-N -1 1 452.576 4.930 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2)cc1 ZINC001440702372 1065967744 /nfs/dbraw/zinc/96/77/44/1065967744.db2.gz CPWKGZZCVACVAW-KAGYGMCKSA-N -1 1 456.608 4.975 20 0 JJADMM Cc1ccc(NC(=O)C2=CCCCO2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC001440753353 1065976679 /nfs/dbraw/zinc/97/66/79/1065976679.db2.gz GLWRQYPBYQSLGV-UHFFFAOYSA-N -1 1 454.520 4.743 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC001440838274 1065983673 /nfs/dbraw/zinc/98/36/73/1065983673.db2.gz WTNZHYFEBCWCEF-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM COc1cccc([C@@H](CNC(=O)c2cc(C)cc(C=O)c2[O-])c2c[nH]c3ccccc32)c1OC ZINC001440893827 1065991082 /nfs/dbraw/zinc/99/10/82/1065991082.db2.gz LOSYHEHLKQIGOV-JOCHJYFZSA-N -1 1 458.514 4.574 20 0 JJADMM Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001441075716 1066006210 /nfs/dbraw/zinc/00/62/10/1066006210.db2.gz HGSPLTDTQDFECU-HXUWFJFHSA-N -1 1 452.551 4.785 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)cc2)cc1 ZINC001441247080 1066020406 /nfs/dbraw/zinc/02/04/06/1066020406.db2.gz UDBMKZXODDWTTF-NWVWQQAFSA-N -1 1 456.608 4.927 20 0 JJADMM Cc1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441345846 1066031584 /nfs/dbraw/zinc/03/15/84/1066031584.db2.gz FNDDYIZTGDDMNA-UHFFFAOYSA-N -1 1 450.495 4.577 20 0 JJADMM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC001441349417 1066031624 /nfs/dbraw/zinc/03/16/24/1066031624.db2.gz QXKWONOZEOFPTF-VLGSPTGOSA-N -1 1 450.560 4.932 20 0 JJADMM Cc1ccc(NC(=O)Cc2c(C)cc(N(C)C)cc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441351458 1066031984 /nfs/dbraw/zinc/03/19/84/1066031984.db2.gz JUBDJENOLSDSAX-UHFFFAOYSA-N -1 1 451.592 4.660 20 0 JJADMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC001441490934 1066046171 /nfs/dbraw/zinc/04/61/71/1066046171.db2.gz HALTXDVAEFXXME-UHFFFAOYSA-N -1 1 458.967 4.778 20 0 JJADMM CCCCOc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC001441616737 1066054575 /nfs/dbraw/zinc/05/45/75/1066054575.db2.gz NNEQWMGSEMQNML-UHFFFAOYSA-N -1 1 452.576 4.905 20 0 JJADMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1Cl ZINC001441819570 1066073579 /nfs/dbraw/zinc/07/35/79/1066073579.db2.gz IAHFCSMGLDKEJC-HNNXBMFYSA-N -1 1 450.926 4.561 20 0 JJADMM Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454015547 1066235229 /nfs/dbraw/zinc/23/52/29/1066235229.db2.gz JLGXTCPZFNNCTE-DEOSSOPVSA-N -1 1 452.551 4.671 20 0 JJADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC(C)(C)N(Cc4ccccc4)CC3(C)C)n2)c1 ZINC001454120737 1066247695 /nfs/dbraw/zinc/24/76/95/1066247695.db2.gz QMBAOUMUOPDFLS-UHFFFAOYSA-N -1 1 450.558 4.541 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001443025146 1066255393 /nfs/dbraw/zinc/25/53/93/1066255393.db2.gz YUGNHNXXDHLWRY-IFMALSPDSA-N -1 1 456.514 4.528 20 0 JJADMM O=C(NCC1(c2c(F)cccc2F)CCCC1)c1ccc(I)c([O-])c1 ZINC001443039348 1066257521 /nfs/dbraw/zinc/25/75/21/1066257521.db2.gz CNAJKAKKYWPCGC-UHFFFAOYSA-N -1 1 457.258 4.517 20 0 JJADMM COc1ccccc1-c1ccnc(C2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)CC2)n1 ZINC001454254498 1066258591 /nfs/dbraw/zinc/25/85/91/1066258591.db2.gz ZSUWJFQRCLDTCW-UHFFFAOYSA-N -1 1 457.452 4.896 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(C(C)C)c(O)cc3C)c2)cc1 ZINC001545953928 1066262610 /nfs/dbraw/zinc/26/26/10/1066262610.db2.gz PQMOTTPJUQZLRD-UHFFFAOYSA-N -1 1 454.548 4.886 20 0 JJADMM COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc([O-])c(Cl)c4)CC3)c(F)c2)cc1 ZINC001454455807 1066284433 /nfs/dbraw/zinc/28/44/33/1066284433.db2.gz RZPWSFKVJOIXAJ-UHFFFAOYSA-N -1 1 454.929 4.818 20 0 JJADMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1C ZINC001443287174 1066289751 /nfs/dbraw/zinc/28/97/51/1066289751.db2.gz VGPYVTLDFGCBDM-UHFFFAOYSA-N -1 1 452.576 4.693 20 0 JJADMM O=C(c1ccc(I)c([O-])c1)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001454626832 1066310716 /nfs/dbraw/zinc/31/07/16/1066310716.db2.gz SVHXEHLNJZXOKD-GOSISDBHSA-N -1 1 455.295 4.811 20 0 JJADMM COc1ccc2oc([C@H](C)NC(=O)c3cc(I)ccc3[O-])c(C)c2c1 ZINC001443579229 1066331242 /nfs/dbraw/zinc/33/12/42/1066331242.db2.gz LJSXWZKBFXRRQA-NSHDSACASA-N -1 1 451.260 4.551 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3C[C@H]3C3CCOCC3)c2)cc1C ZINC001454890095 1066339266 /nfs/dbraw/zinc/33/92/66/1066339266.db2.gz PDKVYOTUJHMPTL-RXVVDRJESA-N -1 1 477.026 4.550 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@](F)(c4ccccc4)C3)c2)cc1 ZINC001454940959 1066344357 /nfs/dbraw/zinc/34/43/57/1066344357.db2.gz ZBQFSXWNZVVAAJ-RUZDIDTESA-N -1 1 452.551 4.897 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(F)c(F)c(F)c3F)cc2)c1C ZINC001454967975 1066347676 /nfs/dbraw/zinc/34/76/76/1066347676.db2.gz ACFNKGJNIYIFQR-UHFFFAOYSA-N -1 1 452.429 4.913 20 0 JJADMM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001443702191 1066353397 /nfs/dbraw/zinc/35/33/97/1066353397.db2.gz ACIJUTLYXZHOCN-UHFFFAOYSA-N -1 1 452.923 4.579 20 0 JJADMM COC(=O)c1c(C)sc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001455101580 1066361160 /nfs/dbraw/zinc/36/11/60/1066361160.db2.gz QJOZSPZWXUGSBP-UHFFFAOYSA-N -1 1 458.561 4.513 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC001443824499 1066372427 /nfs/dbraw/zinc/37/24/27/1066372427.db2.gz QSVLOCBHVSGGMU-UHFFFAOYSA-N -1 1 452.551 4.782 20 0 JJADMM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC001443830925 1066373509 /nfs/dbraw/zinc/37/35/09/1066373509.db2.gz MPQXBZSVAGQFJE-QHCPKHFHSA-N -1 1 452.601 4.726 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccsc4[C@@H]3C)cc2)cc1 ZINC001455291613 1066381117 /nfs/dbraw/zinc/38/11/17/1066381117.db2.gz CMIBUVDFPOPOAC-INIZCTEOSA-N -1 1 456.589 4.707 20 0 JJADMM O=C(NCc1ccc(C(F)(F)F)s1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001455416161 1066387933 /nfs/dbraw/zinc/38/79/33/1066387933.db2.gz KJYFZBUSWCIQJH-UHFFFAOYSA-N -1 1 458.458 4.637 20 0 JJADMM COc1cccc(-c2ccc(CNC(=O)c3ccc(I)cc3[O-])cc2)c1 ZINC001444005050 1066394034 /nfs/dbraw/zinc/39/40/34/1066394034.db2.gz XNBHEDBJJJEVAN-UHFFFAOYSA-N -1 1 459.283 4.602 20 0 JJADMM Cc1c2ccccc2oc1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001444012721 1066394372 /nfs/dbraw/zinc/39/43/72/1066394372.db2.gz BVKCUVZVNCJUEN-UHFFFAOYSA-N -1 1 452.507 4.540 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc4cc(Cl)ccc4[nH]3)ccc2C)c1 ZINC001455481857 1066396394 /nfs/dbraw/zinc/39/63/94/1066396394.db2.gz SHSUXKLWVPPVHT-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM C[C@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@H]1c1ccccc1 ZINC001444070692 1066399533 /nfs/dbraw/zinc/39/95/33/1066399533.db2.gz PIKOSEDMABXYRB-FZKQIMNGSA-N -1 1 454.470 4.822 20 0 JJADMM C[C@@H](NC(=O)c1ccc(I)cc1[O-])c1cc(Cl)cc(Cl)c1F ZINC001455543421 1066408888 /nfs/dbraw/zinc/40/88/88/1066408888.db2.gz CCVDIZDEFXTKMI-SSDOTTSWSA-N -1 1 454.066 4.934 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCSC[C@@H]3c3ccccc3)c2)cc1 ZINC001444138561 1066413201 /nfs/dbraw/zinc/41/32/01/1066413201.db2.gz PGLRFGMTPXMIJA-HSZRJFAPSA-N -1 1 452.601 4.726 20 0 JJADMM Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2c([O-])cnc3c(Br)cccc32)cc1 ZINC001455649664 1066419610 /nfs/dbraw/zinc/41/96/10/1066419610.db2.gz CQUOQAQBORWOFW-UHFFFAOYSA-N -1 1 451.324 4.592 20 0 JJADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001444318627 1066448110 /nfs/dbraw/zinc/44/81/10/1066448110.db2.gz IJTCOIXLDXMAGT-OPAMFIHVSA-N -1 1 458.967 4.647 20 0 JJADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001444318623 1066448151 /nfs/dbraw/zinc/44/81/51/1066448151.db2.gz IJTCOIXLDXMAGT-AOMKIAJQSA-N -1 1 458.967 4.647 20 0 JJADMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)[n-]n1 ZINC001444661777 1066489633 /nfs/dbraw/zinc/48/96/33/1066489633.db2.gz AIYZZTNOBIPFFF-UHFFFAOYSA-N -1 1 451.417 4.993 20 0 JJADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815030 1066508837 /nfs/dbraw/zinc/50/88/37/1066508837.db2.gz SXLIBUCXLYZPAM-IAGOWNOFSA-N -1 1 454.564 4.512 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccc3OC(C)(C)C)c2)c1 ZINC001444850761 1066512744 /nfs/dbraw/zinc/51/27/44/1066512744.db2.gz BQZMXMHHFPLLPJ-UHFFFAOYSA-N -1 1 452.576 4.903 20 0 JJADMM O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001444866474 1066514679 /nfs/dbraw/zinc/51/46/79/1066514679.db2.gz PKTZXUNOMXHXAR-UHFFFAOYSA-N -1 1 454.401 4.619 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncc(C(C)(C)C)s3)c2)cc1 ZINC001444870544 1066514823 /nfs/dbraw/zinc/51/48/23/1066514823.db2.gz KQTVPLDIJFTETJ-UHFFFAOYSA-N -1 1 459.593 4.892 20 0 JJADMM O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(I)cc1[O-] ZINC001444964908 1066523549 /nfs/dbraw/zinc/52/35/49/1066523549.db2.gz YLDTUBCYPSXQIE-GOSISDBHSA-N -1 1 457.311 4.753 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1)c1cc(F)ccc1[O-] ZINC001445044188 1066533267 /nfs/dbraw/zinc/53/32/67/1066533267.db2.gz DKYYELKWHNCPNA-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cc4ccccc4[nH]3)cc2)ccc1F ZINC001445247463 1066549012 /nfs/dbraw/zinc/54/90/12/1066549012.db2.gz VZCIMKATPNIIET-UHFFFAOYSA-N -1 1 451.523 4.688 20 0 JJADMM CC[C@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)Oc1ccccc1Cl ZINC001445329095 1066557732 /nfs/dbraw/zinc/55/77/32/1066557732.db2.gz VKHBBYXFIDDUHT-LJQANCHMSA-N -1 1 458.967 4.728 20 0 JJADMM CCOC[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 ZINC001445402995 1066567631 /nfs/dbraw/zinc/56/76/31/1066567631.db2.gz MAQPVNNLBARBJL-NRFANRHFSA-N -1 1 458.624 4.528 20 0 JJADMM C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC001445438993 1066571562 /nfs/dbraw/zinc/57/15/62/1066571562.db2.gz ITVKTXOMJDPEOP-GFCCVEGCSA-N -1 1 458.902 4.934 20 0 JJADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001445441708 1066572186 /nfs/dbraw/zinc/57/21/86/1066572186.db2.gz RCGONEYQMPIKHK-OALUTQOASA-N -1 1 453.029 4.853 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3COCC[C@@H]3c3ccccc3)c2)c1 ZINC001456404172 1066579236 /nfs/dbraw/zinc/57/92/36/1066579236.db2.gz WMIOEZMIBSNIBF-XMMPIXPASA-N -1 1 450.560 4.666 20 0 JJADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586587 1066591600 /nfs/dbraw/zinc/59/16/00/1066591600.db2.gz VZTCOZMDNMDVLY-PKTZIBPZSA-N -1 1 456.608 4.524 20 0 JJADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586356 1066591620 /nfs/dbraw/zinc/59/16/20/1066591620.db2.gz UPOBEYSPDYSHHM-XZOQPEGZSA-N -1 1 456.608 4.524 20 0 JJADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586355 1066591808 /nfs/dbraw/zinc/59/18/08/1066591808.db2.gz UPOBEYSPDYSHHM-PKTZIBPZSA-N -1 1 456.608 4.524 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3c(C)cccc3C)cc2)cc1 ZINC001456480924 1066594709 /nfs/dbraw/zinc/59/47/09/1066594709.db2.gz VEMHVOSFYAUBJN-UHFFFAOYSA-N -1 1 452.576 4.775 20 0 JJADMM CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001445791651 1066618189 /nfs/dbraw/zinc/61/81/89/1066618189.db2.gz FOCWWPQFEBLDET-AYHJJNSGSA-N -1 1 454.523 4.515 20 0 JJADMM CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001446005893 1066645010 /nfs/dbraw/zinc/64/50/10/1066645010.db2.gz SETWGNNVPUIFJT-HXUWFJFHSA-N -1 1 454.567 4.820 20 0 JJADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC001446043308 1066650663 /nfs/dbraw/zinc/65/06/63/1066650663.db2.gz CRWAJHKASLEHFL-LLVKDONJSA-N -1 1 454.280 4.555 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)c2)cc1 ZINC001446184533 1066669672 /nfs/dbraw/zinc/66/96/72/1066669672.db2.gz BWBCTAVIWKAPSP-UHFFFAOYSA-N -1 1 456.474 4.862 20 0 JJADMM O=C(NCCc1ccsc1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC001446334006 1066692907 /nfs/dbraw/zinc/69/29/07/1066692907.db2.gz OFOMAOBVNYZMCE-UHFFFAOYSA-N -1 1 455.388 4.828 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cc2)cc1 ZINC001456827219 1066701794 /nfs/dbraw/zinc/70/17/94/1066701794.db2.gz HTFQFZQIDRKLRE-UHFFFAOYSA-N -1 1 453.564 4.831 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)n3)c2)cc1 ZINC001446431503 1066705214 /nfs/dbraw/zinc/70/52/14/1066705214.db2.gz YRDBOAIWTDUCOI-UHFFFAOYSA-N -1 1 459.955 4.804 20 0 JJADMM CC(C)(C)Oc1ccncc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001446532874 1066717133 /nfs/dbraw/zinc/71/71/33/1066717133.db2.gz HCBMUUGKTYYZSK-UHFFFAOYSA-N -1 1 459.955 4.965 20 0 JJADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])c1 ZINC001446715394 1066733667 /nfs/dbraw/zinc/73/36/67/1066733667.db2.gz UCILVCNCPZTURP-VQTJNVASSA-N -1 1 472.950 4.597 20 0 JJADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001446812081 1066743283 /nfs/dbraw/zinc/74/32/83/1066743283.db2.gz DPDKXTHEDHPDFX-UHFFFAOYSA-N -1 1 459.446 4.592 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3Cc4ccccc4[C@@H]3CC)c2)cc1 ZINC001457019778 1066744939 /nfs/dbraw/zinc/74/49/39/1066744939.db2.gz WCHQCPICXCMWDX-DEOSSOPVSA-N -1 1 450.560 4.993 20 0 JJADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886819 1066753812 /nfs/dbraw/zinc/75/38/12/1066753812.db2.gz YAKBZUXWVCAVQI-KBXCAEBGSA-N -1 1 451.386 4.653 20 0 JJADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886833 1066754269 /nfs/dbraw/zinc/75/42/69/1066754269.db2.gz YAKBZUXWVCAVQI-RDTXWAMCSA-N -1 1 451.386 4.653 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC001446978642 1066761015 /nfs/dbraw/zinc/76/10/15/1066761015.db2.gz GJZFJGOONCLKIC-HXUWFJFHSA-N -1 1 456.420 4.706 20 0 JJADMM O=C(N[C@H]1CC12CCCCC2)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001446977589 1066761039 /nfs/dbraw/zinc/76/10/39/1066761039.db2.gz BLLRHDBOJXVXOW-IBGZPJMESA-N -1 1 452.498 4.959 20 0 JJADMM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)c1ccc(Cl)s1 ZINC001447005786 1066764581 /nfs/dbraw/zinc/76/45/81/1066764581.db2.gz WDMOVTUAGGTRKE-NSHDSACASA-N -1 1 456.923 4.972 20 0 JJADMM COCC[C@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c2ccccc21 ZINC001457193184 1066783860 /nfs/dbraw/zinc/78/38/60/1066783860.db2.gz RVDPUSXZABWMRK-CQSZACIVSA-N -1 1 452.429 4.674 20 0 JJADMM Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001447246061 1066784473 /nfs/dbraw/zinc/78/44/73/1066784473.db2.gz LCTBEJPAEZAQOZ-UHFFFAOYSA-N -1 1 450.495 4.577 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3c3ccccc3)cc2)cc1 ZINC001447349418 1066796990 /nfs/dbraw/zinc/79/69/90/1066796990.db2.gz XEZFNVNZXXUIGK-DEOSSOPVSA-N -1 1 450.560 4.863 20 0 JJADMM CCOc1c(Cl)cc(NC(=O)c2cc(I)ccc2[O-])cc1Cl ZINC001447389927 1066802829 /nfs/dbraw/zinc/80/28/29/1066802829.db2.gz BNQLSYCNLIOEPH-UHFFFAOYSA-N -1 1 452.075 4.955 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOCc3ccc(F)cc3)c2)cc1 ZINC001447557462 1066821477 /nfs/dbraw/zinc/82/14/77/1066821477.db2.gz LILRVAWMHACYBI-UHFFFAOYSA-N -1 1 456.539 4.831 20 0 JJADMM O=C(NCC1(c2cccc(F)c2F)CCCC1)c1cc(I)ccc1[O-] ZINC001447650980 1066835989 /nfs/dbraw/zinc/83/59/89/1066835989.db2.gz ONOLYBUPXGWTCZ-UHFFFAOYSA-N -1 1 457.258 4.517 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4cc(Cl)ccc4C3)ccc2C)c1 ZINC001447656181 1066837516 /nfs/dbraw/zinc/83/75/16/1066837516.db2.gz ICNQKAIDVXLIJJ-UHFFFAOYSA-N -1 1 454.979 4.956 20 0 JJADMM O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001457576596 1066868940 /nfs/dbraw/zinc/86/89/40/1066868940.db2.gz UTRURHMEKINLFK-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC[C@@H](C)C3)c2)cc1 ZINC001447846906 1066869120 /nfs/dbraw/zinc/86/91/20/1066869120.db2.gz MYEHUWKCRHXIPL-MRXNPFEDSA-N -1 1 450.988 4.802 20 0 JJADMM CCCc1nc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)s1 ZINC001447960786 1066883361 /nfs/dbraw/zinc/88/33/61/1066883361.db2.gz XCFSOSABUVSAIC-UHFFFAOYSA-N -1 1 451.520 4.735 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccc4ncsc4c3)cc2)cc1 ZINC001448003293 1066889208 /nfs/dbraw/zinc/88/92/08/1066889208.db2.gz DQDXIGCAJUNGFV-MRXNPFEDSA-N -1 1 451.573 4.897 20 0 JJADMM COc1cccc2c1CC[C@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457692751 1066899071 /nfs/dbraw/zinc/89/90/71/1066899071.db2.gz OPLZEGOPRKJTMA-OAQYLSRUSA-N -1 1 456.951 4.567 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NOC1CCCCC1 ZINC001448109782 1066900861 /nfs/dbraw/zinc/90/08/61/1066900861.db2.gz JULBWQFIOWCWGE-UHFFFAOYSA-N -1 1 457.379 4.717 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001457774138 1066916506 /nfs/dbraw/zinc/91/65/06/1066916506.db2.gz CXYFGPHPDFSMCL-QHCPKHFHSA-N -1 1 458.942 4.852 20 0 JJADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001457788244 1066920189 /nfs/dbraw/zinc/92/01/89/1066920189.db2.gz RGXWITURLUAWJJ-UHFFFAOYSA-N -1 1 455.081 4.699 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1 ZINC001457807269 1066924893 /nfs/dbraw/zinc/92/48/93/1066924893.db2.gz QYNJITHOMNTIEF-UHFFFAOYSA-N -1 1 454.979 4.997 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC001457847309 1066931953 /nfs/dbraw/zinc/93/19/53/1066931953.db2.gz DLPIBEWASZPRCT-UYAOXDASSA-N -1 1 474.579 4.647 20 0 JJADMM CCC1(c2ccccc2)CN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)C1 ZINC001457848178 1066931993 /nfs/dbraw/zinc/93/19/93/1066931993.db2.gz ASFCUYQDCWCOIQ-UHFFFAOYSA-N -1 1 452.551 4.739 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nccc4cc[nH]c43)c2)cc1C ZINC001457930868 1066942747 /nfs/dbraw/zinc/94/27/47/1066942747.db2.gz CBVKCLYUKZXKEM-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM Cc1c(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cnn1C1CCCC1 ZINC001448624117 1066944960 /nfs/dbraw/zinc/94/49/60/1066944960.db2.gz WAVMBFCINAOEGF-UHFFFAOYSA-N -1 1 452.580 4.977 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)c1C ZINC001448657262 1066946896 /nfs/dbraw/zinc/94/68/96/1066946896.db2.gz DFGHCAWYYJGOIP-XMSQKQJNSA-N -1 1 456.514 4.668 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)c2)c1 ZINC001448662099 1066947298 /nfs/dbraw/zinc/94/72/98/1066947298.db2.gz PVEPQWBJLOAOMP-WIYYLYMNSA-N -1 1 456.514 4.668 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3C[C@H](c4ccccc4C)C3)c2)cc1F ZINC001448660171 1066947400 /nfs/dbraw/zinc/94/74/00/1066947400.db2.gz INRLYWUABNPBQL-XUTJKUGGSA-N -1 1 452.551 4.919 20 0 JJADMM CCO[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC001448686223 1066950833 /nfs/dbraw/zinc/95/08/33/1066950833.db2.gz GCWCCEMPWKCBOO-JOCHJYFZSA-N -1 1 458.967 4.648 20 0 JJADMM O=C(Nc1ccc(C(=O)Nc2ccc3cc(Cl)cnc3n2)c([O-])c1)c1cc(F)cc(F)c1 ZINC001458021725 1066957638 /nfs/dbraw/zinc/95/76/38/1066957638.db2.gz DNRPYNHDGQONAS-UHFFFAOYSA-N -1 1 454.820 4.772 20 0 JJADMM Cc1[nH]c2c(cccc2C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC001545695474 1066962616 /nfs/dbraw/zinc/96/26/16/1066962616.db2.gz UEIZODKEFPCANL-UHFFFAOYSA-N -1 1 451.523 4.655 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)c2)c1 ZINC001448901768 1066968506 /nfs/dbraw/zinc/96/85/06/1066968506.db2.gz DIIMGJRLQXKMSC-KNQAVFIVSA-N -1 1 458.942 4.874 20 0 JJADMM CCOc1cc(C)ccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001545721119 1066975595 /nfs/dbraw/zinc/97/55/95/1066975595.db2.gz PEYIFBCHGQDQCM-UHFFFAOYSA-N -1 1 456.539 4.572 20 0 JJADMM COc1cc(OC)cc(Oc2cccc(CNC(=O)c3ccc(Br)cc3[O-])c2)c1 ZINC001449268720 1066994577 /nfs/dbraw/zinc/99/45/77/1066994577.db2.gz YMUIFVPKOXVSOS-UHFFFAOYSA-N -1 1 458.308 4.894 20 0 JJADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001545737983 1067001704 /nfs/dbraw/zinc/00/17/04/1067001704.db2.gz ZQSPCRHIEYARDH-OAQYLSRUSA-N -1 1 451.958 4.581 20 0 JJADMM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC001449404580 1067007567 /nfs/dbraw/zinc/00/75/67/1067007567.db2.gz HLYMZMQKCJSOLW-IBGZPJMESA-N -1 1 457.395 4.774 20 0 JJADMM CN(CCC(=O)Nc1ccc([O-])c(F)c1F)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001449449351 1067009622 /nfs/dbraw/zinc/00/96/22/1067009622.db2.gz QIOLYWAFPKEGOT-UHFFFAOYSA-N -1 1 452.457 4.880 20 0 JJADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc(SC(F)(F)F)cc1 ZINC001458257329 1067014310 /nfs/dbraw/zinc/01/43/10/1067014310.db2.gz XMZZQCGTPODSFI-LLVKDONJSA-N -1 1 451.488 4.886 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C[C@H]3C)c2)c1 ZINC001450011062 1067041388 /nfs/dbraw/zinc/04/13/88/1067041388.db2.gz UJFZWKRYOPVKJQ-SJLPKXTDSA-N -1 1 454.514 4.907 20 0 JJADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC12CCC2 ZINC001450240166 1067062832 /nfs/dbraw/zinc/06/28/32/1067062832.db2.gz QBBXIKXTAYFBMS-QGZVFWFLSA-N -1 1 454.523 4.517 20 0 JJADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450269914 1067067174 /nfs/dbraw/zinc/06/71/74/1067067174.db2.gz KGLZBPSNPFKNFA-OAQYLSRUSA-N -1 1 456.514 4.689 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc(CC(F)(F)F)cs3)c2)cc1 ZINC001450295771 1067069920 /nfs/dbraw/zinc/06/99/20/1067069920.db2.gz VZDQEVRSIYTSPO-UHFFFAOYSA-N -1 1 455.483 4.609 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)c3ccccc3F)c2)cc1 ZINC001450339000 1067071427 /nfs/dbraw/zinc/07/14/27/1067071427.db2.gz ZFRSZBBRBUKMRN-UHFFFAOYSA-N -1 1 456.539 4.690 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cnn(CC(C)C)c3C3CC3)c2)c1 ZINC001450599963 1067093753 /nfs/dbraw/zinc/09/37/53/1067093753.db2.gz WQVWSVABXNIDSY-UHFFFAOYSA-N -1 1 452.580 4.778 20 0 JJADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CC[C@@H]1C(F)(F)F ZINC001450638838 1067098004 /nfs/dbraw/zinc/09/80/04/1067098004.db2.gz KMQUMZFYFIXMNA-OAHLLOKOSA-N -1 1 453.269 4.571 20 0 JJADMM CC1(C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)[C@H]1C1CC1 ZINC001450735991 1067113086 /nfs/dbraw/zinc/11/30/86/1067113086.db2.gz CHCFHCLOZNFEQC-IBGZPJMESA-N -1 1 452.498 4.767 20 0 JJADMM COc1ccc(-n2c(SCc3nn[n-]n3)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC001458726813 1067119812 /nfs/dbraw/zinc/11/98/12/1067119812.db2.gz DEGGRNLDWSUEDY-UHFFFAOYSA-N -1 1 455.975 4.699 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCOCc3ccccc3)c2)c1 ZINC001450805048 1067124306 /nfs/dbraw/zinc/12/43/06/1067124306.db2.gz PKUITFVIYLUXJD-FQEVSTJZSA-N -1 1 452.576 4.521 20 0 JJADMM CCCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1 ZINC001545816403 1067145945 /nfs/dbraw/zinc/14/59/45/1067145945.db2.gz JINMPXJRMHRNCF-UHFFFAOYSA-N -1 1 452.532 4.731 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)c2)c1 ZINC001451290215 1067158077 /nfs/dbraw/zinc/15/80/77/1067158077.db2.gz CHEFBUHNZURUBB-FCHUYYIVSA-N -1 1 458.624 4.816 20 0 JJADMM COC[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001451401347 1067165009 /nfs/dbraw/zinc/16/50/09/1067165009.db2.gz WYXGQKSBTFARFU-HSZRJFAPSA-N -1 1 458.624 4.671 20 0 JJADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])[C@@H]1SC ZINC001452203101 1067214246 /nfs/dbraw/zinc/21/42/46/1067214246.db2.gz HUXQTGPQYUSNNC-QRQLOZEOSA-N -1 1 469.390 4.590 20 0 JJADMM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])c1 ZINC001546105518 1067229233 /nfs/dbraw/zinc/22/92/33/1067229233.db2.gz LKIHXKPBOWESQJ-ZWKOTPCHSA-N -1 1 456.951 4.897 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCC[C@H]3CC3(Cl)Cl)c2)c1 ZINC001452686186 1067243451 /nfs/dbraw/zinc/24/34/51/1067243451.db2.gz AVWVQDMLVSBLBE-KRWDZBQOSA-N -1 1 455.407 4.808 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC[C@@H]3CC3(Cl)Cl)cc2)cc1C ZINC001452690920 1067244297 /nfs/dbraw/zinc/24/42/97/1067244297.db2.gz KLWMWQFWVDVUGW-QGZVFWFLSA-N -1 1 455.407 4.808 20 0 JJADMM Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[n-]c1=O ZINC001459089463 1067249195 /nfs/dbraw/zinc/24/91/95/1067249195.db2.gz CZOFDTFBXKBTRB-XAUMDUMWSA-N -1 1 457.596 4.839 20 0 JJADMM CS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001452766099 1067249654 /nfs/dbraw/zinc/24/96/54/1067249654.db2.gz KATGFDKIUBYGJZ-RTBURBONSA-N -1 1 472.554 4.910 20 0 JJADMM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC001459114173 1067253429 /nfs/dbraw/zinc/25/34/29/1067253429.db2.gz HQDDQOYFXDZFKR-UHFFFAOYSA-N -1 1 457.911 4.571 20 0 JJADMM Cc1ccc(C2(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)CCC2)cc1 ZINC001452843393 1067257055 /nfs/dbraw/zinc/25/70/55/1067257055.db2.gz IBEITYCOMJKYSG-UHFFFAOYSA-N -1 1 456.514 4.883 20 0 JJADMM COc1ccc(C[C@H]2CCCCN2C(=O)c2c([O-])cnc3c(Br)cccc32)cc1 ZINC001452946416 1067266088 /nfs/dbraw/zinc/26/60/88/1067266088.db2.gz YCASTUIDPNKTCC-MRXNPFEDSA-N -1 1 455.352 4.949 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC4(CCC4)OC[C@@H]3C)c2)cc1 ZINC001452963916 1067268617 /nfs/dbraw/zinc/26/86/17/1067268617.db2.gz VWYOTOSOZVYWHC-IBGZPJMESA-N -1 1 456.608 4.614 20 0 JJADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001453226572 1067290309 /nfs/dbraw/zinc/29/03/09/1067290309.db2.gz KAEWDLHWSLZNII-JOCHJYFZSA-N -1 1 454.567 4.994 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(CCC(C)C)s3)cc2)cc1C ZINC001453377668 1067302090 /nfs/dbraw/zinc/30/20/90/1067302090.db2.gz RBJLXAQEPWLMEY-UHFFFAOYSA-N -1 1 458.609 4.797 20 0 JJADMM CC[C@](C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC001453581303 1067316323 /nfs/dbraw/zinc/31/63/23/1067316323.db2.gz HCGBSVDUPBSWLV-FQEVSTJZSA-N -1 1 451.386 4.558 20 0 JJADMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cnc(Br)c(Cl)c1 ZINC001460060746 1067542251 /nfs/dbraw/zinc/54/22/51/1067542251.db2.gz KQOPVOAFPBLGNZ-UHFFFAOYSA-N -1 1 450.676 4.582 20 0 JJADMM COC[C@@H](NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1cccc(Cl)c1 ZINC001460195988 1067576506 /nfs/dbraw/zinc/57/65/06/1067576506.db2.gz JUIFSRLXLVZVMQ-LJQANCHMSA-N -1 1 455.967 4.791 20 0 JJADMM O=C(CCCSc1ccc(Cl)cc1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001461028168 1067764666 /nfs/dbraw/zinc/76/46/66/1067764666.db2.gz XNQFUGAKRWAEQG-INIZCTEOSA-N -1 1 456.917 4.849 20 0 JJADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cc(F)c(Cl)cc2Cl)c(F)cc1Cl ZINC001462710840 1068138891 /nfs/dbraw/zinc/13/88/91/1068138891.db2.gz YNUOEQPGYOTDSO-SSDOTTSWSA-N -1 1 458.697 4.751 20 0 JJADMM CCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCC1 ZINC001546134010 1068153164 /nfs/dbraw/zinc/15/31/64/1068153164.db2.gz IMKLZWHDMZJYAM-UHFFFAOYSA-N -1 1 493.574 4.819 20 0 JJADMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC001462892301 1068205555 /nfs/dbraw/zinc/20/55/55/1068205555.db2.gz QJEJATREWXDTNG-NSHDSACASA-N -1 1 453.185 4.810 20 0 JJADMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC001462929107 1068217648 /nfs/dbraw/zinc/21/76/48/1068217648.db2.gz UEIILKFCNGSPPR-UHFFFAOYSA-N -1 1 450.771 4.674 20 0 JJADMM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463001798 1068245814 /nfs/dbraw/zinc/24/58/14/1068245814.db2.gz LAYMYHKILINUGZ-UHFFFAOYSA-N -1 1 453.185 4.676 20 0 JJADMM CCC(CC)(C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC001463017712 1068253290 /nfs/dbraw/zinc/25/32/90/1068253290.db2.gz HJIXISFQNUPGLY-UHFFFAOYSA-N -1 1 458.333 4.782 20 0 JJADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001463037243 1068259490 /nfs/dbraw/zinc/25/94/90/1068259490.db2.gz BPQNNKRUJIPAGO-MRXNPFEDSA-N -1 1 454.495 4.592 20 0 JJADMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294748 1068348164 /nfs/dbraw/zinc/34/81/64/1068348164.db2.gz SVCOIXPZDLGEIB-GWCFXTLKSA-N -1 1 453.185 4.546 20 0 JJADMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294757 1068348259 /nfs/dbraw/zinc/34/82/59/1068348259.db2.gz SVCOIXPZDLGEIB-ZWNOBZJWSA-N -1 1 453.185 4.546 20 0 JJADMM O=S(=O)([N-]C(Cc1ccccc1F)Cc1ccccc1F)c1cnc(Cl)cc1Cl ZINC001463359324 1068370899 /nfs/dbraw/zinc/37/08/99/1068370899.db2.gz KXCWCQHFVHOXJO-UHFFFAOYSA-N -1 1 457.329 4.799 20 0 JJADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1C ZINC001463381912 1068378824 /nfs/dbraw/zinc/37/88/24/1068378824.db2.gz KICSANILBCESKC-SFHVURJKSA-N -1 1 454.331 4.749 20 0 JJADMM O=S(=O)([N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC001463415651 1068390644 /nfs/dbraw/zinc/39/06/44/1068390644.db2.gz XVHVWELXTCIIDC-JTQLQIEISA-N -1 1 458.169 4.997 20 0 JJADMM O=C1CCCc2cc(S(=O)(=O)[N-][C@H](c3ccccc3C(F)(F)F)C(F)(F)F)ccc21 ZINC001463506764 1068422687 /nfs/dbraw/zinc/42/26/87/1068422687.db2.gz VADIVCQPDPIXHC-QGZVFWFLSA-N -1 1 451.388 4.806 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(C3CC3)[nH]c2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463563958 1068445977 /nfs/dbraw/zinc/44/59/77/1068445977.db2.gz KEJDONHADSAOFK-UHFFFAOYSA-N -1 1 457.939 4.680 20 0 JJADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463582337 1068455215 /nfs/dbraw/zinc/45/52/15/1068455215.db2.gz MWHVTVIEZUNPRG-AZUAARDMSA-N -1 1 451.386 4.871 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C[C@H](C)C(F)(F)F ZINC001463583960 1068456948 /nfs/dbraw/zinc/45/69/48/1068456948.db2.gz UHQJHGNXUXMTKN-NSHDSACASA-N -1 1 450.866 4.676 20 0 JJADMM Cc1cc(Cl)cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1N ZINC001463623014 1068470781 /nfs/dbraw/zinc/47/07/81/1068470781.db2.gz AOQIKDJXKGEYES-UHFFFAOYSA-N -1 1 450.347 4.937 20 0 JJADMM CCCC[C@H](O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001463624389 1068471468 /nfs/dbraw/zinc/47/14/68/1068471468.db2.gz IHUQZFXJHCEEER-SFHVURJKSA-N -1 1 458.502 4.776 20 0 JJADMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC001463652623 1068481628 /nfs/dbraw/zinc/48/16/28/1068481628.db2.gz GEUPSDHHJGHKKR-UHFFFAOYSA-N -1 1 452.532 4.533 20 0 JJADMM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1)CO2 ZINC001463653127 1068482445 /nfs/dbraw/zinc/48/24/45/1068482445.db2.gz KELBBZCBOFLTAN-OAQYLSRUSA-N -1 1 456.951 4.872 20 0 JJADMM O=S(=O)([N-]CC1(c2ccccn2)CCC1)c1cc(Br)c(Cl)cc1Cl ZINC001463679553 1068491794 /nfs/dbraw/zinc/49/17/94/1068491794.db2.gz LAJDLNAXJPEPGV-UHFFFAOYSA-N -1 1 450.185 4.551 20 0 JJADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001463683006 1068492439 /nfs/dbraw/zinc/49/24/39/1068492439.db2.gz FYXHQIZHTJGELO-HNNXBMFYSA-N -1 1 453.178 4.915 20 0 JJADMM CN(CCC(F)(F)F)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700960 1068499156 /nfs/dbraw/zinc/49/91/56/1068499156.db2.gz SDLCWGSGGLBQKS-MRXNPFEDSA-N -1 1 456.864 4.522 20 0 JJADMM CSc1ncc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC001463740361 1068508819 /nfs/dbraw/zinc/50/88/19/1068508819.db2.gz FYDDZLOLCUOBCL-UHFFFAOYSA-N -1 1 459.575 4.646 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001463809260 1068532926 /nfs/dbraw/zinc/53/29/26/1068532926.db2.gz JEELCFUUVLUFOR-WOIUINJBSA-N -1 1 456.608 4.975 20 0 JJADMM O=C(Cc1nc(C2CCCC2)cs1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001463833680 1068541014 /nfs/dbraw/zinc/54/10/14/1068541014.db2.gz HEBLJQJTECCRCB-UHFFFAOYSA-N -1 1 459.568 4.922 20 0 JJADMM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001463952363 1068573315 /nfs/dbraw/zinc/57/33/15/1068573315.db2.gz DJFUSGRCJRTVJI-UHFFFAOYSA-N -1 1 450.297 4.877 20 0 JJADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC001463976555 1068579905 /nfs/dbraw/zinc/57/99/05/1068579905.db2.gz WSYYPZQTFVTWNC-IBGZPJMESA-N -1 1 452.576 4.946 20 0 JJADMM O=S(=O)([N-]CC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cnc(Cl)cc1Cl ZINC001463978598 1068580413 /nfs/dbraw/zinc/58/04/13/1068580413.db2.gz NXDDXJUPCUEHAW-UHFFFAOYSA-N -1 1 455.285 4.687 20 0 JJADMM O=C(NC[C@H]1CCCc2ccccc21)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001464034401 1068595246 /nfs/dbraw/zinc/59/52/46/1068595246.db2.gz SMIQFTVNOIRUBY-GOSISDBHSA-N -1 1 454.979 4.991 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(C)cc3C)cc2)cc1 ZINC001464072985 1068605747 /nfs/dbraw/zinc/60/57/47/1068605747.db2.gz KVEDRMYEGOZCSW-LJQANCHMSA-N -1 1 452.576 4.946 20 0 JJADMM CC(C)[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)NC(=O)OC(C)(C)C ZINC001464118664 1068621241 /nfs/dbraw/zinc/62/12/41/1068621241.db2.gz JMPROBIUDNLKDE-CQSZACIVSA-N -1 1 458.930 4.577 20 0 JJADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC001464159196 1068637688 /nfs/dbraw/zinc/63/76/88/1068637688.db2.gz LUHGRYPDYIFQOT-ZWKOTPCHSA-N -1 1 473.595 4.509 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001464178660 1068644799 /nfs/dbraw/zinc/64/47/99/1068644799.db2.gz FFWVWVXMZVVNBZ-UHFFFAOYSA-N -1 1 452.923 4.579 20 0 JJADMM Cc1ccc(NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001464186407 1068647483 /nfs/dbraw/zinc/64/74/83/1068647483.db2.gz FXFLOCAKFFKZAY-FCHUYYIVSA-N -1 1 452.601 4.881 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(OC(C)C)c3)ccc2C)cc1 ZINC001464285374 1068691514 /nfs/dbraw/zinc/69/15/14/1068691514.db2.gz XTXXWJDZCVAKKN-UHFFFAOYSA-N -1 1 452.576 4.821 20 0 JJADMM CC(C)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)[C@H]1CCCCO1 ZINC001464338085 1068711733 /nfs/dbraw/zinc/71/17/33/1068711733.db2.gz GVFASHWNLGPIJF-LJQANCHMSA-N -1 1 454.951 4.814 20 0 JJADMM O=C(Cc1ccc(F)cc1F)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001464343040 1068713519 /nfs/dbraw/zinc/71/35/19/1068713519.db2.gz YWMMWZQKWXCIGA-UHFFFAOYSA-N -1 1 454.857 4.739 20 0 JJADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(F)cc1Cl ZINC001464344284 1068713626 /nfs/dbraw/zinc/71/36/26/1068713626.db2.gz IHSPWYPNKNIUQC-LPHOPBHVSA-N -1 1 453.963 4.907 20 0 JJADMM COc1ccc(Br)cc1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001464357256 1068718396 /nfs/dbraw/zinc/71/83/96/1068718396.db2.gz CFNUDJCETFFZLE-UHFFFAOYSA-N -1 1 452.102 4.726 20 0 JJADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br)C(=O)c1ccccc1 ZINC001464373534 1068721585 /nfs/dbraw/zinc/72/15/85/1068721585.db2.gz ZHEQBXOHYLNQNL-CQSZACIVSA-N -1 1 451.169 4.696 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001464381407 1068725743 /nfs/dbraw/zinc/72/57/43/1068725743.db2.gz OZWALFCRNYUHJL-PHIMTYICSA-N -1 1 456.383 4.942 20 0 JJADMM COCCOc1ccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)cc1Cl ZINC001464402786 1068733689 /nfs/dbraw/zinc/73/36/89/1068733689.db2.gz OCPIHKKDBYYBHU-UHFFFAOYSA-N -1 1 451.704 4.634 20 0 JJADMM O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccc(I)c([O-])c1 ZINC001464441581 1068747270 /nfs/dbraw/zinc/74/72/70/1068747270.db2.gz ZVQHMXVNUYOJRD-UHFFFAOYSA-N -1 1 455.723 4.892 20 0 JJADMM O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1ccc(I)c([O-])c1 ZINC001464461509 1068755525 /nfs/dbraw/zinc/75/55/25/1068755525.db2.gz MQUKANQICLCWHN-UHFFFAOYSA-N -1 1 453.295 4.768 20 0 JJADMM O=S(=O)([N-][C@H]1CCOc2ccc(Br)cc21)c1c(Cl)cc(F)cc1Cl ZINC001464481855 1068762338 /nfs/dbraw/zinc/76/23/38/1068762338.db2.gz CILJZRBWIABTAI-ZDUSSCGKSA-N -1 1 455.132 4.697 20 0 JJADMM COc1ccccc1C(C)(C)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001464598957 1068795445 /nfs/dbraw/zinc/79/54/45/1068795445.db2.gz QLHYYLPGRGDQTG-UHFFFAOYSA-N -1 1 454.473 4.639 20 0 JJADMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1c([O-])cnc2c(Br)cccc21 ZINC001464623606 1068802086 /nfs/dbraw/zinc/80/20/86/1068802086.db2.gz AUPNBBUZHMQZGQ-UHFFFAOYSA-N -1 1 450.292 4.820 20 0 JJADMM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cccc3ccc(Cl)cc32)cc1 ZINC001464639578 1068807350 /nfs/dbraw/zinc/80/73/50/1068807350.db2.gz MLUXZXMVYMAHEI-UHFFFAOYSA-N -1 1 453.969 4.803 20 0 JJADMM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc3sc(Cl)nc3c2)C(=O)OC(C)(C)C)c1 ZINC001464707473 1068832707 /nfs/dbraw/zinc/83/27/07/1068832707.db2.gz MNSYHFHTBWRYIU-KRWDZBQOSA-N -1 1 452.985 4.619 20 0 JJADMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc3sc(Cl)nc3c2)C(=O)OC(C)(C)C)c1 ZINC001464707476 1068832814 /nfs/dbraw/zinc/83/28/14/1068832814.db2.gz MNSYHFHTBWRYIU-QGZVFWFLSA-N -1 1 452.985 4.619 20 0 JJADMM CC(C)(C)O[C@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC001464719486 1068837168 /nfs/dbraw/zinc/83/71/68/1068837168.db2.gz HFVUVMNTQRKOLY-QHCPKHFHSA-N -1 1 452.576 4.660 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(Nc2cccnc2)cc1 ZINC001464719594 1068837371 /nfs/dbraw/zinc/83/73/71/1068837371.db2.gz HLDXMOUESUIFFP-UHFFFAOYSA-N -1 1 458.543 4.556 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1sc2ncccc2c1Cl ZINC001464724418 1068839041 /nfs/dbraw/zinc/83/90/41/1068839041.db2.gz UQQNLEXWYHKPOR-UHFFFAOYSA-N -1 1 457.964 4.681 20 0 JJADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012790097 195131136 /nfs/dbraw/zinc/13/11/36/195131136.db2.gz KODSDQRMRJYNPK-UHFFFAOYSA-N -1 1 464.465 4.500 20 0 JJADMM CCCc1nc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nn1-c1ccccc1Cl ZINC001359946914 1064695012 /nfs/dbraw/zinc/69/50/12/1064695012.db2.gz STXKADWDLROASQ-UHFFFAOYSA-N -1 1 456.934 4.707 20 0 JJADMM CSc1nc(C)c(CCC(=O)Oc2ccc(Br)cc2C(F)(F)F)c(=O)[n-]1 ZINC001435776080 1064987474 /nfs/dbraw/zinc/98/74/74/1064987474.db2.gz HMJODLMFQKUZKJ-UHFFFAOYSA-N -1 1 451.264 4.532 20 0 JJADMM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)[nH]1 ZINC001435887553 1065044862 /nfs/dbraw/zinc/04/48/62/1065044862.db2.gz TXTUMMZCNKVUPM-GFCCVEGCSA-N -1 1 454.340 4.963 20 0 JJADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC001360185715 1065071768 /nfs/dbraw/zinc/07/17/68/1065071768.db2.gz XVGSGYYAXWUNIA-UHFFFAOYSA-N -1 1 451.589 4.769 20 0 JJADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(Cl)cc(Cl)cc3Cl)c2)n1 ZINC001436101000 1065179791 /nfs/dbraw/zinc/17/97/91/1065179791.db2.gz UBRDHGPHTUGYEY-UHFFFAOYSA-N -1 1 453.713 4.539 20 0 JJADMM CCOC(=O)c1c[n-]c(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)n1 ZINC001436225770 1065264927 /nfs/dbraw/zinc/26/49/27/1065264927.db2.gz DZECSKOZZGPXJH-UHFFFAOYSA-N -1 1 458.305 4.549 20 0 JJADMM CCC(C)(C)C1CCC(CC(=O)N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001436239700 1065272112 /nfs/dbraw/zinc/27/21/12/1065272112.db2.gz RRTXHLFPPVNUMO-CULRFDQTSA-N -1 1 460.581 4.694 20 0 JJADMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC001436247524 1065274211 /nfs/dbraw/zinc/27/42/11/1065274211.db2.gz SGLZOHFRSCXHFR-UHFFFAOYSA-N -1 1 452.417 4.543 20 0 JJADMM O=C([N-]c1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(OCC(F)(F)F)o1 ZINC001436768685 1065438152 /nfs/dbraw/zinc/43/81/52/1065438152.db2.gz AFJPIIKJZOEJCC-UHFFFAOYSA-N -1 1 451.348 4.934 20 0 JJADMM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC001436882068 1065464532 /nfs/dbraw/zinc/46/45/32/1065464532.db2.gz UUVLMGDIBYDQJX-UHFFFAOYSA-N -1 1 459.909 4.866 20 0 JJADMM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437475256 1065559316 /nfs/dbraw/zinc/55/93/16/1065559316.db2.gz MOOBPEOJMDVZBE-TWUVWWFLSA-N -1 1 472.523 4.563 20 0 JJADMM C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC001360579210 1065575813 /nfs/dbraw/zinc/57/58/13/1065575813.db2.gz QRFHOBLGMHOGNZ-KRWDZBQOSA-N -1 1 495.565 4.849 20 0 JJADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2n1 ZINC001438062515 1065663033 /nfs/dbraw/zinc/66/30/33/1065663033.db2.gz JGHPVXSKNYQZNF-DDHLJCNDSA-N -1 1 460.365 4.514 20 0 JJADMM CC(C)(C)OC(=O)Nc1cc([N-]C(=O)c2cnc(-c3ncccn3)s2)c(F)c(F)c1F ZINC001439456384 1065830549 /nfs/dbraw/zinc/83/05/49/1065830549.db2.gz FIWLLNMSOFNRSJ-UHFFFAOYSA-N -1 1 451.430 4.617 20 0 JJADMM CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001440201259 1065923524 /nfs/dbraw/zinc/92/35/24/1065923524.db2.gz WMYRPJHBZUKNJY-KYJSFNMBSA-N -1 1 477.365 4.569 20 0 JJADMM Cc1ccc(NC(=O)[C@@H](C)OCc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440379745 1065934805 /nfs/dbraw/zinc/93/48/05/1065934805.db2.gz AVISDCRRWMLNAP-QGZVFWFLSA-N -1 1 458.967 4.993 20 0 JJADMM Cc1ccc(NC(=O)c2ncnc3ccsc32)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440380150 1065934941 /nfs/dbraw/zinc/93/49/41/1065934941.db2.gz CPFSCOVPENRJAR-UHFFFAOYSA-N -1 1 458.952 4.706 20 0 JJADMM CCOc1nc(C)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001440386992 1065936802 /nfs/dbraw/zinc/93/68/02/1065936802.db2.gz OLAZZXPDKBODNU-UHFFFAOYSA-N -1 1 459.955 4.804 20 0 JJADMM Cc1ccc(NC(=O)c2c(F)ccnc2Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440387022 1065936947 /nfs/dbraw/zinc/93/69/47/1065936947.db2.gz PARPMRUVFFJTIS-UHFFFAOYSA-N -1 1 454.310 4.889 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)/C=C/c1cccnc1C ZINC001440414525 1065939493 /nfs/dbraw/zinc/93/94/93/1065939493.db2.gz VRYASFYWXNTVOJ-LFYBBSHMSA-N -1 1 457.939 4.505 20 0 JJADMM CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001440423911 1065940227 /nfs/dbraw/zinc/94/02/27/1065940227.db2.gz SWGRGWPTIQFSAU-XDHUDOTRSA-N -1 1 458.580 4.804 20 0 JJADMM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001440423903 1065940342 /nfs/dbraw/zinc/94/03/42/1065940342.db2.gz SWGRGWPTIQFSAU-MZNJEOGPSA-N -1 1 458.580 4.804 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC001440476819 1065942394 /nfs/dbraw/zinc/94/23/94/1065942394.db2.gz CQNPJAHWFWPHAV-HUUCEWRRSA-N -1 1 452.376 4.643 20 0 JJADMM CC(C)c1oncc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001440481454 1065943178 /nfs/dbraw/zinc/94/31/78/1065943178.db2.gz MRYPWZRBDYITCC-UHFFFAOYSA-N -1 1 453.442 4.870 20 0 JJADMM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)nc1 ZINC001440495170 1065944659 /nfs/dbraw/zinc/94/46/59/1065944659.db2.gz DDOPIKSPXCYKJD-UHFFFAOYSA-N -1 1 459.955 4.965 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cn(C)c4ccc(F)cc34)ccc2C)c1 ZINC001440576069 1065951294 /nfs/dbraw/zinc/95/12/94/1065951294.db2.gz FWQXVDDYWCGHEC-UHFFFAOYSA-N -1 1 451.523 4.987 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2)cc1 ZINC001440702377 1065967765 /nfs/dbraw/zinc/96/77/65/1065967765.db2.gz CPWKGZZCVACVAW-RCZSKKKRSA-N -1 1 456.608 4.975 20 0 JJADMM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc1)CCC2 ZINC001545935558 1065976435 /nfs/dbraw/zinc/97/64/35/1065976435.db2.gz LSRUIOBOTQLXCK-DEOSSOPVSA-N -1 1 450.560 4.612 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)cc1C ZINC001440797075 1065980046 /nfs/dbraw/zinc/98/00/46/1065980046.db2.gz NGRRDHQZRYQISW-UHFFFAOYSA-N -1 1 458.543 4.814 20 0 JJADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)cc1 ZINC001440832607 1065983075 /nfs/dbraw/zinc/98/30/75/1065983075.db2.gz LCMZWGUVSSBRIG-HNNXBMFYSA-N -1 1 459.365 4.992 20 0 JJADMM COc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C(C)C)cc1 ZINC001440835620 1065983169 /nfs/dbraw/zinc/98/31/69/1065983169.db2.gz UVSNTWBHESDBLM-HSZRJFAPSA-N -1 1 456.539 4.762 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(Cc3ccccc3)C(C)C)c2)cc1 ZINC001440980537 1065998895 /nfs/dbraw/zinc/99/88/95/1065998895.db2.gz MKNAMZSMSKTWRZ-UHFFFAOYSA-N -1 1 452.576 4.937 20 0 JJADMM CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001441151227 1066010584 /nfs/dbraw/zinc/01/05/84/1066010584.db2.gz LSYWTUIQCYJDOV-UHFFFAOYSA-N -1 1 458.967 4.812 20 0 JJADMM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(I)ccc1[O-] ZINC001441342914 1066030793 /nfs/dbraw/zinc/03/07/93/1066030793.db2.gz LONCECOEXIGYQD-UHFFFAOYSA-N -1 1 450.207 4.576 20 0 JJADMM Cc1ccc(NC(=O)Cc2c[nH]c3cnc(Cl)cc23)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441348220 1066031547 /nfs/dbraw/zinc/03/15/47/1066031547.db2.gz AOVJNADRIJWNLS-UHFFFAOYSA-N -1 1 454.939 4.507 20 0 JJADMM CSc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1F ZINC001441388090 1066036817 /nfs/dbraw/zinc/03/68/17/1066036817.db2.gz CODRTUCAVIZXCF-UHFFFAOYSA-N -1 1 452.479 4.879 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(Cl)ccc1OC(F)F ZINC001441400972 1066037853 /nfs/dbraw/zinc/03/78/53/1066037853.db2.gz DXIQPOXYEUBKTC-UHFFFAOYSA-N -1 1 452.866 4.995 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C(C)C)cc2)cc1 ZINC001441424481 1066040067 /nfs/dbraw/zinc/04/00/67/1066040067.db2.gz DFFBOJUOMUHWLG-UHFFFAOYSA-N -1 1 452.576 4.728 20 0 JJADMM Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001441602868 1066052914 /nfs/dbraw/zinc/05/29/14/1066052914.db2.gz LKKCTDMAFORGNX-UHFFFAOYSA-N -1 1 456.514 4.536 20 0 JJADMM CCOc1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)ccc1OC ZINC001441621474 1066054933 /nfs/dbraw/zinc/05/49/33/1066054933.db2.gz JLXAXDQRYNNXEV-UHFFFAOYSA-N -1 1 451.704 4.604 20 0 JJADMM CCOc1cc(C(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)cc(Cl)c1[O-] ZINC001441745104 1066067253 /nfs/dbraw/zinc/06/72/53/1066067253.db2.gz RCBNNSMRGLIWDH-UHFFFAOYSA-N -1 1 458.898 4.579 20 0 JJADMM O=C(Cc1cccnc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001441877941 1066076095 /nfs/dbraw/zinc/07/60/95/1066076095.db2.gz AIRGNDFPOVKNGA-UHFFFAOYSA-N -1 1 454.310 4.510 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c1)OCC(F)(F)F ZINC001442591331 1066141369 /nfs/dbraw/zinc/14/13/69/1066141369.db2.gz GJDRGJOFJOCYJH-UHFFFAOYSA-N -1 1 455.820 4.610 20 0 JJADMM CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1)NC(=O)OC(C)(C)C ZINC001545950140 1066141634 /nfs/dbraw/zinc/14/16/34/1066141634.db2.gz LOTCKMCVBIPFNJ-GHTZIAJQSA-N -1 1 499.656 4.900 20 0 JJADMM Cc1cc(C(F)(F)F)ccc1Cn1c(C(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001361007125 1066185863 /nfs/dbraw/zinc/18/58/63/1066185863.db2.gz FKZPEMAQXLCOKC-UHFFFAOYSA-N -1 1 491.480 4.672 20 0 JJADMM Cc1cccc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001361007095 1066185885 /nfs/dbraw/zinc/18/58/85/1066185885.db2.gz DWSFJMWTTASJKF-GOSISDBHSA-N -1 1 479.591 4.874 20 0 JJADMM CC1(C)C[C@@]1(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC001453940570 1066223377 /nfs/dbraw/zinc/22/33/77/1066223377.db2.gz BRSZMAPNZUBNAS-RUZDIDTESA-N -1 1 452.551 4.724 20 0 JJADMM CCC(CC)Oc1ccc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001442983243 1066249679 /nfs/dbraw/zinc/24/96/79/1066249679.db2.gz FMZBXTOIZDSTGM-UHFFFAOYSA-N -1 1 452.576 4.985 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001443025150 1066256336 /nfs/dbraw/zinc/25/63/36/1066256336.db2.gz YUGNHNXXDHLWRY-RBBKRZOGSA-N -1 1 456.514 4.528 20 0 JJADMM O=C(NCC1(c2c(F)cccc2F)CCCC1)c1ccc(I)cc1[O-] ZINC001443045320 1066258272 /nfs/dbraw/zinc/25/82/72/1066258272.db2.gz NRIMLPOTYQYORA-UHFFFAOYSA-N -1 1 457.258 4.517 20 0 JJADMM Cc1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ccc1NC(=O)OC(C)(C)C ZINC001454456464 1066284350 /nfs/dbraw/zinc/28/43/50/1066284350.db2.gz ZJXQPDHZHRQPOR-UHFFFAOYSA-N -1 1 459.974 4.659 20 0 JJADMM O=C(NCc1csc(C(F)(F)F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001454491685 1066292571 /nfs/dbraw/zinc/29/25/71/1066292571.db2.gz KUKOVLDZFMHXLJ-UHFFFAOYSA-N -1 1 458.458 4.637 20 0 JJADMM O=C(NCc1ccsc1C(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454535939 1066296990 /nfs/dbraw/zinc/29/69/90/1066296990.db2.gz CYYLUPCWJFHYOL-UHFFFAOYSA-N -1 1 458.458 4.637 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@]3(O)CCCC(C)(C)CC3)cc2)c1C ZINC001454689058 1066320031 /nfs/dbraw/zinc/32/00/31/1066320031.db2.gz INEFNVCIWVZEFK-RUZDIDTESA-N -1 1 458.624 4.555 20 0 JJADMM O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1cccc(F)c1[O-] ZINC001454751896 1066331339 /nfs/dbraw/zinc/33/13/39/1066331339.db2.gz AZIOEOKYXVGOHS-UHFFFAOYSA-N -1 1 458.902 4.815 20 0 JJADMM CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1C ZINC001443622942 1066339246 /nfs/dbraw/zinc/33/92/46/1066339246.db2.gz ZNZXDEIHQXASOC-UHFFFAOYSA-N -1 1 451.548 4.623 20 0 JJADMM O=C([N-]CC[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)o2)c2ccccc21)C(F)(F)F ZINC001454937613 1066343754 /nfs/dbraw/zinc/34/37/54/1066343754.db2.gz WNULBIONQAWBDR-SNVBAGLBSA-N -1 1 452.376 4.704 20 0 JJADMM Cc1cncc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001454984573 1066349873 /nfs/dbraw/zinc/34/98/73/1066349873.db2.gz AZYDSZYROTXGDX-JOCHJYFZSA-N -1 1 455.967 4.822 20 0 JJADMM COc1ccc(C2CC2)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001455077296 1066357657 /nfs/dbraw/zinc/35/76/57/1066357657.db2.gz IPDHLAHBMMQVHK-UHFFFAOYSA-N -1 1 458.486 4.904 20 0 JJADMM COC(=O)c1c(C)sc(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001455100438 1066360426 /nfs/dbraw/zinc/36/04/26/1066360426.db2.gz PPVUGGDHLUVINM-UHFFFAOYSA-N -1 1 458.561 4.513 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3c4ccccc4CC[C@@H]3F)c2)cc1F ZINC001455171922 1066367992 /nfs/dbraw/zinc/36/79/92/1066367992.db2.gz USLLLHBPESWAIH-GMAHTHKFSA-N -1 1 456.514 4.690 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[C@@H]3CCCCO3)cc2)c(C)c1C ZINC001546069805 1066368784 /nfs/dbraw/zinc/36/87/84/1066368784.db2.gz WBGRKEUYAPLTKV-QHCPKHFHSA-N -1 1 458.624 4.719 20 0 JJADMM C[C@@H]1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)C(C)(C)C1 ZINC001455237011 1066373988 /nfs/dbraw/zinc/37/39/88/1066373988.db2.gz LOAXUDOPNXVDAS-AWEZNQCLSA-N -1 1 451.386 4.511 20 0 JJADMM CCC[C@H](C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001455267480 1066377518 /nfs/dbraw/zinc/37/75/18/1066377518.db2.gz MYGWYCYTXHZPTH-HNNXBMFYSA-N -1 1 453.402 4.806 20 0 JJADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001455325578 1066383505 /nfs/dbraw/zinc/38/35/05/1066383505.db2.gz XWZHFQOMRKXQCX-UHFFFAOYSA-N -1 1 453.465 4.807 20 0 JJADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001443975318 1066389585 /nfs/dbraw/zinc/38/95/85/1066389585.db2.gz JRDKEYZVAIHFPB-HSZRJFAPSA-N -1 1 456.514 4.517 20 0 JJADMM Cc1c2ccccc2oc1CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001444022340 1066395241 /nfs/dbraw/zinc/39/52/41/1066395241.db2.gz YUYQHVZMDWRBNO-UHFFFAOYSA-N -1 1 456.470 4.750 20 0 JJADMM C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC001444061456 1066398322 /nfs/dbraw/zinc/39/83/22/1066398322.db2.gz HIIHYLBHHYBWGB-WZONZLPQSA-N -1 1 452.601 4.806 20 0 JJADMM C[C@@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@H]1c1ccccc1 ZINC001444070698 1066399614 /nfs/dbraw/zinc/39/96/14/1066399614.db2.gz PIKOSEDMABXYRB-SCLBCKFNSA-N -1 1 454.470 4.822 20 0 JJADMM C[C@@H]1SCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@@H]1c1ccccc1 ZINC001444070701 1066399638 /nfs/dbraw/zinc/39/96/38/1066399638.db2.gz PIKOSEDMABXYRB-UGSOOPFHSA-N -1 1 454.470 4.822 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCSC[C@H]3c3ccccc3)c2)cc1 ZINC001444138568 1066413135 /nfs/dbraw/zinc/41/31/35/1066413135.db2.gz PGLRFGMTPXMIJA-QHCPKHFHSA-N -1 1 452.601 4.726 20 0 JJADMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633094 1066417384 /nfs/dbraw/zinc/41/73/84/1066417384.db2.gz DWOLKGFYFWVXJE-GOSISDBHSA-N -1 1 456.955 4.763 20 0 JJADMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633094 1066417386 /nfs/dbraw/zinc/41/73/86/1066417386.db2.gz DWOLKGFYFWVXJE-GOSISDBHSA-N -1 1 456.955 4.763 20 0 JJADMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001455633094 1066417391 /nfs/dbraw/zinc/41/73/91/1066417391.db2.gz DWOLKGFYFWVXJE-GOSISDBHSA-N -1 1 456.955 4.763 20 0 JJADMM CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001444204282 1066429232 /nfs/dbraw/zinc/42/92/32/1066429232.db2.gz FRWQROVBWFZRLI-OWIHBLHKSA-N -1 1 458.349 4.923 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](CC3CC3)c3ccccc3)cc2)cc1 ZINC001444211566 1066429884 /nfs/dbraw/zinc/42/98/84/1066429884.db2.gz RPGDUZWJKIKYQG-XMMPIXPASA-N -1 1 450.560 4.767 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCC(C)(O)CC3)ccc2C)cc1 ZINC001455798489 1066432845 /nfs/dbraw/zinc/43/28/45/1066432845.db2.gz ACPHWOZDBPBWFY-UHFFFAOYSA-N -1 1 458.624 4.562 20 0 JJADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444247348 1066434495 /nfs/dbraw/zinc/43/44/95/1066434495.db2.gz KOFGFCUMAUKQDF-QHCPKHFHSA-N -1 1 452.551 4.782 20 0 JJADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC001455825672 1066438746 /nfs/dbraw/zinc/43/87/46/1066438746.db2.gz WANPINLZLNELBY-OSLDLMBLSA-N -1 1 453.391 4.816 20 0 JJADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001444318625 1066447965 /nfs/dbraw/zinc/44/79/65/1066447965.db2.gz IJTCOIXLDXMAGT-KSFYIVLOSA-N -1 1 458.967 4.647 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N=[S@@](C)(=O)C(C)C)cc1 ZINC001456047672 1066492358 /nfs/dbraw/zinc/49/23/58/1066492358.db2.gz DDLZGJWRVZULOP-LJAQVGFWSA-N -1 1 450.626 4.740 20 0 JJADMM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC001444803848 1066505957 /nfs/dbraw/zinc/50/59/57/1066505957.db2.gz CWBWPUFIDXNHKG-LJQANCHMSA-N -1 1 452.576 4.610 20 0 JJADMM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)cc1 ZINC001444803841 1066505978 /nfs/dbraw/zinc/50/59/78/1066505978.db2.gz CWBWPUFIDXNHKG-IBGZPJMESA-N -1 1 452.576 4.610 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](c3ccc(F)cc3F)C3CC3)cc2)cc1 ZINC001444980568 1066526088 /nfs/dbraw/zinc/52/60/88/1066526088.db2.gz XAMLBZVKUWQKFS-HSZRJFAPSA-N -1 1 456.514 4.955 20 0 JJADMM CC1(C)CCC[C@@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001445170984 1066542857 /nfs/dbraw/zinc/54/28/57/1066542857.db2.gz CBMLQBXVDVRDGS-SFHVURJKSA-N -1 1 451.386 4.558 20 0 JJADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445175641 1066543254 /nfs/dbraw/zinc/54/32/54/1066543254.db2.gz ILLQAFBDSWWJFP-IQMFZBJNSA-N -1 1 456.514 4.819 20 0 JJADMM CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001445234565 1066548543 /nfs/dbraw/zinc/54/85/43/1066548543.db2.gz CBZQOHIULMAKGC-UHFFFAOYSA-N -1 1 455.486 4.519 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](c3cccnc3)C(C)C)cc2)cc1C ZINC001445291420 1066554428 /nfs/dbraw/zinc/55/44/28/1066554428.db2.gz RQEXZMYAUQNBOJ-DEOSSOPVSA-N -1 1 451.592 4.669 20 0 JJADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001445441707 1066571880 /nfs/dbraw/zinc/57/18/80/1066571880.db2.gz RCGONEYQMPIKHK-MOPGFXCFSA-N -1 1 453.029 4.853 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])cc1 ZINC001445607235 1066594766 /nfs/dbraw/zinc/59/47/66/1066594766.db2.gz QBYKJAROQFSNFP-UHFFFAOYSA-N -1 1 450.491 4.784 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)c2)cc1 ZINC001445651703 1066598513 /nfs/dbraw/zinc/59/85/13/1066598513.db2.gz SMLZZOLJRCUWSW-UHFFFAOYSA-N -1 1 450.560 4.554 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CCc3ccc(O)cc3)cc2)cc1C ZINC001445951760 1066639473 /nfs/dbraw/zinc/63/94/73/1066639473.db2.gz NKBRHOCWAYBKAI-LJQANCHMSA-N -1 1 452.576 4.561 20 0 JJADMM CCc1oc2ccccc2c1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001446001397 1066644158 /nfs/dbraw/zinc/64/41/58/1066644158.db2.gz OTDYUEQLBDFKLS-UHFFFAOYSA-N -1 1 452.507 4.865 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCc2cscn2)cc1 ZINC001446050102 1066652084 /nfs/dbraw/zinc/65/20/84/1066652084.db2.gz KJQXILCQQWXCGK-UHFFFAOYSA-N -1 1 457.621 4.522 20 0 JJADMM CCSCc1ccnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)c1 ZINC001446184900 1066670540 /nfs/dbraw/zinc/67/05/40/1066670540.db2.gz KYFOBGFISUOXQF-UHFFFAOYSA-N -1 1 459.568 4.835 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CO[C@H]3c3ccccc3)c2)cc1C ZINC001456773901 1066686999 /nfs/dbraw/zinc/68/69/99/1066686999.db2.gz FXWZJPGCVCFUHU-PKTZIBPZSA-N -1 1 470.978 4.628 20 0 JJADMM CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986486 1066708090 /nfs/dbraw/zinc/70/80/90/1066708090.db2.gz GKRAYNCUDRGNEN-PZJWPPBQSA-N -1 1 493.574 4.608 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4c(F)cc(F)cc4C3)cc2)c1C ZINC001446537002 1066717742 /nfs/dbraw/zinc/71/77/42/1066717742.db2.gz MIROTURVSIITEW-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H](CC1CCCC1)c1ccccc1 ZINC001446540637 1066718433 /nfs/dbraw/zinc/71/84/33/1066718433.db2.gz LMUMJHJRUSTNEH-LJQANCHMSA-N -1 1 455.407 4.710 20 0 JJADMM Cc1cccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(C)(C)C ZINC001456924235 1066723442 /nfs/dbraw/zinc/72/34/42/1066723442.db2.gz KLQKJNUJINCJRE-QFIPXVFZSA-N -1 1 455.555 4.847 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCOc2ccccc2Cl)c1 ZINC001446614251 1066725779 /nfs/dbraw/zinc/72/57/79/1066725779.db2.gz ZCRQDMSGTHVRQB-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CC)c3ccc(F)cc3)cc2)cc1 ZINC001446656638 1066729863 /nfs/dbraw/zinc/72/98/63/1066729863.db2.gz MNFJHUDKCHVQCN-QHCPKHFHSA-N -1 1 456.539 4.906 20 0 JJADMM COc1ccc(Br)c2[nH]c(C(=O)Nc3cc(C)cc(Br)c3[O-])cc21 ZINC001446843345 1066747232 /nfs/dbraw/zinc/74/72/32/1066747232.db2.gz USTPMEPNVYOHPS-UHFFFAOYSA-N -1 1 454.118 4.968 20 0 JJADMM COc1cc2[n-]cc(C(=O)Nc3ccc(Br)c4ccccc34)c(=O)c2c(OC)c1 ZINC001446866826 1066750058 /nfs/dbraw/zinc/75/00/58/1066750058.db2.gz KTOQUXJGMAUHSA-UHFFFAOYSA-N -1 1 453.292 4.713 20 0 JJADMM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001446877049 1066751440 /nfs/dbraw/zinc/75/14/40/1066751440.db2.gz BLMJCAIQGGLHHU-UHFFFAOYSA-N -1 1 454.408 4.684 20 0 JJADMM O=C(N[C@H]1CC12CCCCC2)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001446978382 1066760986 /nfs/dbraw/zinc/76/09/86/1066760986.db2.gz FAAZJZASJHRFIB-IBGZPJMESA-N -1 1 452.498 4.959 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCc4sccc43)c2)cc1 ZINC001447343301 1066796496 /nfs/dbraw/zinc/79/64/96/1066796496.db2.gz IHVMOGNJIBICTG-NRFANRHFSA-N -1 1 456.589 4.755 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCc4sccc43)c2)cc1 ZINC001447343306 1066796553 /nfs/dbraw/zinc/79/65/53/1066796553.db2.gz IHVMOGNJIBICTG-OAQYLSRUSA-N -1 1 456.589 4.755 20 0 JJADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc2c(c1)CCCC2 ZINC001447450814 1066811106 /nfs/dbraw/zinc/81/11/06/1066811106.db2.gz NOVSTLRPHGFZRY-QGZVFWFLSA-N -1 1 452.551 4.996 20 0 JJADMM Cc1[nH]nc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c1-c1ccccc1 ZINC001457434778 1066831512 /nfs/dbraw/zinc/83/15/12/1066831512.db2.gz FHPHZDFJMQZCOK-UHFFFAOYSA-N -1 1 457.715 4.895 20 0 JJADMM COc1ccc2c(c1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc1)CCC2 ZINC001447684676 1066841053 /nfs/dbraw/zinc/84/10/53/1066841053.db2.gz DPGMOIRYJDAWDF-UHFFFAOYSA-N -1 1 454.523 4.685 20 0 JJADMM CCCc1c(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cnn1-c1ccc(C)cc1 ZINC001447691405 1066842910 /nfs/dbraw/zinc/84/29/10/1066842910.db2.gz XRYAWNRRDQVLGU-UHFFFAOYSA-N -1 1 459.506 4.640 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCc3cccc(C(F)F)c3)c([O-])c2)c1 ZINC001447719967 1066847134 /nfs/dbraw/zinc/84/71/34/1066847134.db2.gz QTUSEWOFUNXFER-UHFFFAOYSA-N -1 1 456.445 4.529 20 0 JJADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001457516863 1066848974 /nfs/dbraw/zinc/84/89/74/1066848974.db2.gz GKXSZCGHZXSWQJ-SCLBCKFNSA-N -1 1 458.552 4.802 20 0 JJADMM CO[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC[C@H]1C ZINC001447810089 1066863810 /nfs/dbraw/zinc/86/38/10/1066863810.db2.gz OGRURDRZWBVMGK-IQMFZBJNSA-N -1 1 458.624 4.527 20 0 JJADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457706593 1066900744 /nfs/dbraw/zinc/90/07/44/1066900744.db2.gz YDRIMLOVFJKXRO-QFIPXVFZSA-N -1 1 457.983 4.847 20 0 JJADMM C[C@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001448167714 1066906128 /nfs/dbraw/zinc/90/61/28/1066906128.db2.gz ZQELSFUISPWSFH-CQSZACIVSA-N -1 1 451.386 4.558 20 0 JJADMM O=C(NCCc1ccc2[nH]ccc2c1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001448195834 1066908918 /nfs/dbraw/zinc/90/89/18/1066908918.db2.gz AYONBZZJQBPZNX-UHFFFAOYSA-N -1 1 453.951 4.595 20 0 JJADMM O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1ccc2n[n-]c(=S)n2c1 ZINC001448408592 1066925091 /nfs/dbraw/zinc/92/50/91/1066925091.db2.gz AHZSEQVSSDYADY-UHFFFAOYSA-N -1 1 459.300 4.964 20 0 JJADMM Cc1ccc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457809122 1066925360 /nfs/dbraw/zinc/92/53/60/1066925360.db2.gz IBSBMGSDYUGDIX-UHFFFAOYSA-N -1 1 458.902 4.717 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)C3CCOCC3)c2)cc1 ZINC001448518179 1066935467 /nfs/dbraw/zinc/93/54/67/1066935467.db2.gz PNQKOVDKDYHKAV-UHFFFAOYSA-N -1 1 458.624 4.765 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001448553691 1066938815 /nfs/dbraw/zinc/93/88/15/1066938815.db2.gz MQRIIEKFQVEDTE-PGRDOPGGSA-N -1 1 458.942 4.874 20 0 JJADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC001457933745 1066943302 /nfs/dbraw/zinc/94/33/02/1066943302.db2.gz NQUCSRCSRUCADB-HFMPRLQTSA-N -1 1 452.595 4.640 20 0 JJADMM CSc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC001448684081 1066950456 /nfs/dbraw/zinc/95/04/56/1066950456.db2.gz HIQIBAXGTKBGOC-UHFFFAOYSA-N -1 1 454.617 4.799 20 0 JJADMM O=C(NCc1cccc2[nH]ccc21)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC001457980829 1066951110 /nfs/dbraw/zinc/95/11/10/1066951110.db2.gz JIJIGZOSOFIRCU-UHFFFAOYSA-N -1 1 457.914 4.691 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001458021632 1066957763 /nfs/dbraw/zinc/95/77/63/1066957763.db2.gz HTLAAQJAJFTRKQ-YWZLYKJASA-N -1 1 472.916 4.945 20 0 JJADMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961354 1066973084 /nfs/dbraw/zinc/97/30/84/1066973084.db2.gz BYZAEFFDEQKJAR-AVRDEDQJSA-N -1 1 456.514 4.832 20 0 JJADMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448961370 1066973216 /nfs/dbraw/zinc/97/32/16/1066973216.db2.gz BYZAEFFDEQKJAR-XMSQKQJNSA-N -1 1 456.514 4.832 20 0 JJADMM CCOc1cc(C)ccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001545720734 1066975296 /nfs/dbraw/zinc/97/52/96/1066975296.db2.gz CPCGMHYAYSAQNM-UHFFFAOYSA-N -1 1 452.576 4.741 20 0 JJADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203724 1066989247 /nfs/dbraw/zinc/98/92/47/1066989247.db2.gz MKXDREOJHJYXAC-MHECFPHRSA-N -1 1 452.551 4.779 20 0 JJADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001449203728 1066989284 /nfs/dbraw/zinc/98/92/84/1066989284.db2.gz MKXDREOJHJYXAC-UUOWRZLLSA-N -1 1 452.551 4.779 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc4nonc43)c2)cc1 ZINC001449313796 1066998516 /nfs/dbraw/zinc/99/85/16/1066998516.db2.gz LDMHYLJJDKIYTR-UHFFFAOYSA-N -1 1 450.520 4.619 20 0 JJADMM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001449577810 1067015759 /nfs/dbraw/zinc/01/57/59/1067015759.db2.gz FZOJJYNVJCKSMB-GOSISDBHSA-N -1 1 456.505 4.909 20 0 JJADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001449943266 1067038291 /nfs/dbraw/zinc/03/82/91/1067038291.db2.gz WEWVRIHCBGGHFX-CQSZACIVSA-N -1 1 458.139 4.705 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)N1CCC[C@H](c2ccccn2)C1 ZINC001450183033 1067057782 /nfs/dbraw/zinc/05/77/82/1067057782.db2.gz PLJOKGIRKKSVEA-KRWDZBQOSA-N -1 1 455.967 4.556 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC001450399375 1067075808 /nfs/dbraw/zinc/07/58/08/1067075808.db2.gz RLYSAEXEJJHQBZ-INIZCTEOSA-N -1 1 454.514 4.880 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC001450399380 1067076355 /nfs/dbraw/zinc/07/63/55/1067076355.db2.gz RLYSAEXEJJHQBZ-MRXNPFEDSA-N -1 1 454.514 4.880 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)cc1 ZINC001450405515 1067077191 /nfs/dbraw/zinc/07/71/91/1067077191.db2.gz GQVPDLZWPZBKLT-INIZCTEOSA-N -1 1 454.514 4.880 20 0 JJADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001450589278 1067092459 /nfs/dbraw/zinc/09/24/59/1067092459.db2.gz NGAHPZUMKGVWDM-CVEARBPZSA-N -1 1 452.523 4.596 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NCCC1(F)CCC1 ZINC001450671770 1067101483 /nfs/dbraw/zinc/10/14/83/1067101483.db2.gz ITOYLAKRNULFBG-UHFFFAOYSA-N -1 1 459.370 4.735 20 0 JJADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC001451039791 1067142015 /nfs/dbraw/zinc/14/20/15/1067142015.db2.gz IFRBFNDTXNXVMC-QGZVFWFLSA-N -1 1 456.539 4.743 20 0 JJADMM O=C(Nc1ncccc1OCc1ccccc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC001451178780 1067151956 /nfs/dbraw/zinc/15/19/56/1067151956.db2.gz WPXPURZPRZLDLE-UHFFFAOYSA-N -1 1 450.292 4.517 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1 ZINC001451319308 1067159266 /nfs/dbraw/zinc/15/92/66/1067159266.db2.gz PQOFBLKNDYZZMK-FCHUYYIVSA-N -1 1 458.624 4.816 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC4(CCCC4)[C@H]3C(C)C)cc2)cc1 ZINC001451384466 1067162533 /nfs/dbraw/zinc/16/25/33/1067162533.db2.gz IUOGWKHXXAVDMI-HSZRJFAPSA-N -1 1 456.608 4.927 20 0 JJADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1c1cccc(F)c1 ZINC001451387564 1067163121 /nfs/dbraw/zinc/16/31/21/1067163121.db2.gz GVOBINKAVYCVAX-ZWKOTPCHSA-N -1 1 468.447 4.683 20 0 JJADMM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1c([O-])cnc3c(Br)cccc31)C2 ZINC001451650460 1067183082 /nfs/dbraw/zinc/18/30/82/1067183082.db2.gz BTXZRZRHSSFTCL-UHFFFAOYSA-N -1 1 457.324 4.525 20 0 JJADMM O=C([N-]CCCSc1nnc(-c2ccccc2F)n1-c1ccc(Cl)cc1)C(F)(F)F ZINC001459003064 1067226749 /nfs/dbraw/zinc/22/67/49/1067226749.db2.gz VTTJKAGDNKOBKD-UHFFFAOYSA-N -1 1 458.868 4.888 20 0 JJADMM Cc1ccccc1C1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])CC1 ZINC001546105440 1067227603 /nfs/dbraw/zinc/22/76/03/1067227603.db2.gz ICBSIAOQHPBNDV-UHFFFAOYSA-N -1 1 456.951 4.825 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nc(C4CC4)c[nH]3)cc2)c(C)c1C ZINC001452555891 1067233778 /nfs/dbraw/zinc/23/37/78/1067233778.db2.gz RAFFKZCCRKKSRW-UHFFFAOYSA-N -1 1 452.580 4.882 20 0 JJADMM CC(C)(C)OCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001452956323 1067267505 /nfs/dbraw/zinc/26/75/05/1067267505.db2.gz CAGRBMIFYNYSQZ-UHFFFAOYSA-N -1 1 459.395 4.729 20 0 JJADMM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1-n1cccc1 ZINC001453133904 1067282461 /nfs/dbraw/zinc/28/24/61/1067282461.db2.gz UIKWBLHUBRTJLH-SFTDATJTSA-N -1 1 473.470 4.602 20 0 JJADMM CS(=O)(=O)c1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)cs2)cc1 ZINC001459292218 1067283983 /nfs/dbraw/zinc/28/39/83/1067283983.db2.gz OWGDLDMRMZSILN-UHFFFAOYSA-N -1 1 455.586 4.669 20 0 JJADMM COCC1(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CCCC1 ZINC001453339175 1067298981 /nfs/dbraw/zinc/29/89/81/1067298981.db2.gz UIQDIHXRHBXRFY-UHFFFAOYSA-N -1 1 458.624 4.782 20 0 JJADMM O=C(Nc1cncc2c1CCCC2)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001453380684 1067302520 /nfs/dbraw/zinc/30/25/20/1067302520.db2.gz NUOFLBSSBKMCBZ-UHFFFAOYSA-N -1 1 459.930 4.806 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@H](CCF)C3)c2)cc1C ZINC001453448386 1067306918 /nfs/dbraw/zinc/30/69/18/1067306918.db2.gz SNLQVGDPECFBQI-KRWDZBQOSA-N -1 1 452.979 4.969 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H]([C@@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532492 1067311221 /nfs/dbraw/zinc/31/12/21/1067311221.db2.gz BWLATMSYBSGHPQ-GGAORHGYSA-N -1 1 456.608 4.526 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@@H]4CCCCO4)C3)ccc2C)cc1 ZINC001453532494 1067311415 /nfs/dbraw/zinc/31/14/15/1067311415.db2.gz BWLATMSYBSGHPQ-GMAHTHKFSA-N -1 1 456.608 4.526 20 0 JJADMM O=C([N-][C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453677767 1067321109 /nfs/dbraw/zinc/32/11/09/1067321109.db2.gz CVQVGRFIYAUBMG-NHCUHLMSSA-N -1 1 462.487 4.602 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCOc3ccccc3[C@H]2C)cc1 ZINC001453737937 1067325143 /nfs/dbraw/zinc/32/51/43/1067325143.db2.gz MBYUJGWJGVMPNS-QGZVFWFLSA-N -1 1 454.523 4.531 20 0 JJADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3sc4cc(C)ccc4c3Cl)c2)n1 ZINC001459714552 1067392990 /nfs/dbraw/zinc/39/29/90/1067392990.db2.gz RMEKJMIWGFQFHJ-UHFFFAOYSA-N -1 1 454.939 4.755 20 0 JJADMM COC(=O)c1cc(F)cc([N-]C(=O)c2scc(Br)c2Br)c1F ZINC001459735203 1067399321 /nfs/dbraw/zinc/39/93/21/1067399321.db2.gz IBVOMTXFIQUGHF-UHFFFAOYSA-N -1 1 455.074 4.590 20 0 JJADMM COC[C@@H](NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1ccc(Cl)cc1 ZINC001460022823 1067532014 /nfs/dbraw/zinc/53/20/14/1067532014.db2.gz BBCIYTSDIGUKNX-LJQANCHMSA-N -1 1 455.967 4.791 20 0 JJADMM C[C@@H](CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001461024712 1067763969 /nfs/dbraw/zinc/76/39/69/1067763969.db2.gz GQRYXRDIKRNJLS-DZGCQCFKSA-N -1 1 458.402 4.835 20 0 JJADMM C[C@@H](CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001461024715 1067764032 /nfs/dbraw/zinc/76/40/32/1067764032.db2.gz GQRYXRDIKRNJLS-ZFWWWQNUSA-N -1 1 458.402 4.835 20 0 JJADMM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(Cl)c(Cl)cc1Br ZINC001462711744 1068139436 /nfs/dbraw/zinc/13/94/36/1068139436.db2.gz ZZYIVLKEHGAJRQ-UHFFFAOYSA-N -1 1 452.182 4.844 20 0 JJADMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)[n-]1 ZINC001462735234 1068148335 /nfs/dbraw/zinc/14/83/35/1068148335.db2.gz XQMGLOXUHFNIEP-UHFFFAOYSA-N -1 1 459.506 4.557 20 0 JJADMM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462888602 1068203915 /nfs/dbraw/zinc/20/39/15/1068203915.db2.gz UPKZEZQIZBYZKM-VIFPVBQESA-N -1 1 457.148 4.641 20 0 JJADMM C[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462901647 1068209413 /nfs/dbraw/zinc/20/94/13/1068209413.db2.gz NTPJLPWKXYPHNY-VIFPVBQESA-N -1 1 457.148 4.641 20 0 JJADMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)sc1Cl ZINC001462957249 1068229757 /nfs/dbraw/zinc/22/97/57/1068229757.db2.gz DIAGVEAZPDLMMC-RISCZKNCSA-N -1 1 454.770 4.502 20 0 JJADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCCCC2)c1F ZINC001463008869 1068249192 /nfs/dbraw/zinc/24/91/92/1068249192.db2.gz KEFHWMQPPLLYLY-UHFFFAOYSA-N -1 1 453.963 4.836 20 0 JJADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1C ZINC001463065583 1068273352 /nfs/dbraw/zinc/27/33/52/1068273352.db2.gz ICHKKJHJBWMMIH-LJQANCHMSA-N -1 1 451.903 4.543 20 0 JJADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1C ZINC001463065579 1068273398 /nfs/dbraw/zinc/27/33/98/1068273398.db2.gz ICHKKJHJBWMMIH-IBGZPJMESA-N -1 1 451.903 4.543 20 0 JJADMM O=S(=O)([N-][C@H](Cc1ccccc1)c1ccccc1F)c1c(F)cccc1Br ZINC001463121262 1068294440 /nfs/dbraw/zinc/29/44/40/1068294440.db2.gz DHMXEKWJXKKZFZ-LJQANCHMSA-N -1 1 452.320 4.990 20 0 JJADMM COc1cc(CC[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)ccc1C ZINC001463137618 1068299550 /nfs/dbraw/zinc/29/95/50/1068299550.db2.gz HCEVFNGBQKEKGV-UHFFFAOYSA-N -1 1 453.185 4.594 20 0 JJADMM O=S(=O)([N-]CC1(c2ccccc2Br)CC1)c1ccc(Cl)c(F)c1Cl ZINC001463155943 1068305931 /nfs/dbraw/zinc/30/59/31/1068305931.db2.gz TWQOZQGBWQDPBM-UHFFFAOYSA-N -1 1 453.160 4.905 20 0 JJADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1nc(C2CCCCC2)no1 ZINC001463183365 1068313061 /nfs/dbraw/zinc/31/30/61/1068313061.db2.gz CYEHGXXHEGLUER-AWEZNQCLSA-N -1 1 453.992 4.989 20 0 JJADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)Oc1cccc(F)c1 ZINC001463192130 1068315471 /nfs/dbraw/zinc/31/54/71/1068315471.db2.gz GBTCHZLMAWJABI-VIFPVBQESA-N -1 1 457.148 4.641 20 0 JJADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252670 1068335405 /nfs/dbraw/zinc/33/54/05/1068335405.db2.gz PMCIOHKQRZKHSA-DTWKUNHWSA-N -1 1 452.695 4.889 20 0 JJADMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463293081 1068346882 /nfs/dbraw/zinc/34/68/82/1068346882.db2.gz MCWKKDZDEOGYNE-BONVTDFDSA-N -1 1 453.185 4.546 20 0 JJADMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463293091 1068347226 /nfs/dbraw/zinc/34/72/26/1068347226.db2.gz MCWKKDZDEOGYNE-ZUZCIYMTSA-N -1 1 453.185 4.546 20 0 JJADMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294751 1068348306 /nfs/dbraw/zinc/34/83/06/1068348306.db2.gz SVCOIXPZDLGEIB-GXFFZTMASA-N -1 1 453.185 4.546 20 0 JJADMM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c(C)c1Cl ZINC001463341842 1068362919 /nfs/dbraw/zinc/36/29/19/1068362919.db2.gz HYPAGNZTZYEXEN-LLVKDONJSA-N -1 1 459.870 4.608 20 0 JJADMM O=S(=O)([N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c(Cl)cccc1C(F)(F)F ZINC001463429869 1068394741 /nfs/dbraw/zinc/39/47/41/1068394741.db2.gz BYCHZNAAJIBOBC-SNVBAGLBSA-N -1 1 457.276 4.709 20 0 JJADMM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001463470468 1068412285 /nfs/dbraw/zinc/41/22/85/1068412285.db2.gz XEWWSTVFPYWANL-YGRLFVJLSA-N -1 1 479.446 4.666 20 0 JJADMM Cc1ccc(NC(=O)CSCC(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463562953 1068445003 /nfs/dbraw/zinc/44/50/03/1068445003.db2.gz GFCXNFRTQJJOED-UHFFFAOYSA-N -1 1 452.907 4.683 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccc(C(C)C)cc3)cc2)cc1 ZINC001463573703 1068451886 /nfs/dbraw/zinc/45/18/86/1068451886.db2.gz QPHAQCVPDROUMS-UHFFFAOYSA-N -1 1 452.576 4.592 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([O-])c(F)c1 ZINC001463626558 1068472857 /nfs/dbraw/zinc/47/28/57/1068472857.db2.gz PZIGSHFPHPTXIG-UHFFFAOYSA-N -1 1 454.401 4.603 20 0 JJADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC001463656367 1068484327 /nfs/dbraw/zinc/48/43/27/1068484327.db2.gz PETWPAFIOUYUGX-NSHDSACASA-N -1 1 459.467 4.853 20 0 JJADMM C[C@@H](OCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccccc1 ZINC001463779366 1068522156 /nfs/dbraw/zinc/52/21/56/1068522156.db2.gz SZWGGQSEVMJZDU-MRXNPFEDSA-N -1 1 454.473 4.820 20 0 JJADMM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001463836004 1068541656 /nfs/dbraw/zinc/54/16/56/1068541656.db2.gz OBYIDIRWFOOPEH-UHFFFAOYSA-N -1 1 451.479 4.842 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NOCc2ccccc2)c1 ZINC001463933534 1068569766 /nfs/dbraw/zinc/56/97/66/1068569766.db2.gz CEPVZHAAKOKYAT-UHFFFAOYSA-N -1 1 452.576 4.955 20 0 JJADMM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(I)c([O-])c1 ZINC001464003870 1068585980 /nfs/dbraw/zinc/58/59/80/1068585980.db2.gz LBHJZVHKOZJOBI-KRWDZBQOSA-N -1 1 453.276 4.717 20 0 JJADMM CC(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)c([O-])c1 ZINC001464097179 1068614014 /nfs/dbraw/zinc/61/40/14/1068614014.db2.gz PVEFLILXCNIWRK-UHFFFAOYSA-N -1 1 457.574 4.659 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1NCc1cccnc1 ZINC001464156386 1068636401 /nfs/dbraw/zinc/63/64/01/1068636401.db2.gz BFEIWHLOXRCOPV-UHFFFAOYSA-N -1 1 458.543 4.747 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)c2cccnc12 ZINC001464163735 1068639662 /nfs/dbraw/zinc/63/96/62/1068639662.db2.gz KTDXCQNLHPSXLZ-UHFFFAOYSA-N -1 1 457.433 4.705 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC001464178013 1068644331 /nfs/dbraw/zinc/64/43/31/1068644331.db2.gz BEAUETWMFVBSLR-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM CCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC001464247828 1068674648 /nfs/dbraw/zinc/67/46/48/1068674648.db2.gz AJJCSLKJDGLGRD-UHFFFAOYSA-N -1 1 458.967 4.860 20 0 JJADMM CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)c1cc(C)ccc1C ZINC001464266103 1068681983 /nfs/dbraw/zinc/68/19/83/1068681983.db2.gz FQYAPYICVMBBIY-IQGLISFBSA-N -1 1 459.431 4.508 20 0 JJADMM Nc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001464350235 1068715475 /nfs/dbraw/zinc/71/54/75/1068715475.db2.gz NBQCYDYBNKTMBY-UHFFFAOYSA-N -1 1 454.310 4.768 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COc3cccc(C)c3)c2)c1 ZINC001464375906 1068723457 /nfs/dbraw/zinc/72/34/57/1068723457.db2.gz RBJLEQFKBZHGDJ-HXUWFJFHSA-N -1 1 452.576 4.610 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)COc3cccc(C)c3)c2)c1 ZINC001464375903 1068723631 /nfs/dbraw/zinc/72/36/31/1068723631.db2.gz RBJLEQFKBZHGDJ-FQEVSTJZSA-N -1 1 452.576 4.610 20 0 JJADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1nc2ccc(Br)cn2c1F ZINC001464460187 1068754282 /nfs/dbraw/zinc/75/42/82/1068754282.db2.gz GCHNNORAFBRZSG-UHFFFAOYSA-N -1 1 452.696 4.660 20 0 JJADMM O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001464724466 1068838951 /nfs/dbraw/zinc/83/89/51/1068838951.db2.gz VDECKDAPDJVHBQ-UHFFFAOYSA-N -1 1 454.514 4.862 20 0 JJADMM COc1ccc([C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c2ccccc2Cl)cc1 ZINC001435239145 1064618993 /nfs/dbraw/zinc/61/89/93/1064618993.db2.gz FTXOWIPDSNRPDJ-OAQYLSRUSA-N -1 1 457.983 4.713 20 0 JJADMM CC(C)c1nc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nn1-c1ccccc1F ZINC001435344141 1064712884 /nfs/dbraw/zinc/71/28/84/1064712884.db2.gz WPGQFJGVBAKFRT-UHFFFAOYSA-N -1 1 456.934 4.878 20 0 JJADMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[nH]1 ZINC001435887210 1065044941 /nfs/dbraw/zinc/04/49/41/1065044941.db2.gz PFLICXDMCYYHDC-UHFFFAOYSA-N -1 1 450.326 4.674 20 0 JJADMM C[C@H](CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001436913349 1065469587 /nfs/dbraw/zinc/46/95/87/1065469587.db2.gz PWZLXCGODOVRFD-CXAGYDPISA-N -1 1 458.402 4.835 20 0 JJADMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001437475245 1065559234 /nfs/dbraw/zinc/55/92/34/1065559234.db2.gz MOOBPEOJMDVZBE-JMMIECQRSA-N -1 1 472.523 4.563 20 0 JJADMM C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001360579243 1065575642 /nfs/dbraw/zinc/57/56/42/1065575642.db2.gz QFXBKHRAAZZWQK-QGZVFWFLSA-N -1 1 491.583 4.629 20 0 JJADMM C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001360579241 1065575670 /nfs/dbraw/zinc/57/56/70/1065575670.db2.gz QFXBKHRAAZZWQK-KRWDZBQOSA-N -1 1 491.583 4.629 20 0 JJADMM Cc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440379800 1065934696 /nfs/dbraw/zinc/93/46/96/1065934696.db2.gz BBQHFULEHLUYBL-UHFFFAOYSA-N -1 1 454.939 4.588 20 0 JJADMM Cc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440387483 1065936615 /nfs/dbraw/zinc/93/66/15/1065936615.db2.gz QFAUMHZETSZIIH-UHFFFAOYSA-N -1 1 457.983 4.520 20 0 JJADMM Cc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440387489 1065936888 /nfs/dbraw/zinc/93/68/88/1065936888.db2.gz QFESBIJVTBTIGV-UHFFFAOYSA-N -1 1 450.894 4.909 20 0 JJADMM Cc1cccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1 ZINC001440410375 1065939039 /nfs/dbraw/zinc/93/90/39/1065939039.db2.gz BPAZHTKWNAWNER-UHFFFAOYSA-N -1 1 459.365 4.740 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001440415716 1065939520 /nfs/dbraw/zinc/93/95/20/1065939520.db2.gz YOOJHBLQFMJILO-IAGOWNOFSA-N -1 1 481.412 4.879 20 0 JJADMM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440498516 1065944606 /nfs/dbraw/zinc/94/46/06/1065944606.db2.gz KOAZSGROSXKDOJ-MWTRTKDXSA-N -1 1 458.967 4.634 20 0 JJADMM CCCC[C@H](O)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001440515994 1065946302 /nfs/dbraw/zinc/94/63/02/1065946302.db2.gz IVGYRWMBPYVVSQ-SFHVURJKSA-N -1 1 458.502 4.776 20 0 JJADMM C[C@H]1CC[C@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)O1 ZINC001440520882 1065946832 /nfs/dbraw/zinc/94/68/32/1065946832.db2.gz LFAVEMOTTFQEKA-KBXCAEBGSA-N -1 1 456.486 4.792 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)cc1 ZINC001440557971 1065949117 /nfs/dbraw/zinc/94/91/17/1065949117.db2.gz OWJYWVQDPDKEME-UHFFFAOYSA-N -1 1 458.967 4.812 20 0 JJADMM CCCOc1nc(C)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC001440578065 1065951935 /nfs/dbraw/zinc/95/19/35/1065951935.db2.gz XSCXBNCYHQUKCS-UHFFFAOYSA-N -1 1 453.564 4.849 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2)cc1 ZINC001440681016 1065964719 /nfs/dbraw/zinc/96/47/19/1065964719.db2.gz HCJPBEPGJQKCLP-NRFANRHFSA-N -1 1 456.564 4.902 20 0 JJADMM COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(I)cc2[O-])cc1 ZINC001440752524 1065975879 /nfs/dbraw/zinc/97/58/79/1065975879.db2.gz DXIXAWGRTRIWCT-GOSISDBHSA-N -1 1 451.304 4.763 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCOc3ccc(F)cc3)c2)c1 ZINC001440928669 1065995334 /nfs/dbraw/zinc/99/53/34/1065995334.db2.gz NWIHHVURFDIOCC-UHFFFAOYSA-N -1 1 456.539 4.524 20 0 JJADMM CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)cc1 ZINC001440937459 1065995892 /nfs/dbraw/zinc/99/58/92/1065995892.db2.gz HLCSVIYCUXQYSJ-UHFFFAOYSA-N -1 1 459.518 4.864 20 0 JJADMM COc1ccc(/C=C(/C)C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC001441347601 1066031361 /nfs/dbraw/zinc/03/13/61/1066031361.db2.gz MJXQOHHWWUXEHR-LGMDPLHJSA-N -1 1 454.523 4.986 20 0 JJADMM COc1ccc(/C(C)=C/C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001441388132 1066037023 /nfs/dbraw/zinc/03/70/23/1066037023.db2.gz DBBAPGACLQOREH-FYWRMAATSA-N -1 1 458.486 4.816 20 0 JJADMM CCCOCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001441631930 1066056660 /nfs/dbraw/zinc/05/66/60/1066056660.db2.gz QLZZYMURSKJCAF-UHFFFAOYSA-N -1 1 452.576 4.652 20 0 JJADMM O=C(NCc1ccccc1OCc1ccccc1)c1ccc(I)cc1[O-] ZINC001441629078 1066056836 /nfs/dbraw/zinc/05/68/36/1066056836.db2.gz ZPONMXPKJCFVTJ-UHFFFAOYSA-N -1 1 459.283 4.506 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC001441741468 1066065971 /nfs/dbraw/zinc/06/59/71/1066065971.db2.gz LCSHDRLDJULMHK-HSZRJFAPSA-N -1 1 452.551 4.864 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3ccc(-c4cnco4)cc3)c2)c1 ZINC001441773107 1066069103 /nfs/dbraw/zinc/06/91/03/1066069103.db2.gz MLRSNHPYCOAXNN-UHFFFAOYSA-N -1 1 459.458 4.569 20 0 JJADMM CCC(CC)c1nnc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)s1 ZINC001442057822 1066088221 /nfs/dbraw/zinc/08/82/21/1066088221.db2.gz GLHGGXVBMHUKCW-UHFFFAOYSA-N -1 1 455.765 4.951 20 0 JJADMM CCSC1(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001453945997 1066223867 /nfs/dbraw/zinc/22/38/67/1066223867.db2.gz IDQCHUUESLTKCA-UHFFFAOYSA-N -1 1 459.420 4.810 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC[C@@H]3CCCOC3)ccc2C)cc1 ZINC001453977353 1066228561 /nfs/dbraw/zinc/22/85/61/1066228561.db2.gz VKCHULHZRFGXHM-NRFANRHFSA-N -1 1 458.624 4.685 20 0 JJADMM CN(C[C@H]1CC1(C)C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001454062689 1066241923 /nfs/dbraw/zinc/24/19/23/1066241923.db2.gz PUQFQUMLNSTGAV-OAHLLOKOSA-N -1 1 455.407 4.841 20 0 JJADMM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001454256502 1066258246 /nfs/dbraw/zinc/25/82/46/1066258246.db2.gz UZJCKJFCHWFFEQ-QGZVFWFLSA-N -1 1 457.321 4.804 20 0 JJADMM COc1cccc(Cn2c(NC(=O)c3cc(Br)ccc3[O-])nc3ccccc32)c1 ZINC001443052936 1066259077 /nfs/dbraw/zinc/25/90/77/1066259077.db2.gz QHQXTNISJXEBNF-UHFFFAOYSA-N -1 1 452.308 4.814 20 0 JJADMM O=C(Nc1nc(COc2ccccc2)cs1)c1c([O-])cnc2c(Br)cccc21 ZINC001454325114 1066269539 /nfs/dbraw/zinc/26/95/39/1066269539.db2.gz DIYGXPRUSXWYNA-UHFFFAOYSA-N -1 1 456.321 4.991 20 0 JJADMM O=C(c1ccc2ccc(Br)cc2c1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001454455964 1066284165 /nfs/dbraw/zinc/28/41/65/1066284165.db2.gz HZSQLCGZZLYHHD-UHFFFAOYSA-N -1 1 459.771 4.919 20 0 JJADMM CCCCN(CCOC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001443348353 1066297836 /nfs/dbraw/zinc/29/78/36/1066297836.db2.gz SIRHXPYONOULKQ-UHFFFAOYSA-N -1 1 459.395 4.683 20 0 JJADMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc([O-])c2F)c2ccc(Br)cc21 ZINC001454595576 1066307403 /nfs/dbraw/zinc/30/74/03/1066307403.db2.gz QUOGDGKIUHASQU-CYBMUJFWSA-N -1 1 450.304 4.770 20 0 JJADMM COC(=O)c1ccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)c2ccccc12 ZINC001454635702 1066313239 /nfs/dbraw/zinc/31/32/39/1066313239.db2.gz VYDDLBJFEJCDFY-UHFFFAOYSA-N -1 1 451.276 4.895 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@]3(O)CCCC(C)(C)CC3)c2)c1 ZINC001454692824 1066320401 /nfs/dbraw/zinc/32/04/01/1066320401.db2.gz YMPDSALBORQQIU-RUZDIDTESA-N -1 1 458.624 4.555 20 0 JJADMM COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2[O-])c(F)c1 ZINC001454718801 1066325884 /nfs/dbraw/zinc/32/58/84/1066325884.db2.gz IVQYUVXZIJACRV-UHFFFAOYSA-N -1 1 459.271 4.807 20 0 JJADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 ZINC001443582995 1066332616 /nfs/dbraw/zinc/33/26/16/1066332616.db2.gz GZPSIMJAGAKILT-IBGZPJMESA-N -1 1 456.587 4.733 20 0 JJADMM Cc1nc(-c2ccccc2)c(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)s1 ZINC001454919261 1066342195 /nfs/dbraw/zinc/34/21/95/1066342195.db2.gz JPTCGVHWCGIFSJ-INIZCTEOSA-N -1 1 459.493 4.931 20 0 JJADMM CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001443698922 1066352552 /nfs/dbraw/zinc/35/25/52/1066352552.db2.gz JJBPJDDNEXZSQR-LJQANCHMSA-N -1 1 451.792 4.646 20 0 JJADMM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)c1cc2cnccc2o1 ZINC001455114305 1066363123 /nfs/dbraw/zinc/36/31/23/1066363123.db2.gz ZPHRIHBVLDXTJB-CQSZACIVSA-N -1 1 455.923 4.773 20 0 JJADMM COc1ccccc1[C@H](NC(=O)c1cc(I)ccc1[O-])c1ccccc1 ZINC001443762172 1066363641 /nfs/dbraw/zinc/36/36/41/1066363641.db2.gz KIWUECSXOGICLB-HXUWFJFHSA-N -1 1 459.283 4.525 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3c4ccccc4CC[C@H]3F)c2)cc1F ZINC001455171911 1066367941 /nfs/dbraw/zinc/36/79/41/1066367941.db2.gz USLLLHBPESWAIH-FYYLOGMGSA-N -1 1 456.514 4.690 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3c4ccccc4CC[C@H]3F)c2)cc1F ZINC001455171917 1066368150 /nfs/dbraw/zinc/36/81/50/1066368150.db2.gz USLLLHBPESWAIH-GGAORHGYSA-N -1 1 456.514 4.690 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(CC(C)(C)C)nn3C)ccc2C)cc1 ZINC001443790960 1066369015 /nfs/dbraw/zinc/36/90/15/1066369015.db2.gz ORFUEWUGOGKSRQ-UHFFFAOYSA-N -1 1 454.596 4.679 20 0 JJADMM CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001443947874 1066387196 /nfs/dbraw/zinc/38/71/96/1066387196.db2.gz ORICRMPVECQVHU-AWEZNQCLSA-N -1 1 454.445 4.605 20 0 JJADMM COCC(C)(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1Cl ZINC001455475946 1066395914 /nfs/dbraw/zinc/39/59/14/1066395914.db2.gz IVPRBIHUVUUYPM-UHFFFAOYSA-N -1 1 453.004 4.550 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(OC(C)C)CCC3)c2)c1 ZINC001455474277 1066396020 /nfs/dbraw/zinc/39/60/20/1066396020.db2.gz VIHQDMRZDGTORS-UHFFFAOYSA-N -1 1 450.988 4.527 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3ccc(Cl)cc3[nH]2)ccc1F ZINC001455482758 1066396716 /nfs/dbraw/zinc/39/67/16/1066396716.db2.gz YFRCHDXRLQETPB-UHFFFAOYSA-N -1 1 458.902 4.717 20 0 JJADMM C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC001444061378 1066398272 /nfs/dbraw/zinc/39/82/72/1066398272.db2.gz HIIHYLBHHYBWGB-FDDCHVKYSA-N -1 1 452.601 4.806 20 0 JJADMM Cc1ccc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001455534138 1066406648 /nfs/dbraw/zinc/40/66/48/1066406648.db2.gz VVUVAUUWAUPRDM-IFMALSPDSA-N -1 1 474.504 4.714 20 0 JJADMM COc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1C ZINC001455545030 1066408738 /nfs/dbraw/zinc/40/87/38/1066408738.db2.gz GXNWUQYZSVCZSU-IBGZPJMESA-N -1 1 452.576 4.912 20 0 JJADMM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1c1ccccc1 ZINC001455646276 1066419091 /nfs/dbraw/zinc/41/90/91/1066419091.db2.gz CZDBPMXKJAAESW-QMHKHESXSA-N -1 1 456.514 4.989 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](c3ncccc3C)C(C)C)cc2)c1 ZINC001444212368 1066430093 /nfs/dbraw/zinc/43/00/93/1066430093.db2.gz UAFCPZYEFRHUNO-QHCPKHFHSA-N -1 1 451.592 4.935 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC[C@H]3CCOC3)cc2)c1C ZINC001546076270 1066432876 /nfs/dbraw/zinc/43/28/76/1066432876.db2.gz JZGLJEZDTGYRRW-IBGZPJMESA-N -1 1 458.624 4.558 20 0 JJADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001444248858 1066434383 /nfs/dbraw/zinc/43/43/83/1066434383.db2.gz PAKNFPVVLCHJTO-HSZRJFAPSA-N -1 1 452.551 4.782 20 0 JJADMM C[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C(C)(C)C ZINC001455853983 1066442121 /nfs/dbraw/zinc/44/21/21/1066442121.db2.gz MHYOWIAMWMPXRO-CQSZACIVSA-N -1 1 453.402 4.662 20 0 JJADMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001455863784 1066442719 /nfs/dbraw/zinc/44/27/19/1066442719.db2.gz CGLZLEHZGYMRQB-XOBRGWDASA-N -1 1 474.451 4.570 20 0 JJADMM O=C(Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c([O-])c1)c1cc(F)cc(F)c1 ZINC001455874711 1066444775 /nfs/dbraw/zinc/44/47/75/1066444775.db2.gz VNIZJZVXRXNAEA-ZSEKCTLFSA-N -1 1 454.395 4.727 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccon3)cc2)c1C ZINC001444422777 1066461187 /nfs/dbraw/zinc/46/11/87/1066461187.db2.gz JORPSTPJRCPKFS-UHFFFAOYSA-N -1 1 455.580 4.662 20 0 JJADMM COc1ccc(Br)cc1-c1ncc(C(=O)[N-]c2nc(C(C)(C)C)ns2)s1 ZINC001455965444 1066462425 /nfs/dbraw/zinc/46/24/25/1066462425.db2.gz MRWVBKWHJBEFTO-UHFFFAOYSA-N -1 1 453.387 4.983 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)COCC3CCCCC3)cc2)cc1C ZINC001456024442 1066480611 /nfs/dbraw/zinc/48/06/11/1066480611.db2.gz KDRHTFTWJGBGLK-HXUWFJFHSA-N -1 1 458.624 4.819 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC001444694654 1066493920 /nfs/dbraw/zinc/49/39/20/1066493920.db2.gz PGYKKSVYHKINAR-KRWDZBQOSA-N -1 1 458.967 4.647 20 0 JJADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC001444800132 1066505640 /nfs/dbraw/zinc/50/56/40/1066505640.db2.gz CZBPRMRXNXQMGY-UHFFFAOYSA-N -1 1 454.567 4.985 20 0 JJADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001444807176 1066506501 /nfs/dbraw/zinc/50/65/01/1066506501.db2.gz SUQCZUMGTKCIMH-MWTRTKDXSA-N -1 1 456.514 4.989 20 0 JJADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001444807172 1066506561 /nfs/dbraw/zinc/50/65/61/1066506561.db2.gz SUQCZUMGTKCIMH-HJPURHCSSA-N -1 1 456.514 4.989 20 0 JJADMM Cc1cnc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)C2CC2)s1 ZINC001444882765 1066515774 /nfs/dbraw/zinc/51/57/74/1066515774.db2.gz AOUKFPZWNMZRMT-NRFANRHFSA-N -1 1 455.605 4.750 20 0 JJADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC001444878217 1066515991 /nfs/dbraw/zinc/51/59/91/1066515991.db2.gz DORMRAMRVHJEKC-QGZVFWFLSA-N -1 1 458.530 4.743 20 0 JJADMM Cc1cnc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)C2CC2)s1 ZINC001444896409 1066516780 /nfs/dbraw/zinc/51/67/80/1066516780.db2.gz VLWWAURBMOCCLY-OAQYLSRUSA-N -1 1 455.605 4.750 20 0 JJADMM Cc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001445371548 1066564056 /nfs/dbraw/zinc/56/40/56/1066564056.db2.gz SJPHWWVEOFBDPB-IBGZPJMESA-N -1 1 458.477 4.786 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C3CCCC3)C(F)(F)F)c2)c1 ZINC001445375143 1066564519 /nfs/dbraw/zinc/56/45/19/1066564519.db2.gz ZHMFUOPVRAPOES-HXUWFJFHSA-N -1 1 454.514 4.955 20 0 JJADMM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC001445719452 1066611204 /nfs/dbraw/zinc/61/12/04/1066611204.db2.gz LYBNUVNZRSCHGP-QHCPKHFHSA-N -1 1 450.560 4.530 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Oc3ccc(NC(=O)C(C)C)cc3)cc2)cc1 ZINC001445945562 1066638902 /nfs/dbraw/zinc/63/89/02/1066638902.db2.gz MKISSPMOXVHSBD-UHFFFAOYSA-N -1 1 452.532 4.610 20 0 JJADMM CC1(C)Cc2cc(NC(=O)Cc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)ccc2O1 ZINC001445995341 1066642510 /nfs/dbraw/zinc/64/25/10/1066642510.db2.gz BOGVCYVRQPDMJS-UHFFFAOYSA-N -1 1 454.523 4.521 20 0 JJADMM CCc1ccc([C@H](C)CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001445996532 1066643290 /nfs/dbraw/zinc/64/32/90/1066643290.db2.gz MVNJXAQUCDWTEV-GOSISDBHSA-N -1 1 454.567 4.999 20 0 JJADMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC001446043313 1066650577 /nfs/dbraw/zinc/65/05/77/1066650577.db2.gz CRWAJHKASLEHFL-NSHDSACASA-N -1 1 454.280 4.555 20 0 JJADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001446066920 1066653895 /nfs/dbraw/zinc/65/38/95/1066653895.db2.gz KPTPDYCUGXIITM-GFCCVEGCSA-N -1 1 458.411 4.960 20 0 JJADMM O=C(c1ccc(I)c([O-])c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC001446071913 1066655504 /nfs/dbraw/zinc/65/55/04/1066655504.db2.gz QIEVWASYYSKENV-UHFFFAOYSA-N -1 1 453.295 4.763 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC001446384073 1066699857 /nfs/dbraw/zinc/69/98/57/1066699857.db2.gz DBWUGXXCEIYEJZ-UHFFFAOYSA-N -1 1 456.514 4.852 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCc4cc(Cl)ccc43)c2)c1 ZINC001456869853 1066711242 /nfs/dbraw/zinc/71/12/42/1066711242.db2.gz ZQYYNVJCPQACEN-UHFFFAOYSA-N -1 1 452.894 4.518 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1coc2cc(O)ccc21 ZINC001446705420 1066732481 /nfs/dbraw/zinc/73/24/81/1066732481.db2.gz CIJYEDVRUQFMEQ-UHFFFAOYSA-N -1 1 458.879 4.551 20 0 JJADMM Cc1cc(C)c(CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])s1 ZINC001446712084 1066733451 /nfs/dbraw/zinc/73/34/51/1066733451.db2.gz OOTXQJSKEKYGGS-UHFFFAOYSA-N -1 1 450.969 4.706 20 0 JJADMM CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001446809522 1066743453 /nfs/dbraw/zinc/74/34/53/1066743453.db2.gz KACOWKQUKJZPIC-SFHVURJKSA-N -1 1 450.505 4.764 20 0 JJADMM O=C(NCCC1CCC(F)(F)CC1)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001457016229 1066744003 /nfs/dbraw/zinc/74/40/03/1066744003.db2.gz NBFXXXLCWBTRTR-UHFFFAOYSA-N -1 1 458.477 4.711 20 0 JJADMM CC(C)(C)OC(=O)c1cccc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)c1 ZINC001446838123 1066746928 /nfs/dbraw/zinc/74/69/28/1066746928.db2.gz RAXQGPZNPHOQCC-UHFFFAOYSA-N -1 1 457.324 4.588 20 0 JJADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC001446844278 1066747342 /nfs/dbraw/zinc/74/73/42/1066747342.db2.gz ZDAVBVHMEYTIRO-UHFFFAOYSA-N -1 1 451.276 4.516 20 0 JJADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001446978386 1066760756 /nfs/dbraw/zinc/76/07/56/1066760756.db2.gz FAAZJZASJHRFIB-LJQANCHMSA-N -1 1 452.498 4.959 20 0 JJADMM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989579 1066762627 /nfs/dbraw/zinc/76/26/27/1066762627.db2.gz VDZIVBFJCBGINY-ZJSXRUAMSA-N -1 1 458.624 4.818 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Oc3ccc(CC)cc3OC)cc2)cc1 ZINC001447102724 1066773298 /nfs/dbraw/zinc/77/32/98/1066773298.db2.gz LMNLPFKWIKTBMC-UHFFFAOYSA-N -1 1 455.532 4.676 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(OC(C)C)c3)cc2)cc1 ZINC001447186607 1066780902 /nfs/dbraw/zinc/78/09/02/1066780902.db2.gz NFLPJKXGXZVFTQ-UHFFFAOYSA-N -1 1 452.576 4.855 20 0 JJADMM CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC001457287101 1066804420 /nfs/dbraw/zinc/80/44/20/1066804420.db2.gz XXTTWTJMJDYJMT-CQSZACIVSA-N -1 1 457.372 4.674 20 0 JJADMM O=C(NCCCc1ccsc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001457315289 1066808831 /nfs/dbraw/zinc/80/88/31/1066808831.db2.gz YATVFUKWRIIOMG-UHFFFAOYSA-N -1 1 452.960 4.704 20 0 JJADMM C[C@H](Oc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445334 1066809871 /nfs/dbraw/zinc/80/98/71/1066809871.db2.gz HOTHRZGZDBZMJG-LHSJRXKWSA-N -1 1 451.889 4.652 20 0 JJADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001457516857 1066848870 /nfs/dbraw/zinc/84/88/70/1066848870.db2.gz GKXSZCGHZXSWQJ-ACJLOTCBSA-N -1 1 458.552 4.802 20 0 JJADMM Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(Br)c([O-])c2)cc1 ZINC001447735383 1066849534 /nfs/dbraw/zinc/84/95/34/1066849534.db2.gz LNQJZRXIGVGDAC-UHFFFAOYSA-N -1 1 451.324 4.817 20 0 JJADMM CCSc1cc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)ccn1 ZINC001448164697 1066905709 /nfs/dbraw/zinc/90/57/09/1066905709.db2.gz NKKLLJXWCCTTJG-UHFFFAOYSA-N -1 1 455.605 4.541 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001448237037 1066913472 /nfs/dbraw/zinc/91/34/72/1066913472.db2.gz AEFIURZRKSNMEJ-QHCPKHFHSA-N -1 1 458.942 4.852 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCC[C@@H]3C)c2)cc1 ZINC001448298593 1066916679 /nfs/dbraw/zinc/91/66/79/1066916679.db2.gz DQYYCXVZJISVRQ-JKSUJKDBSA-N -1 1 450.988 4.706 20 0 JJADMM C[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC001448308514 1066917276 /nfs/dbraw/zinc/91/72/76/1066917276.db2.gz QJEUZRFHWYVRIJ-GDBMZVCRSA-N -1 1 455.407 4.889 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(OC)c(C)cc3C)c2)cc1 ZINC001448344883 1066918224 /nfs/dbraw/zinc/91/82/24/1066918224.db2.gz BDWGUMJBSGDIBU-UHFFFAOYSA-N -1 1 454.548 4.764 20 0 JJADMM CSc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC001457781211 1066918300 /nfs/dbraw/zinc/91/83/00/1066918300.db2.gz AXYAIKBNTFGZES-UHFFFAOYSA-N -1 1 458.580 4.929 20 0 JJADMM CC1(C)OC(=O)c2c1cccc2C(=O)Nc1cc([O-])c(Br)cc1Br ZINC001457790596 1066921086 /nfs/dbraw/zinc/92/10/86/1066921086.db2.gz XEVSHORJNHLWEW-UHFFFAOYSA-N -1 1 455.102 4.575 20 0 JJADMM O=C(Nc1cc([O-])c(Br)cc1Br)C(F)(F)c1cc(F)cc(F)c1 ZINC001457789597 1066921212 /nfs/dbraw/zinc/92/12/12/1066921212.db2.gz VHTBDZXWXIYCAI-UHFFFAOYSA-N -1 1 457.015 4.926 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C)ns3)c2)cc1 ZINC001457807344 1066924978 /nfs/dbraw/zinc/92/49/78/1066924978.db2.gz RUGPJAJOODDCLS-UHFFFAOYSA-N -1 1 451.957 4.557 20 0 JJADMM CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)c([O-])c1 ZINC001457849601 1066932020 /nfs/dbraw/zinc/93/20/20/1066932020.db2.gz AIPXOAAVSVFWBW-UHFFFAOYSA-N -1 1 453.470 4.509 20 0 JJADMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001448509770 1066935134 /nfs/dbraw/zinc/93/51/34/1066935134.db2.gz DFIIQYIFLJUTQG-JOCHJYFZSA-N -1 1 458.967 4.601 20 0 JJADMM Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)c2c1 ZINC001457901842 1066938886 /nfs/dbraw/zinc/93/88/86/1066938886.db2.gz FTPZDNYGZJVPFP-JXFKEZNVSA-N -1 1 455.480 4.882 20 0 JJADMM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1ccc(Cl)cc1 ZINC001448614786 1066942363 /nfs/dbraw/zinc/94/23/63/1066942363.db2.gz LVQSSWJHCRMLHZ-JOCHJYFZSA-N -1 1 458.967 4.567 20 0 JJADMM COC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1ccc(Cl)cc1 ZINC001448614790 1066942378 /nfs/dbraw/zinc/94/23/78/1066942378.db2.gz LVQSSWJHCRMLHZ-QFIPXVFZSA-N -1 1 458.967 4.567 20 0 JJADMM CC1(c2ccccc2)CC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)C1 ZINC001448628550 1066945319 /nfs/dbraw/zinc/94/53/19/1066945319.db2.gz JKWKRBKPYKOEDN-UHFFFAOYSA-N -1 1 454.979 4.991 20 0 JJADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)CC2)n1 ZINC001448686168 1066950854 /nfs/dbraw/zinc/95/08/54/1066950854.db2.gz VDXHZXPSGSRAKO-UHFFFAOYSA-N -1 1 450.539 4.559 20 0 JJADMM O=C([N-]CC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1)C(F)(F)F ZINC001448723195 1066953563 /nfs/dbraw/zinc/95/35/63/1066953563.db2.gz WRPHXIYIUKZNIW-UHFFFAOYSA-N -1 1 458.839 4.802 20 0 JJADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001457990528 1066953761 /nfs/dbraw/zinc/95/37/61/1066953761.db2.gz BDIJNLQJCAIZQK-UHFFFAOYSA-N -1 1 451.832 4.691 20 0 JJADMM Cc1cccc(C2(C(=O)NCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)CCC2)c1 ZINC001545695504 1066962757 /nfs/dbraw/zinc/96/27/57/1066962757.db2.gz VFIFPLRXYPJZCQ-UHFFFAOYSA-N -1 1 452.551 4.673 20 0 JJADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001448903491 1066968481 /nfs/dbraw/zinc/96/84/81/1066968481.db2.gz YEKKWEPCNNFYRE-OAHLLOKOSA-N -1 1 454.162 4.634 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3SC)cc2)cc1 ZINC001449019527 1066977323 /nfs/dbraw/zinc/97/73/23/1066977323.db2.gz BZODLFMIYHWQSL-UHFFFAOYSA-N -1 1 458.561 4.566 20 0 JJADMM C[C@]1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCCS1 ZINC001545722962 1066978807 /nfs/dbraw/zinc/97/88/07/1066978807.db2.gz IDTPJWVFCQALJQ-LJQANCHMSA-N -1 1 458.527 4.522 20 0 JJADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001449220464 1066990548 /nfs/dbraw/zinc/99/05/48/1066990548.db2.gz NAIVMYOVZDNPQL-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM CC[C@@H](c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545738274 1067002174 /nfs/dbraw/zinc/00/21/74/1067002174.db2.gz FKVDXFHANQADAX-HXUWFJFHSA-N -1 1 495.590 4.530 20 0 JJADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc32)C1 ZINC001449472539 1067010803 /nfs/dbraw/zinc/01/08/03/1067010803.db2.gz GWBZVZFFGRSUCO-JKSUJKDBSA-N -1 1 471.554 4.531 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC001450143979 1067054055 /nfs/dbraw/zinc/05/40/55/1067054055.db2.gz LERLZHYWWPASEP-MRXNPFEDSA-N -1 1 458.942 4.910 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl)N1CCC[C@@H](c2ccccn2)C1 ZINC001450183039 1067057712 /nfs/dbraw/zinc/05/77/12/1067057712.db2.gz PLJOKGIRKKSVEA-QGZVFWFLSA-N -1 1 455.967 4.556 20 0 JJADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC12CCC2 ZINC001450240160 1067062742 /nfs/dbraw/zinc/06/27/42/1067062742.db2.gz QBBXIKXTAYFBMS-KRWDZBQOSA-N -1 1 454.523 4.517 20 0 JJADMM O=C(Nc1ccc2oc(CO)cc2c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001450265518 1067066513 /nfs/dbraw/zinc/06/65/13/1067066513.db2.gz BQNVRPKFFOWZRI-UHFFFAOYSA-N -1 1 456.907 4.632 20 0 JJADMM CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)SC ZINC001545788123 1067083576 /nfs/dbraw/zinc/08/35/76/1067083576.db2.gz JQQGNAFVQPBDJZ-UHFFFAOYSA-N -1 1 477.641 4.683 20 0 JJADMM CC(C)OCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001546102623 1067103053 /nfs/dbraw/zinc/10/30/53/1067103053.db2.gz DDSUJTWKFHFXOS-UHFFFAOYSA-N -1 1 459.395 4.729 20 0 JJADMM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)nn1C1CCCCC1 ZINC001450723932 1067110855 /nfs/dbraw/zinc/11/08/55/1067110855.db2.gz YRGHKAFWSKWHHP-UHFFFAOYSA-N -1 1 456.543 4.889 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(O)c(COC(C)C)c3)c2)c1 ZINC001450736164 1067112989 /nfs/dbraw/zinc/11/29/89/1067112989.db2.gz AMRDMZUHAKUAKV-UHFFFAOYSA-N -1 1 454.548 4.679 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCC(C)(CC(C)C)CC3)c([O-])c2)c1 ZINC001450743917 1067114913 /nfs/dbraw/zinc/11/49/13/1067114913.db2.gz RAXKSNKHWWYVCA-UHFFFAOYSA-N -1 1 454.567 4.950 20 0 JJADMM CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])c1ccc(-c2nccs2)cc1 ZINC001450932538 1067136052 /nfs/dbraw/zinc/13/60/52/1067136052.db2.gz YLHDQRZUJXFKGE-UHFFFAOYSA-N -1 1 451.426 4.903 20 0 JJADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001451043011 1067142681 /nfs/dbraw/zinc/14/26/81/1067142681.db2.gz WXAYOXQAABIECI-IBGZPJMESA-N -1 1 452.576 4.912 20 0 JJADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CCCCc1ccccc1)c1ccccc1 ZINC001451188257 1067152730 /nfs/dbraw/zinc/15/27/30/1067152730.db2.gz CHBFUELMKXLFSQ-UHFFFAOYSA-N -1 1 452.558 4.739 20 0 JJADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001451555224 1067178477 /nfs/dbraw/zinc/17/84/77/1067178477.db2.gz KJSMNBWFRWNTJF-CQSZACIVSA-N -1 1 451.386 4.511 20 0 JJADMM CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001451579505 1067179832 /nfs/dbraw/zinc/17/98/32/1067179832.db2.gz JHVOKOIMUBCBGN-IRLDBZIGSA-N -1 1 471.340 4.994 20 0 JJADMM COc1cc(Cl)ccc1OC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001451678300 1067186374 /nfs/dbraw/zinc/18/63/74/1067186374.db2.gz JOBOIFDYGMUBJM-UHFFFAOYSA-N -1 1 453.850 4.647 20 0 JJADMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001451807228 1067192521 /nfs/dbraw/zinc/19/25/21/1067192521.db2.gz VNDBYBUIYLZWOK-FUHWJXTLSA-N -1 1 450.963 4.979 20 0 JJADMM CCN(CCOc1ccccc1C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001451869373 1067195315 /nfs/dbraw/zinc/19/53/15/1067195315.db2.gz DAWHJAWUBKDUKW-UHFFFAOYSA-N -1 1 454.473 4.772 20 0 JJADMM Cc1cc(C)c(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c(C)c1 ZINC001546039436 1067229532 /nfs/dbraw/zinc/22/95/32/1067229532.db2.gz ZACRJHTUWUPPOD-UHFFFAOYSA-N -1 1 454.567 4.833 20 0 JJADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC001452518128 1067230457 /nfs/dbraw/zinc/23/04/57/1067230457.db2.gz BVBJWSCGXNIQAS-KXBFYZLASA-N -1 1 461.459 4.500 20 0 JJADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])c(C(C)C)n1 ZINC001546105686 1067232747 /nfs/dbraw/zinc/23/27/47/1067232747.db2.gz SBQJIUWRKIZTBR-UHFFFAOYSA-N -1 1 459.955 4.926 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cc3c(ccc4ccccc34)o2)c1 ZINC001546105760 1067234889 /nfs/dbraw/zinc/23/48/89/1067234889.db2.gz VHFLEUSRYVFXCM-UHFFFAOYSA-N -1 1 452.532 4.503 20 0 JJADMM Cc1ccccc1NCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105796 1067236840 /nfs/dbraw/zinc/23/68/40/1067236840.db2.gz WNFKKZIKMMHTBY-UHFFFAOYSA-N -1 1 459.955 4.596 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)c([O-])c1 ZINC001452652167 1067240784 /nfs/dbraw/zinc/24/07/84/1067240784.db2.gz CIEGAMNJGBTNPR-UHFFFAOYSA-N -1 1 452.486 4.805 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC001452659533 1067241957 /nfs/dbraw/zinc/24/19/57/1067241957.db2.gz DUIIQLIAZFMHJN-HXUWFJFHSA-N -1 1 456.608 4.668 20 0 JJADMM CC[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)[C@@H](C)CO1 ZINC001452777578 1067251165 /nfs/dbraw/zinc/25/11/65/1067251165.db2.gz QPLNAMMTYYRLOF-NPMXOYFQSA-N -1 1 458.624 4.669 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](CC)OC[C@H]3CC)c2)cc1 ZINC001452939096 1067265651 /nfs/dbraw/zinc/26/56/51/1067265651.db2.gz XRYRNFSXHVMWMJ-DHIUTWEWSA-N -1 1 458.624 4.860 20 0 JJADMM CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)CC(C)(C)C1 ZINC001453122966 1067281009 /nfs/dbraw/zinc/28/10/09/1067281009.db2.gz QXJWLEJULHKTOS-UHFFFAOYSA-N -1 1 458.580 4.505 20 0 JJADMM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453134025 1067282612 /nfs/dbraw/zinc/28/26/12/1067282612.db2.gz VPAPDZSDOYTTGE-NYVOZVTQSA-N -1 1 464.503 4.766 20 0 JJADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001453226577 1067290433 /nfs/dbraw/zinc/29/04/33/1067290433.db2.gz KAEWDLHWSLZNII-QFIPXVFZSA-N -1 1 454.567 4.994 20 0 JJADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001453534104 1067311319 /nfs/dbraw/zinc/31/13/19/1067311319.db2.gz JEGUPNGQSIZRTR-PZJWPPBQSA-N -1 1 458.942 4.874 20 0 JJADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(Cc1ccccc1F)CC1CC1 ZINC001453620503 1067319382 /nfs/dbraw/zinc/31/93/82/1067319382.db2.gz SAABXHPGNDYPLA-UHFFFAOYSA-N -1 1 456.514 4.818 20 0 JJADMM O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001453636169 1067320045 /nfs/dbraw/zinc/32/00/45/1067320045.db2.gz KWRBZYPNESCWBN-QFIPXVFZSA-N -1 1 455.967 4.807 20 0 JJADMM O=C(/C=C/c1csc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453682600 1067321957 /nfs/dbraw/zinc/32/19/57/1067321957.db2.gz NHHYSNLUHKXRJN-YCZSJOHXSA-N -1 1 476.442 4.843 20 0 JJADMM CC(C)OC1CCC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)CC1 ZINC001453876984 1067333603 /nfs/dbraw/zinc/33/36/03/1067333603.db2.gz GDWQGGZYPJGPJL-UHFFFAOYSA-N -1 1 450.988 4.607 20 0 JJADMM CCN(CC1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1)C(=O)OC(C)(C)C ZINC001459563512 1067352288 /nfs/dbraw/zinc/35/22/88/1067352288.db2.gz ROPPEDBWSXLRIM-UHFFFAOYSA-N -1 1 450.963 4.621 20 0 JJADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(OCc2ccccc2Br)c1 ZINC001460820815 1067729570 /nfs/dbraw/zinc/72/95/70/1067729570.db2.gz VNXKVNGCCGNNNP-UHFFFAOYSA-N -1 1 454.324 4.655 20 0 JJADMM CCC(CC)(C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001461418391 1067851790 /nfs/dbraw/zinc/85/17/90/1067851790.db2.gz KUKJXTOXBQDHSI-SFTDATJTSA-N -1 1 464.503 4.947 20 0 JJADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cc(F)c(Cl)cc2Cl)c(F)cc1Cl ZINC001462710842 1068138951 /nfs/dbraw/zinc/13/89/51/1068138951.db2.gz YNUOEQPGYOTDSO-ZETCQYMHSA-N -1 1 458.697 4.751 20 0 JJADMM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001462992337 1068242227 /nfs/dbraw/zinc/24/22/27/1068242227.db2.gz HHPSXFQYRPIAJF-GFCCVEGCSA-N -1 1 451.169 4.948 20 0 JJADMM CCOc1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463002837 1068245645 /nfs/dbraw/zinc/24/56/45/1068245645.db2.gz RGFJVRKQQZYJPM-UHFFFAOYSA-N -1 1 453.185 4.676 20 0 JJADMM O=S(=O)([N-]CC1(c2c(F)cccc2F)CCCC1)c1cnc(Cl)cc1C(F)(F)F ZINC001463011138 1068250346 /nfs/dbraw/zinc/25/03/46/1068250346.db2.gz RLZFXDUOJVGYNB-UHFFFAOYSA-N -1 1 454.848 4.822 20 0 JJADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CCCCC2)c1F ZINC001463450905 1068401683 /nfs/dbraw/zinc/40/16/83/1068401683.db2.gz XSSHRJFQVZFIPK-UHFFFAOYSA-N -1 1 457.926 4.585 20 0 JJADMM C[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001463469551 1068411523 /nfs/dbraw/zinc/41/15/23/1068411523.db2.gz SFWYEJICPKELCK-QAPCUYQASA-N -1 1 457.452 4.538 20 0 JJADMM O=S(=O)([N-][C@@H]1CCOc2ccc(F)cc21)c1ccc(Br)c(Cl)c1Cl ZINC001463526736 1068428116 /nfs/dbraw/zinc/42/81/16/1068428116.db2.gz DKVRSDQGXCUKJC-LLVKDONJSA-N -1 1 455.132 4.697 20 0 JJADMM CC1(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CCCCC1 ZINC001463590770 1068458869 /nfs/dbraw/zinc/45/88/69/1068458869.db2.gz SRWQUPAHRBVGAM-UHFFFAOYSA-N -1 1 458.580 4.948 20 0 JJADMM O=S(=O)([N-]Cc1ccc2c(n1)CCCC2)c1ccc(Br)c(Cl)c1Cl ZINC001463612497 1068466064 /nfs/dbraw/zinc/46/60/64/1068466064.db2.gz CURPHODZVWODKR-UHFFFAOYSA-N -1 1 450.185 4.508 20 0 JJADMM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Br)c(Cl)c1Cl ZINC001463621270 1068469337 /nfs/dbraw/zinc/46/93/37/1068469337.db2.gz AAFPINUJRXAJSB-RDDDGLTNSA-N -1 1 457.123 4.869 20 0 JJADMM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001463627686 1068473643 /nfs/dbraw/zinc/47/36/43/1068473643.db2.gz UENPOZYCYZIGHE-KRWDZBQOSA-N -1 1 458.967 4.993 20 0 JJADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(C)c(C)c2)CCC1 ZINC001463627117 1068473699 /nfs/dbraw/zinc/47/36/99/1068473699.db2.gz SJDATDGMFSWBBC-UHFFFAOYSA-N -1 1 456.391 4.797 20 0 JJADMM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001463627687 1068473717 /nfs/dbraw/zinc/47/37/17/1068473717.db2.gz UENPOZYCYZIGHE-QGZVFWFLSA-N -1 1 458.967 4.993 20 0 JJADMM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C2 ZINC001463628949 1068474943 /nfs/dbraw/zinc/47/49/43/1068474943.db2.gz YJQQKTVNESSDCK-QFIPXVFZSA-N -1 1 456.951 4.700 20 0 JJADMM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC001463764258 1068516618 /nfs/dbraw/zinc/51/66/18/1068516618.db2.gz NWPBDSGIPRFHAF-UHFFFAOYSA-N -1 1 451.869 4.568 20 0 JJADMM Cc1cc(CC(C)(C)[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)ccc1Br ZINC001463799709 1068529139 /nfs/dbraw/zinc/52/91/39/1068529139.db2.gz HQFKEDSQBBPUNA-UHFFFAOYSA-N -1 1 452.201 4.759 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCOc3ccccc3C)ccc2C)c1 ZINC001463807070 1068531778 /nfs/dbraw/zinc/53/17/78/1068531778.db2.gz IYFITAAWPYCLSQ-UHFFFAOYSA-N -1 1 452.576 4.564 20 0 JJADMM COc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C(C)C)cc1 ZINC001463889504 1068556614 /nfs/dbraw/zinc/55/66/14/1068556614.db2.gz JXUJXNFPSGTZDO-DEOSSOPVSA-N -1 1 452.576 4.932 20 0 JJADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001463940154 1068571311 /nfs/dbraw/zinc/57/13/11/1068571311.db2.gz CRZQJCSOYOQMNE-UHFFFAOYSA-N -1 1 456.340 4.502 20 0 JJADMM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(I)ccc1[O-] ZINC001464006272 1068586574 /nfs/dbraw/zinc/58/65/74/1068586574.db2.gz YBEHPBVYTBALSO-KRWDZBQOSA-N -1 1 453.276 4.717 20 0 JJADMM Cc1ccc(NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001464145322 1068633880 /nfs/dbraw/zinc/63/38/80/1068633880.db2.gz IGTMQHNFCIUANR-DHIUTWEWSA-N -1 1 450.560 4.555 20 0 JJADMM COc1ccc(-c2cncc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)c2)cc1 ZINC001464157537 1068636252 /nfs/dbraw/zinc/63/62/52/1068636252.db2.gz FWZAMIAYULMMSF-UHFFFAOYSA-N -1 1 459.527 4.810 20 0 JJADMM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001464156517 1068636360 /nfs/dbraw/zinc/63/63/60/1068636360.db2.gz CXKUTWSHWQLVEF-UHFFFAOYSA-N -1 1 454.939 4.603 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1S(=O)(=O)Nc1ccccc1 ZINC001464188444 1068648427 /nfs/dbraw/zinc/64/84/27/1068648427.db2.gz JYENQKZNAJHALP-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM CCN(CC)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cn1 ZINC001464218868 1068661775 /nfs/dbraw/zinc/66/17/75/1068661775.db2.gz NKABVXNQUYWFGH-UHFFFAOYSA-N -1 1 452.580 4.598 20 0 JJADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])cc2F)C[C@@H](C)O1 ZINC001464243387 1068673300 /nfs/dbraw/zinc/67/33/00/1068673300.db2.gz WWNXSBASUHGVIT-HUUCEWRRSA-N -1 1 459.518 4.744 20 0 JJADMM O=S(=O)([N-][C@@H]1CCO[C@H]1c1ccccc1)c1cc(Br)c(Cl)cc1Cl ZINC001464261612 1068679898 /nfs/dbraw/zinc/67/98/98/1068679898.db2.gz XBWGVOFMNJSEDY-ZBFHGGJFSA-N -1 1 451.169 4.564 20 0 JJADMM Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001464284611 1068691560 /nfs/dbraw/zinc/69/15/60/1068691560.db2.gz VOSRYCQBJCMCKZ-UHFFFAOYSA-N -1 1 456.539 4.652 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001464381411 1068725681 /nfs/dbraw/zinc/72/56/81/1068725681.db2.gz OZWALFCRNYUHJL-QWRGUYRKSA-N -1 1 456.383 4.942 20 0 JJADMM CCCCCc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)s1 ZINC001464385601 1068727244 /nfs/dbraw/zinc/72/72/44/1068727244.db2.gz BFVNABNSUSOIJS-UHFFFAOYSA-N -1 1 458.609 4.941 20 0 JJADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC001464411708 1068736770 /nfs/dbraw/zinc/73/67/70/1068736770.db2.gz SWXSXDDJIOEALO-UHFFFAOYSA-N -1 1 453.562 4.802 20 0 JJADMM CCSc1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001464462076 1068755424 /nfs/dbraw/zinc/75/54/24/1068755424.db2.gz JVWUIMFSXISZBG-UHFFFAOYSA-N -1 1 452.798 4.875 20 0 JJADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCc1ccc(Cl)c(Cl)c1 ZINC001464488101 1068764171 /nfs/dbraw/zinc/76/41/71/1068764171.db2.gz SMFPFHAHWPVRDJ-UHFFFAOYSA-N -1 1 457.162 4.608 20 0 JJADMM Cc1cc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C2CC2)ccc1F ZINC001545875565 1064291889 /nfs/dbraw/zinc/29/18/89/1064291889.db2.gz ZHWQFISUGJMWST-HSZRJFAPSA-N -1 1 456.514 4.955 20 0 JJADMM CC(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001359795980 1064455394 /nfs/dbraw/zinc/45/53/94/1064455394.db2.gz RMNBITZKHAIHDC-HYBUGGRVSA-N -1 1 468.642 4.877 20 0 JJADMM CC(C)Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H]1CCSC1(C)C ZINC001359796321 1064456322 /nfs/dbraw/zinc/45/63/22/1064456322.db2.gz YJNBBBDRRIOAOQ-HXUWFJFHSA-N -1 1 456.656 4.813 20 0 JJADMM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)s2)cc1 ZINC001435115816 1064523432 /nfs/dbraw/zinc/52/34/32/1064523432.db2.gz IYEJJCYZHWSELR-UHFFFAOYSA-N -1 1 459.568 4.545 20 0 JJADMM O=C(NCCc1ccsc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001545892785 1064949588 /nfs/dbraw/zinc/94/95/88/1064949588.db2.gz AVFGWZRWNILBAA-UHFFFAOYSA-N -1 1 454.495 4.540 20 0 JJADMM Cc1nc([C@@H]([N-]C(=O)C(F)(F)c2ccc(Br)cc2)c2ccc(Cl)cc2)no1 ZINC001435725040 1064956922 /nfs/dbraw/zinc/95/69/22/1064956922.db2.gz CXFNNMXYFBQKMH-HNNXBMFYSA-N -1 1 456.674 4.792 20 0 JJADMM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001436909967 1065468665 /nfs/dbraw/zinc/46/86/65/1065468665.db2.gz ILEMATKWODSULA-QGZVFWFLSA-N -1 1 459.493 4.677 20 0 JJADMM Cc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440379737 1065934825 /nfs/dbraw/zinc/93/48/25/1065934825.db2.gz AVISDCRRWMLNAP-KRWDZBQOSA-N -1 1 458.967 4.993 20 0 JJADMM Cc1ccc(NC(=O)C[C@H]2CSCCS2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440383044 1065935283 /nfs/dbraw/zinc/93/52/83/1065935283.db2.gz IAIZPFHZSCHBKC-KRWDZBQOSA-N -1 1 457.042 4.626 20 0 JJADMM Cc1ccc(NC(=O)c2cnc(C)nc2C2CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440382826 1065935414 /nfs/dbraw/zinc/93/54/14/1065935414.db2.gz HHUAHOKYOIDVHZ-UHFFFAOYSA-N -1 1 456.955 4.677 20 0 JJADMM Cc1ccc(NC(=O)c2cn(C)nc2C2CCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440382792 1065935547 /nfs/dbraw/zinc/93/55/47/1065935547.db2.gz HBERCLMJPLZOFZ-UHFFFAOYSA-N -1 1 458.971 4.703 20 0 JJADMM CCCOc1cccnc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001440385159 1065935828 /nfs/dbraw/zinc/93/58/28/1065935828.db2.gz LVYHBISSAJMWKH-UHFFFAOYSA-N -1 1 459.955 4.885 20 0 JJADMM Cc1ccc(NC(=O)c2ncnc3sccc32)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440391569 1065937264 /nfs/dbraw/zinc/93/72/64/1065937264.db2.gz WPFIMEMWYHDJQC-UHFFFAOYSA-N -1 1 458.952 4.706 20 0 JJADMM Cc1ccc(NC(=O)c2cccnc2OC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440390216 1065937505 /nfs/dbraw/zinc/93/75/05/1065937505.db2.gz UYAMKSGAPGTAHI-UHFFFAOYSA-N -1 1 459.955 4.884 20 0 JJADMM CS[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001440415668 1065939403 /nfs/dbraw/zinc/93/94/03/1065939403.db2.gz YBAQWBFRAXJTJE-ZDUSSCGKSA-N -1 1 457.415 4.638 20 0 JJADMM COc1c(F)ccc(F)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440495270 1065944404 /nfs/dbraw/zinc/94/44/04/1065944404.db2.gz DTVRBXJNBHEMNS-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccc([C@H]2CCOC2)c1 ZINC001440501649 1065944978 /nfs/dbraw/zinc/94/49/78/1065944978.db2.gz VVJGRLQFZKELHZ-SFHVURJKSA-N -1 1 456.951 4.897 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cccc([C@@H]2CCOC2)c1 ZINC001440501647 1065945149 /nfs/dbraw/zinc/94/51/49/1065945149.db2.gz VVJGRLQFZKELHZ-GOSISDBHSA-N -1 1 456.951 4.897 20 0 JJADMM CC[C@@](O)(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC001440564023 1065950267 /nfs/dbraw/zinc/95/02/67/1065950267.db2.gz LHKPRIYFEOTALP-HSZRJFAPSA-N -1 1 458.967 4.767 20 0 JJADMM C[C@H]1CCc2nc(NC(=O)c3c[n-]c4c(Cl)cc(Br)cc4c3=O)sc2C1 ZINC001440659712 1065959984 /nfs/dbraw/zinc/95/99/84/1065959984.db2.gz RPGGYVPUPCVYOE-QMMMGPOBSA-N -1 1 452.761 4.778 20 0 JJADMM O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(I)c([O-])c1 ZINC001440668191 1065961217 /nfs/dbraw/zinc/96/12/17/1065961217.db2.gz YTQKXAXATNYDIA-UHFFFAOYSA-N -1 1 455.255 4.588 20 0 JJADMM Cc1ccc(C(=O)NCCCOc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440702719 1065968046 /nfs/dbraw/zinc/96/80/46/1065968046.db2.gz LYELAYIQCZIKFM-UHFFFAOYSA-N -1 1 458.967 4.648 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCn4cccc4[C@H]3C)c2)cc1C ZINC001441054955 1066004703 /nfs/dbraw/zinc/00/47/03/1066004703.db2.gz OODUIHKQUMTEKI-QGZVFWFLSA-N -1 1 457.983 4.776 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1c(F)cccc1Cl ZINC001441118796 1066008763 /nfs/dbraw/zinc/00/87/63/1066008763.db2.gz UCQQCCKDWOEEIJ-UHFFFAOYSA-N -1 1 450.894 4.657 20 0 JJADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC001441223860 1066016318 /nfs/dbraw/zinc/01/63/18/1066016318.db2.gz MJVUDEWTOGDRNI-PMACEKPBSA-N -1 1 458.580 4.551 20 0 JJADMM Cc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441346196 1066031411 /nfs/dbraw/zinc/03/14/11/1066031411.db2.gz IDTSAKJHMPEAOV-UHFFFAOYSA-N -1 1 450.545 4.567 20 0 JJADMM COc1ccc(/C(C)=C\C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001441388136 1066036782 /nfs/dbraw/zinc/03/67/82/1066036782.db2.gz DBBAPGACLQOREH-SQFISAMPSA-N -1 1 458.486 4.816 20 0 JJADMM CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cnn1CCC(C)C ZINC001441424707 1066039997 /nfs/dbraw/zinc/03/99/97/1066039997.db2.gz NBXSJYVDCDJKPO-UHFFFAOYSA-N -1 1 454.596 4.853 20 0 JJADMM Cc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001441422410 1066040153 /nfs/dbraw/zinc/04/01/53/1066040153.db2.gz LGKNRASFISBREN-UHFFFAOYSA-N -1 1 453.545 4.694 20 0 JJADMM CC(=O)Nc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)ccc1C ZINC001441473551 1066044354 /nfs/dbraw/zinc/04/43/54/1066044354.db2.gz OYSUSWQTZYDOBO-UHFFFAOYSA-N -1 1 457.939 4.660 20 0 JJADMM O=C(NCCSC(F)(F)F)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001441503645 1066047023 /nfs/dbraw/zinc/04/70/23/1066047023.db2.gz FCQKGZAHSRUULA-UHFFFAOYSA-N -1 1 453.269 4.934 20 0 JJADMM O=C(Cc1cnccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001441890816 1066079356 /nfs/dbraw/zinc/07/93/56/1066079356.db2.gz XOUUPZZLHYFEKN-UHFFFAOYSA-N -1 1 454.310 4.510 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c([O-])c1)c1cc(F)cc(F)c1 ZINC001442036721 1066087320 /nfs/dbraw/zinc/08/73/20/1066087320.db2.gz JPGASJBPBIJLFO-LJQANCHMSA-N -1 1 450.363 4.956 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCc4cc(C)ccc43)c2)cc1 ZINC001442180536 1066099637 /nfs/dbraw/zinc/09/96/37/1066099637.db2.gz JTKFFZMXKQSGJT-DEOSSOPVSA-N -1 1 450.560 4.612 20 0 JJADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001442232045 1066105839 /nfs/dbraw/zinc/10/58/39/1066105839.db2.gz KNWRCXODVMIFCS-UHFFFAOYSA-N -1 1 453.562 4.802 20 0 JJADMM CC(C)(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001442292309 1066112444 /nfs/dbraw/zinc/11/24/44/1066112444.db2.gz FGFJFSWSOFYNEE-UHFFFAOYSA-N -1 1 456.539 4.734 20 0 JJADMM COc1cc(CN(C)C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])ccc1SC ZINC001442388800 1066122579 /nfs/dbraw/zinc/12/25/79/1066122579.db2.gz VUWIMWNOJZSULK-UHFFFAOYSA-N -1 1 458.458 4.506 20 0 JJADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC001442504187 1066131939 /nfs/dbraw/zinc/13/19/39/1066131939.db2.gz QRWSGQXQMDHHRJ-IBGZPJMESA-N -1 1 452.576 4.994 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC001442544348 1066135231 /nfs/dbraw/zinc/13/52/31/1066135231.db2.gz HZYCMHLCPUXYPE-IRXDYDNUSA-N -1 1 453.377 4.549 20 0 JJADMM Cc1c2cc(F)ccc2oc1Cn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360979212 1066137551 /nfs/dbraw/zinc/13/75/51/1066137551.db2.gz LSAGDOAYCYWLIH-UHFFFAOYSA-N -1 1 495.521 4.713 20 0 JJADMM CC1(C)C[C@]1(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC001453940579 1066223407 /nfs/dbraw/zinc/22/34/07/1066223407.db2.gz BRSZMAPNZUBNAS-VWLOTQADSA-N -1 1 452.551 4.724 20 0 JJADMM Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001454015550 1066234868 /nfs/dbraw/zinc/23/48/68/1066234868.db2.gz JLGXTCPZFNNCTE-XMMPIXPASA-N -1 1 452.551 4.671 20 0 JJADMM C[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001454066270 1066242430 /nfs/dbraw/zinc/24/24/30/1066242430.db2.gz XEAYKDLVERHVTP-XFQAVAEZSA-N -1 1 475.555 4.915 20 0 JJADMM CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC001454243157 1066257139 /nfs/dbraw/zinc/25/71/39/1066257139.db2.gz VMZIUGNZLBZJCV-UHFFFAOYSA-N -1 1 458.331 4.704 20 0 JJADMM C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001454457628 1066284479 /nfs/dbraw/zinc/28/44/79/1066284479.db2.gz WLYKFFMEYZMFCH-QINSGFPZSA-N -1 1 454.876 4.692 20 0 JJADMM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc(I)ccc1[O-] ZINC001443266233 1066287076 /nfs/dbraw/zinc/28/70/76/1066287076.db2.gz QQOHTBDONQFFCC-UHFFFAOYSA-N -1 1 458.299 4.543 20 0 JJADMM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])C1 ZINC001454571696 1066302519 /nfs/dbraw/zinc/30/25/19/1066302519.db2.gz RCQXYINIEZKNFG-QZTJIDSGSA-N -1 1 451.350 4.621 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2(O)CCCC(C)(C)CC2)c1 ZINC001454689586 1066319720 /nfs/dbraw/zinc/31/97/20/1066319720.db2.gz KISRIUYJGQCLCC-VWLOTQADSA-N -1 1 458.624 4.555 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001454880554 1066338182 /nfs/dbraw/zinc/33/81/82/1066338182.db2.gz OTLPGRWTLHGZRX-MGPUTAFESA-N -1 1 470.488 4.809 20 0 JJADMM Cc1cncc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001454984576 1066349843 /nfs/dbraw/zinc/34/98/43/1066349843.db2.gz AZYDSZYROTXGDX-QFIPXVFZSA-N -1 1 455.967 4.822 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3F)c2)cc1F ZINC001455171927 1066368176 /nfs/dbraw/zinc/36/81/76/1066368176.db2.gz USLLLHBPESWAIH-JTHBVZDNSA-N -1 1 456.514 4.690 20 0 JJADMM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC001443830919 1066373114 /nfs/dbraw/zinc/37/31/14/1066373114.db2.gz MPQXBZSVAGQFJE-HSZRJFAPSA-N -1 1 452.601 4.726 20 0 JJADMM CCC[C@@H](C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001455267483 1066377599 /nfs/dbraw/zinc/37/75/99/1066377599.db2.gz MYGWYCYTXHZPTH-OAHLLOKOSA-N -1 1 453.402 4.806 20 0 JJADMM O=C(Nc1ncsc1C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001455349081 1066384219 /nfs/dbraw/zinc/38/42/19/1066384219.db2.gz ODMCXDIZXYDJDV-UHFFFAOYSA-N -1 1 451.932 4.866 20 0 JJADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC001443919590 1066385859 /nfs/dbraw/zinc/38/58/59/1066385859.db2.gz ZHFVJGLINZJZJW-QHCPKHFHSA-N -1 1 452.551 4.782 20 0 JJADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507727 1066399629 /nfs/dbraw/zinc/39/96/29/1066399629.db2.gz AIEFLYROTAFLTE-PGRDOPGGSA-N -1 1 458.599 4.839 20 0 JJADMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccc(F)cc1 ZINC001546074227 1066415718 /nfs/dbraw/zinc/41/57/18/1066415718.db2.gz LHHRNMFAKXMYOX-QHCPKHFHSA-N -1 1 454.523 4.710 20 0 JJADMM CC[C@](C)(NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C)c1nc(C)cs1 ZINC001444257601 1066436641 /nfs/dbraw/zinc/43/66/41/1066436641.db2.gz DLQHRCCANMITED-QHCPKHFHSA-N -1 1 457.621 4.924 20 0 JJADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC001455825684 1066438700 /nfs/dbraw/zinc/43/87/00/1066438700.db2.gz WANPINLZLNELBY-QISBLDNZSA-N -1 1 453.391 4.816 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)Cc3ccc(C)s3)c2)cc1 ZINC001444318708 1066448022 /nfs/dbraw/zinc/44/80/22/1066448022.db2.gz DCFDBCWYXPHNLU-INIZCTEOSA-N -1 1 458.605 4.617 20 0 JJADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444493139 1066466738 /nfs/dbraw/zinc/46/67/38/1066466738.db2.gz XEVGTROXPMLSMC-DVECYGJZSA-N -1 1 452.551 4.768 20 0 JJADMM Cc1csc([C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)C2CC2)n1 ZINC001444698071 1066494550 /nfs/dbraw/zinc/49/45/50/1066494550.db2.gz JOMRTHWLNPMRJN-FQEVSTJZSA-N -1 1 459.568 4.581 20 0 JJADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001444807180 1066506474 /nfs/dbraw/zinc/50/64/74/1066506474.db2.gz SUQCZUMGTKCIMH-WAIKUNEKSA-N -1 1 456.514 4.989 20 0 JJADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)C1 ZINC001444808056 1066507091 /nfs/dbraw/zinc/50/70/91/1066507091.db2.gz IWGJRZBBCYGUJG-DLBZAZTESA-N -1 1 454.564 4.512 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)Oc3ccccc3C)cc2)c1 ZINC001444815757 1066508984 /nfs/dbraw/zinc/50/89/84/1066508984.db2.gz RFDWTUVLWOUPFJ-FQEVSTJZSA-N -1 1 452.576 4.610 20 0 JJADMM Cc1ccc(O[C@H](C)CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC001444816676 1066509484 /nfs/dbraw/zinc/50/94/84/1066509484.db2.gz YNLAKJVUQICKAI-HXUWFJFHSA-N -1 1 452.576 4.610 20 0 JJADMM CC1(C)CCC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001445170979 1066542892 /nfs/dbraw/zinc/54/28/92/1066542892.db2.gz CBMLQBXVDVRDGS-GOSISDBHSA-N -1 1 451.386 4.558 20 0 JJADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445175647 1066543279 /nfs/dbraw/zinc/54/32/79/1066543279.db2.gz ILLQAFBDSWWJFP-NPMXOYFQSA-N -1 1 456.514 4.819 20 0 JJADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445175654 1066543437 /nfs/dbraw/zinc/54/34/37/1066543437.db2.gz ILLQAFBDSWWJFP-WNSKOXEYSA-N -1 1 456.514 4.819 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)cc1F ZINC001445271892 1066551497 /nfs/dbraw/zinc/55/14/97/1066551497.db2.gz LHUHMCKZFAAGEI-UHFFFAOYSA-N -1 1 458.477 4.740 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC001445376479 1066564931 /nfs/dbraw/zinc/56/49/31/1066564931.db2.gz LWTBPYDWRPYYDW-UHFFFAOYSA-N -1 1 452.507 4.953 20 0 JJADMM COc1cnc(C2(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCC2)[n-]c1=O ZINC001456396701 1066578075 /nfs/dbraw/zinc/57/80/75/1066578075.db2.gz MILNYKFEZAMFQQ-UHFFFAOYSA-N -1 1 455.599 4.750 20 0 JJADMM COc1c(F)cc(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001445516369 1066579921 /nfs/dbraw/zinc/57/99/21/1066579921.db2.gz OSJFBMRJLDKNMB-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(O)c3)c2)cc1 ZINC001445638695 1066597245 /nfs/dbraw/zinc/59/72/45/1066597245.db2.gz VEGUMAZPOBJNHB-UHFFFAOYSA-N -1 1 452.576 4.808 20 0 JJADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001445642315 1066597316 /nfs/dbraw/zinc/59/73/16/1066597316.db2.gz ACKIKKACSAVOJU-UHFFFAOYSA-N -1 1 456.258 4.909 20 0 JJADMM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001456566122 1066627139 /nfs/dbraw/zinc/62/71/39/1066627139.db2.gz FOKFEYUUEBLISC-HSZRJFAPSA-N -1 1 458.580 4.925 20 0 JJADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001445995248 1066642613 /nfs/dbraw/zinc/64/26/13/1066642613.db2.gz AWCVOFAQAIKCBZ-INIZCTEOSA-N -1 1 458.967 4.550 20 0 JJADMM Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445998075 1066643190 /nfs/dbraw/zinc/64/31/90/1066643190.db2.gz OFYIBQZCRLIGDY-UHFFFAOYSA-N -1 1 452.507 4.920 20 0 JJADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC(c2ccc(F)cc2)C1 ZINC001446000047 1066643209 /nfs/dbraw/zinc/64/32/09/1066643209.db2.gz TYYONZXPVLKCIZ-UHFFFAOYSA-N -1 1 456.514 4.576 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)ccc2C)cc1 ZINC001445998842 1066643255 /nfs/dbraw/zinc/64/32/55/1066643255.db2.gz IDAVDUBTOBUWCM-LJQANCHMSA-N -1 1 452.576 4.513 20 0 JJADMM CCOc1cc(C)ccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC001446038792 1066650024 /nfs/dbraw/zinc/65/00/24/1066650024.db2.gz QURUOPUJXHAQCA-UHFFFAOYSA-N -1 1 452.576 4.741 20 0 JJADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001446066935 1066654652 /nfs/dbraw/zinc/65/46/52/1066654652.db2.gz KPTPDYCUGXIITM-LBPRGKRZSA-N -1 1 458.411 4.960 20 0 JJADMM C[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCS1 ZINC001456674068 1066664525 /nfs/dbraw/zinc/66/45/25/1066664525.db2.gz TTXPVPCSTWNLBF-BBRMVZONSA-N -1 1 458.527 4.520 20 0 JJADMM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(Br)cc1[O-] ZINC001446340516 1066693473 /nfs/dbraw/zinc/69/34/73/1066693473.db2.gz QZILPEDOUCFEOO-UHFFFAOYSA-N -1 1 450.161 4.937 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccc(F)cc4C3)c2)c1 ZINC001446395566 1066701420 /nfs/dbraw/zinc/70/14/20/1066701420.db2.gz TTXRDLUSMSJDSD-UHFFFAOYSA-N -1 1 458.942 4.787 20 0 JJADMM CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986484 1066708040 /nfs/dbraw/zinc/70/80/40/1066708040.db2.gz GKRAYNCUDRGNEN-CTNGQTDRSA-N -1 1 493.574 4.608 20 0 JJADMM Cc1ccc(C(=O)Nc2n[nH]c3c2cccc3Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001446498066 1066710697 /nfs/dbraw/zinc/71/06/97/1066710697.db2.gz DQAIUKIBIOZFPO-UHFFFAOYSA-N -1 1 458.902 4.717 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC34CCCC4)c2)cc1 ZINC001456928640 1066724509 /nfs/dbraw/zinc/72/45/09/1066724509.db2.gz WQAFQVIPTOVARI-QHCPKHFHSA-N -1 1 456.608 4.662 20 0 JJADMM CCc1ccc(CCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])cc1 ZINC001446711293 1066733128 /nfs/dbraw/zinc/73/31/28/1066733128.db2.gz MQJGDOSHNPJIAM-UHFFFAOYSA-N -1 1 458.967 4.980 20 0 JJADMM Cc1ccccc1NCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001446718435 1066734074 /nfs/dbraw/zinc/73/40/74/1066734074.db2.gz YYUYRJBNKZERDO-UHFFFAOYSA-N -1 1 459.955 4.596 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3Cc4ccccc4[C@@H]3CC)c2)cc1 ZINC001456996995 1066738501 /nfs/dbraw/zinc/73/85/01/1066738501.db2.gz FLEORDFOGZDERY-DEOSSOPVSA-N -1 1 450.560 4.993 20 0 JJADMM CC[C@@]1(C)COCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001446792610 1066740722 /nfs/dbraw/zinc/74/07/22/1066740722.db2.gz JBDQMKNNEPLWMH-VWLOTQADSA-N -1 1 458.624 4.671 20 0 JJADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886824 1066753735 /nfs/dbraw/zinc/75/37/35/1066753735.db2.gz YAKBZUXWVCAVQI-KDOFPFPSSA-N -1 1 451.386 4.653 20 0 JJADMM C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)C[C@H]1F ZINC001447030026 1066768009 /nfs/dbraw/zinc/76/80/09/1066768009.db2.gz OEEBHNOBQDMPJL-WZONZLPQSA-N -1 1 452.551 4.975 20 0 JJADMM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3[O-])ccc21 ZINC001447260875 1066785595 /nfs/dbraw/zinc/78/55/95/1066785595.db2.gz GLAQUGDYYSKUOY-UHFFFAOYSA-N -1 1 456.608 4.778 20 0 JJADMM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457201818 1066787666 /nfs/dbraw/zinc/78/76/66/1066787666.db2.gz SAMRHBVRHSYFMV-RTWAWAEBSA-N -1 1 452.551 4.544 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCOCC34CCCC4)c2)cc1 ZINC001447288607 1066788050 /nfs/dbraw/zinc/78/80/50/1066788050.db2.gz ULLCFANXYJNNOB-UHFFFAOYSA-N -1 1 456.608 4.615 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)ccc2C)cc1 ZINC001447360300 1066798184 /nfs/dbraw/zinc/79/81/84/1066798184.db2.gz NHUUBTRAHKCMTP-QGZVFWFLSA-N -1 1 450.560 4.964 20 0 JJADMM COCc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)o1 ZINC001447361046 1066798766 /nfs/dbraw/zinc/79/87/66/1066798766.db2.gz JEKRORAVFCXBCV-JOCHJYFZSA-N -1 1 454.548 4.513 20 0 JJADMM C[C@H](Oc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445348 1066810422 /nfs/dbraw/zinc/81/04/22/1066810422.db2.gz HOTHRZGZDBZMJG-QKKBWIMNSA-N -1 1 451.889 4.652 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC001447455081 1066811679 /nfs/dbraw/zinc/81/16/79/1066811679.db2.gz QOYYFBUPPOSACP-QMHKHESXSA-N -1 1 453.539 4.553 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@]3(C)CCO[C@@H]3C)cc2)c1C ZINC001447597506 1066827496 /nfs/dbraw/zinc/82/74/96/1066827496.db2.gz VYPKGTWHUARSNW-CJAUYULYSA-N -1 1 458.624 4.699 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(Cc3c(F)cccc3F)C3CC3)c2)c1 ZINC001447649648 1066835355 /nfs/dbraw/zinc/83/53/55/1066835355.db2.gz KUIFWVISUMFFES-UHFFFAOYSA-N -1 1 456.514 4.879 20 0 JJADMM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC001457488473 1066841245 /nfs/dbraw/zinc/84/12/45/1066841245.db2.gz VWOYWVLFBPNNKV-UHFFFAOYSA-N -1 1 458.967 4.812 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)cc1 ZINC001447731025 1066848334 /nfs/dbraw/zinc/84/83/34/1066848334.db2.gz SJMNEIQVLFNGTC-UHFFFAOYSA-N -1 1 452.551 4.739 20 0 JJADMM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(Cl)c1 ZINC001447791121 1066858467 /nfs/dbraw/zinc/85/84/67/1066858467.db2.gz GHENAXFXIBKJEM-UHFFFAOYSA-N -1 1 459.930 4.929 20 0 JJADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457690224 1066898147 /nfs/dbraw/zinc/89/81/47/1066898147.db2.gz GRAQHMYDZCOODC-UHFFFAOYSA-N -1 1 454.935 4.912 20 0 JJADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC001457717091 1066903953 /nfs/dbraw/zinc/90/39/53/1066903953.db2.gz VZAIQTLCHBDRNI-UHFFFAOYSA-N -1 1 452.866 4.685 20 0 JJADMM CCOc1cccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC001457718103 1066904274 /nfs/dbraw/zinc/90/42/74/1066904274.db2.gz QTPBLRACXFOJOA-UHFFFAOYSA-N -1 1 458.967 4.512 20 0 JJADMM CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001457729327 1066905668 /nfs/dbraw/zinc/90/56/68/1066905668.db2.gz DYQNEYBMKVFALM-UHFFFAOYSA-N -1 1 454.939 4.763 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cc(F)cc(C)c3C2)cc1 ZINC001448353571 1066918799 /nfs/dbraw/zinc/91/87/99/1066918799.db2.gz HPADHVZJXSAPAY-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@H]1CCN(c2ccccc2F)C1 ZINC001457786764 1066919739 /nfs/dbraw/zinc/91/97/39/1066919739.db2.gz LYFHNDVWWPRZMD-JTQLQIEISA-N -1 1 458.125 4.521 20 0 JJADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)c2)o1 ZINC001448437014 1066927043 /nfs/dbraw/zinc/92/70/43/1066927043.db2.gz WEBJTDLVGHPLLX-KRWDZBQOSA-N -1 1 453.800 4.600 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2)ccc1F ZINC001448567595 1066939311 /nfs/dbraw/zinc/93/93/11/1066939311.db2.gz WACXHYANBYAMDE-RBBKRZOGSA-N -1 1 458.942 4.874 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](CF)C3)c2)cc1 ZINC001457980215 1066951040 /nfs/dbraw/zinc/95/10/40/1066951040.db2.gz BDYXLWSAVRFCJB-QGZVFWFLSA-N -1 1 452.979 4.915 20 0 JJADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CCc2ccsc2C1 ZINC001458027798 1066958054 /nfs/dbraw/zinc/95/80/54/1066958054.db2.gz QSWZBJQWTDSYDH-UHFFFAOYSA-N -1 1 450.944 4.540 20 0 JJADMM CC(C)(CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC001545695020 1066962784 /nfs/dbraw/zinc/96/27/84/1066962784.db2.gz BERODPRKPBZWRA-UHFFFAOYSA-N -1 1 458.530 4.750 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn([C@@H](C)CC)c3C)cc2)cc1 ZINC001448929707 1066970939 /nfs/dbraw/zinc/97/09/39/1066970939.db2.gz SKWHTGDHDKPKTB-INIZCTEOSA-N -1 1 456.568 4.614 20 0 JJADMM CO[C@]1(C)CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC001448981217 1066975425 /nfs/dbraw/zinc/97/54/25/1066975425.db2.gz HAEMWYWMLZJJRT-JOCHJYFZSA-N -1 1 451.350 4.983 20 0 JJADMM C[C@@]1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CCCS1 ZINC001545722961 1066978633 /nfs/dbraw/zinc/97/86/33/1066978633.db2.gz IDTPJWVFCQALJQ-IBGZPJMESA-N -1 1 458.527 4.522 20 0 JJADMM CC[C@@H](c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCC1(F)CCC1)c1ccccc1 ZINC001545738890 1067004003 /nfs/dbraw/zinc/00/40/03/1067004003.db2.gz POCNXUCUGJTQGK-HXUWFJFHSA-N -1 1 495.565 4.997 20 0 JJADMM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001449577817 1067015727 /nfs/dbraw/zinc/01/57/27/1067015727.db2.gz FZOJJYNVJCKSMB-SFHVURJKSA-N -1 1 456.505 4.909 20 0 JJADMM CC[C@@H](C)[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908075 1067037007 /nfs/dbraw/zinc/03/70/07/1067037007.db2.gz AYIRHNSGSSSJEU-YJYMSZOUSA-N -1 1 459.395 4.585 20 0 JJADMM O=C(Nc1cccc([O-])c1Br)c1ccc(I)cc1Cl ZINC001449940644 1067038153 /nfs/dbraw/zinc/03/81/53/1067038153.db2.gz QOUOPRJFDCDQBQ-UHFFFAOYSA-N -1 1 452.473 4.665 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC001450009418 1067041231 /nfs/dbraw/zinc/04/12/31/1067041231.db2.gz SQJHDLJHVGCNPU-HUUCEWRRSA-N -1 1 458.477 4.738 20 0 JJADMM Cc1cccc2c1CC(C)(C)N(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c1)C2 ZINC001450065516 1067047166 /nfs/dbraw/zinc/04/71/66/1067047166.db2.gz HRKFSYSWRHRLJG-UHFFFAOYSA-N -1 1 452.551 4.912 20 0 JJADMM Cc1cnc(OC(C)C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC001450108060 1067049830 /nfs/dbraw/zinc/04/98/30/1067049830.db2.gz GQINAMYVNBPQPI-UHFFFAOYSA-N -1 1 453.564 4.847 20 0 JJADMM CCC[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)OC ZINC001450158457 1067055783 /nfs/dbraw/zinc/05/57/83/1067055783.db2.gz WYQGWNDNFWUNFQ-OAQYLSRUSA-N -1 1 452.576 4.699 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(F)(c4ccccc4F)C3)ccc2C)cc1 ZINC001450425335 1067079922 /nfs/dbraw/zinc/07/99/22/1067079922.db2.gz SSPUXZWOUOWLNF-UHFFFAOYSA-N -1 1 456.514 4.564 20 0 JJADMM CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)Cc2ccccc2C1 ZINC001545793411 1067092110 /nfs/dbraw/zinc/09/21/10/1067092110.db2.gz DTAKKQQEBFEDQE-UHFFFAOYSA-N -1 1 454.979 4.676 20 0 JJADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)[C@@H](C)C(C)C ZINC001450696846 1067105132 /nfs/dbraw/zinc/10/51/32/1067105132.db2.gz DEJZWWIORGRWCK-HNNXBMFYSA-N -1 1 453.402 4.757 20 0 JJADMM Cc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001450729840 1067112159 /nfs/dbraw/zinc/11/21/59/1067112159.db2.gz NNKJCHWRTIIJFN-NYHFZMIOSA-N -1 1 456.951 4.701 20 0 JJADMM C[C@H](Oc1ccccc1NC(=O)c1ccc(I)c([O-])c1)C(F)(F)F ZINC001450837925 1067129537 /nfs/dbraw/zinc/12/95/37/1067129537.db2.gz SFWDQNLXXZPVDL-VIFPVBQESA-N -1 1 451.182 4.579 20 0 JJADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N[C@@H]1CCCC[C@H]1F ZINC001451409230 1067166720 /nfs/dbraw/zinc/16/67/20/1067166720.db2.gz DBBXOIPUOMJDOC-RTBURBONSA-N -1 1 459.370 4.734 20 0 JJADMM COc1cccc(SC)c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001451688346 1067186386 /nfs/dbraw/zinc/18/63/86/1067186386.db2.gz BDNPUHMEOZVZMU-UHFFFAOYSA-N -1 1 453.745 4.927 20 0 JJADMM CN(CCC1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC1)C(=O)OC(C)(C)C ZINC001545838650 1067192156 /nfs/dbraw/zinc/19/21/56/1067192156.db2.gz YMABNHAJERVAQI-UHFFFAOYSA-N -1 1 456.539 4.574 20 0 JJADMM CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC001452467538 1067226285 /nfs/dbraw/zinc/22/62/85/1067226285.db2.gz AGTVXIUTCFOYCH-UHFFFAOYSA-N -1 1 459.575 4.558 20 0 JJADMM COc1cccc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)sc21 ZINC001452482963 1067226859 /nfs/dbraw/zinc/22/68/59/1067226859.db2.gz DEXCYRAJHIIMBU-UHFFFAOYSA-N -1 1 453.545 4.666 20 0 JJADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])c(F)c1F ZINC001546105702 1067232638 /nfs/dbraw/zinc/23/26/38/1067232638.db2.gz STBKCKYYXICXQH-UHFFFAOYSA-N -1 1 452.866 4.685 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc(C4CC4)c[nH]3)ccc2C)cc1 ZINC001452553090 1067233751 /nfs/dbraw/zinc/23/37/51/1067233751.db2.gz FPJANVOALHKWNW-UHFFFAOYSA-N -1 1 452.580 4.991 20 0 JJADMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])C[C@@H]1c1ccccc1 ZINC001546105849 1067237884 /nfs/dbraw/zinc/23/78/84/1067237884.db2.gz YYIGBGUPNWZTIW-XXBNENTESA-N -1 1 456.951 4.979 20 0 JJADMM O=C(NCCCc1c(Cl)cccc1Cl)c1cc(I)ccc1[O-] ZINC001452643315 1067239435 /nfs/dbraw/zinc/23/94/35/1067239435.db2.gz LBHIYNQSXQMCCI-UHFFFAOYSA-N -1 1 450.103 4.666 20 0 JJADMM CC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-])c1ccccc1F 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453.160 4.905 20 0 JJADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)Oc1ccc(F)cc1 ZINC001463183006 1068312592 /nfs/dbraw/zinc/31/25/92/1068312592.db2.gz LGUQJJJJDGDGHQ-VIFPVBQESA-N -1 1 457.148 4.641 20 0 JJADMM Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2)c1 ZINC001463186481 1068313361 /nfs/dbraw/zinc/31/33/61/1068313361.db2.gz WJGOJJRQPLRIPU-UHFFFAOYSA-N -1 1 451.544 4.777 20 0 JJADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)Oc1cccc(F)c1 ZINC001463192128 1068315626 /nfs/dbraw/zinc/31/56/26/1068315626.db2.gz GBTCHZLMAWJABI-SECBINFHSA-N -1 1 457.148 4.641 20 0 JJADMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)c2ccc(F)cc2O1 ZINC001463380003 1068378295 /nfs/dbraw/zinc/37/82/95/1068378295.db2.gz SZGZVXMUZARALU-CQSZACIVSA-N -1 1 454.317 4.915 20 0 JJADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC001463385771 1068380200 /nfs/dbraw/zinc/38/02/00/1068380200.db2.gz CTWYCPDEXGOICY-SFHVURJKSA-N -1 1 455.479 4.644 20 0 JJADMM 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ZINC001463653927 1068483164 /nfs/dbraw/zinc/48/31/64/1068483164.db2.gz NMWHFXLNGYVSBN-UHFFFAOYSA-N -1 1 453.351 4.824 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(N(C)C)cc3)ccc2C)c1 ZINC001463672615 1068489862 /nfs/dbraw/zinc/48/98/62/1068489862.db2.gz BXQANDVJOPMMQN-BJKOFHAPSA-N -1 1 463.603 4.912 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCOCC3CC3)cc2)c(C)c1C ZINC001463793204 1068526298 /nfs/dbraw/zinc/52/62/98/1068526298.db2.gz BUAOKDUIZQZDBY-UHFFFAOYSA-N -1 1 458.624 4.576 20 0 JJADMM Cc1c(Br)scc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001463878230 1068554095 /nfs/dbraw/zinc/55/40/95/1068554095.db2.gz BWISRNSSDFVQSX-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM CCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC001463914483 1068564060 /nfs/dbraw/zinc/56/40/60/1068564060.db2.gz LMLDHIAYGCDZLR-UHFFFAOYSA-N -1 1 452.576 4.939 20 0 JJADMM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(I)ccc1[O-] ZINC001464006274 1068586689 /nfs/dbraw/zinc/58/66/89/1068586689.db2.gz YBEHPBVYTBALSO-QGZVFWFLSA-N -1 1 453.276 4.717 20 0 JJADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001464102714 1068616225 /nfs/dbraw/zinc/61/62/25/1068616225.db2.gz KBXASVGUMFRMNQ-RDTXWAMCSA-N -1 1 451.386 4.558 20 0 JJADMM O=C(/C=C/SCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001464165365 1068640497 /nfs/dbraw/zinc/64/04/97/1068640497.db2.gz QMHXVOSAOMBGBU-PKNBQFBNSA-N -1 1 450.488 4.744 20 0 JJADMM CCCCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC001464253491 1068676547 /nfs/dbraw/zinc/67/65/47/1068676547.db2.gz DCJSLUVJRDJHLO-UHFFFAOYSA-N -1 1 456.539 4.735 20 0 JJADMM CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001464252848 1068676670 /nfs/dbraw/zinc/67/66/70/1068676670.db2.gz CRXCSYFCHGDRAM-LLVKDONJSA-N -1 1 457.445 4.759 20 0 JJADMM CC1(C)CCC(C)([N-]S(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)CC1 ZINC001464255751 1068677733 /nfs/dbraw/zinc/67/77/33/1068677733.db2.gz NYGZGEWZZBGFDS-UHFFFAOYSA-N -1 1 451.770 4.587 20 0 JJADMM CC[C@@H]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(F)cc4)c3)sc2C1 ZINC001464336536 1068710664 /nfs/dbraw/zinc/71/06/64/1068710664.db2.gz OQAPIXHABMFSGU-CQSZACIVSA-N -1 1 459.568 4.850 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(C)cc(F)cc3C)cc2)cc1OC ZINC001464362319 1068719530 /nfs/dbraw/zinc/71/95/30/1068719530.db2.gz UPEXXXPJFPFILX-UHFFFAOYSA-N -1 1 458.511 4.513 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC001464448792 1068750018 /nfs/dbraw/zinc/75/00/18/1068750018.db2.gz FUQDXTGVGDVGAC-FQEVSTJZSA-N -1 1 456.420 4.706 20 0 JJADMM COc1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)ccc1C ZINC001464454130 1068752001 /nfs/dbraw/zinc/75/20/01/1068752001.db2.gz XDNCFZVIMPKOBD-UHFFFAOYSA-N -1 1 458.967 4.696 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)c2)cc1 ZINC001464594892 1068793723 /nfs/dbraw/zinc/79/37/23/1068793723.db2.gz IKMCCANUASTINJ-LJFZDNNRSA-N -1 1 458.624 4.934 20 0 JJADMM CC(C)(C)O[C@@H](C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC001464719484 1068837527 /nfs/dbraw/zinc/83/75/27/1068837527.db2.gz HFVUVMNTQRKOLY-HSZRJFAPSA-N -1 1 452.576 4.660 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc2ccc(Cl)cc2n1 ZINC001464723642 1068839136 /nfs/dbraw/zinc/83/91/36/1068839136.db2.gz RJJHGGYKDHCALL-UHFFFAOYSA-N -1 1 451.935 4.619 20 0 JJADMM CCOc1ccc(Cl)cc1CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001545861827 1064269730 /nfs/dbraw/zinc/26/97/30/1064269730.db2.gz RGSPVDUZBKFNFV-UHFFFAOYSA-N -1 1 458.967 4.512 20 0 JJADMM COc1ccc([C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c2ccccc2Cl)cc1 ZINC001435239133 1064618831 /nfs/dbraw/zinc/61/88/31/1064618831.db2.gz FTXOWIPDSNRPDJ-NRFANRHFSA-N -1 1 457.983 4.713 20 0 JJADMM CC(C)Cn1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1C(C)C ZINC001545901165 1065435806 /nfs/dbraw/zinc/43/58/06/1065435806.db2.gz DMYFDBDDZVRCLW-UHFFFAOYSA-N -1 1 458.559 4.855 20 0 JJADMM C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001360560157 1065550425 /nfs/dbraw/zinc/55/04/25/1065550425.db2.gz RPPZLCJHKQBFTF-KRWDZBQOSA-N -1 1 463.548 4.634 20 0 JJADMM CCOC(=O)c1[n-]c(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)nc1Cl ZINC001439498938 1065835325 /nfs/dbraw/zinc/83/53/25/1065835325.db2.gz NMUBIDDAXNSLJE-INIZCTEOSA-N -1 1 451.882 4.990 20 0 JJADMM COCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCCC1 ZINC001440389988 1065936859 /nfs/dbraw/zinc/93/68/59/1065936859.db2.gz UCFXKRWAMFLYNH-UHFFFAOYSA-N -1 1 450.988 4.985 20 0 JJADMM Cc1csc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1 ZINC001440410966 1065939148 /nfs/dbraw/zinc/93/91/48/1065939148.db2.gz GCWHOPUXDVYIBH-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)/C(C)=C\c1cccnc1 ZINC001440414167 1065939703 /nfs/dbraw/zinc/93/97/03/1065939703.db2.gz RVDUGTUOJOABMW-QINSGFPZSA-N -1 1 457.939 4.586 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCNc1ccccc1 ZINC001440414052 1065939727 /nfs/dbraw/zinc/93/97/27/1065939727.db2.gz RJSPVZQVGAPXGY-UHFFFAOYSA-N -1 1 459.955 4.590 20 0 JJADMM CS[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001440415662 1065939793 /nfs/dbraw/zinc/93/97/93/1065939793.db2.gz YBAQWBFRAXJTJE-CYBMUJFWSA-N -1 1 457.415 4.638 20 0 JJADMM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440498523 1065944507 /nfs/dbraw/zinc/94/45/07/1065944507.db2.gz KOAZSGROSXKDOJ-QMHKHESXSA-N -1 1 458.967 4.634 20 0 JJADMM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440498509 1065944696 /nfs/dbraw/zinc/94/46/96/1065944696.db2.gz KOAZSGROSXKDOJ-HJPURHCSSA-N -1 1 458.967 4.634 20 0 JJADMM O=Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c(Cl)s1 ZINC001440494878 1065944731 /nfs/dbraw/zinc/94/47/31/1065944731.db2.gz BPMXCZSIQLDAAW-UHFFFAOYSA-N -1 1 455.344 4.921 20 0 JJADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)O1 ZINC001440520892 1065946786 /nfs/dbraw/zinc/94/67/86/1065946786.db2.gz LFAVEMOTTFQEKA-KSSFIOAISA-N -1 1 456.486 4.792 20 0 JJADMM C[C@H](CSC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001440561860 1065949603 /nfs/dbraw/zinc/94/96/03/1065949603.db2.gz GILAAIIECASJNE-LLVKDONJSA-N -1 1 452.907 4.968 20 0 JJADMM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c1)CC2 ZINC001440576060 1065951279 /nfs/dbraw/zinc/95/12/79/1065951279.db2.gz FVXGDOYUIXZYSN-JOCHJYFZSA-N -1 1 450.560 4.781 20 0 JJADMM Cc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001440683854 1065965957 /nfs/dbraw/zinc/96/59/57/1065965957.db2.gz QZIWVNFZQVEDES-UHFFFAOYSA-N -1 1 450.495 4.577 20 0 JJADMM Cc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC001440707547 1065968455 /nfs/dbraw/zinc/96/84/55/1065968455.db2.gz FKHJAZDXMREABN-UHFFFAOYSA-N -1 1 452.576 4.612 20 0 JJADMM Cc1cccc(OCCCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC001440711335 1065969428 /nfs/dbraw/zinc/96/94/28/1065969428.db2.gz UVKYBGWHKBQYCM-UHFFFAOYSA-N -1 1 458.967 4.648 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1coc(-c2c(F)cccc2F)n1 ZINC001440830394 1065982421 /nfs/dbraw/zinc/98/24/21/1065982421.db2.gz ISFVSLDKGXEEJB-UHFFFAOYSA-N -1 1 455.442 4.673 20 0 JJADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)cc1 ZINC001440832629 1065983223 /nfs/dbraw/zinc/98/32/23/1065983223.db2.gz LCMZWGUVSSBRIG-OAHLLOKOSA-N -1 1 459.365 4.992 20 0 JJADMM COc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C(C)C)cc1 ZINC001440835624 1065983300 /nfs/dbraw/zinc/98/33/00/1065983300.db2.gz UVSNTWBHESDBLM-QHCPKHFHSA-N -1 1 456.539 4.762 20 0 JJADMM COc1cccc([C@H](CNC(=O)c2cc(C)cc(C=O)c2[O-])c2c[nH]c3ccccc32)c1OC ZINC001440893838 1065991019 /nfs/dbraw/zinc/99/10/19/1065991019.db2.gz LOSYHEHLKQIGOV-QFIPXVFZSA-N -1 1 458.514 4.574 20 0 JJADMM O=C(NCC1(Cc2ccccc2)CC1)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001545937373 1066000501 /nfs/dbraw/zinc/00/05/01/1066000501.db2.gz LLJFPLWFIMSSFA-UHFFFAOYSA-N -1 1 456.514 4.518 20 0 JJADMM COc1ccc([C@H](C)N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC001441017024 1066000998 /nfs/dbraw/zinc/00/09/98/1066000998.db2.gz UAZBLMUJUADJLV-IBGZPJMESA-N -1 1 452.576 4.946 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)cc2)cc1 ZINC001441019584 1066001320 /nfs/dbraw/zinc/00/13/20/1066001320.db2.gz URTMPFZGMDFFSF-UHFFFAOYSA-N -1 1 452.576 4.892 20 0 JJADMM C[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC001441173208 1066011689 /nfs/dbraw/zinc/01/16/89/1066011689.db2.gz RBGJBWBNXRUWPP-LBPRGKRZSA-N -1 1 454.324 4.542 20 0 JJADMM CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1[O-] ZINC001441239528 1066018657 /nfs/dbraw/zinc/01/86/57/1066018657.db2.gz LKQRMBJXPITFHL-MRXNPFEDSA-N -1 1 457.741 4.994 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(OC(F)(F)Cl)cc1 ZINC001441347494 1066031386 /nfs/dbraw/zinc/03/13/86/1066031386.db2.gz LLPZWAWEYSWQQW-UHFFFAOYSA-N -1 1 452.866 4.908 20 0 JJADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ncsc1Nc1ccccc1 ZINC001441351483 1066032035 /nfs/dbraw/zinc/03/20/35/1066032035.db2.gz WNOROANSAWGZBG-UHFFFAOYSA-N -1 1 450.545 4.940 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC001441407523 1066038928 /nfs/dbraw/zinc/03/89/28/1066038928.db2.gz SEKUKBDSXGOAHO-UHFFFAOYSA-N -1 1 458.952 4.845 20 0 JJADMM Cc1ccc(NC(=O)c2ccc(-c3csnn3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001441428929 1066040965 /nfs/dbraw/zinc/04/09/65/1066040965.db2.gz ZMUUVDPXUSUHJV-UHFFFAOYSA-N -1 1 450.545 4.567 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(cnn4C(F)F)c3)cc2)cc1 ZINC001545941796 1066041687 /nfs/dbraw/zinc/04/16/87/1066041687.db2.gz ADDKQQRBIVYUCC-UHFFFAOYSA-N -1 1 456.474 4.793 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC001441741470 1066066027 /nfs/dbraw/zinc/06/60/27/1066066027.db2.gz LCSHDRLDJULMHK-QHCPKHFHSA-N -1 1 452.551 4.864 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)nc3)c2)cc1 ZINC001441750145 1066067884 /nfs/dbraw/zinc/06/78/84/1066067884.db2.gz QGGFXDPRDDRUBZ-UHFFFAOYSA-N -1 1 457.983 4.808 20 0 JJADMM CC1CCC(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)CC1 ZINC001441883788 1066077216 /nfs/dbraw/zinc/07/72/16/1066077216.db2.gz MCPJCLDZIPELEE-UHFFFAOYSA-N -1 1 454.951 4.814 20 0 JJADMM O=C(Cc1ccc(Cl)cn1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001441888117 1066078829 /nfs/dbraw/zinc/07/88/29/1066078829.db2.gz TVJRFUHNRXQGNZ-UHFFFAOYSA-N -1 1 454.310 4.510 20 0 JJADMM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(I)cc2[O-])cc1 ZINC001441892943 1066079595 /nfs/dbraw/zinc/07/95/95/1066079595.db2.gz OTTBZLVPFOHQSS-CQSZACIVSA-N -1 1 453.320 4.535 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccc(OCC(C)C)c3)c2)cc1 ZINC001442115583 1066096028 /nfs/dbraw/zinc/09/60/28/1066096028.db2.gz BIPVRJCPADFETM-UHFFFAOYSA-N -1 1 452.576 4.761 20 0 JJADMM CC[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1nc(-c2ccccc2)c[nH]1 ZINC001442306111 1066115355 /nfs/dbraw/zinc/11/53/55/1066115355.db2.gz INVHZQNDTLEMEC-MRXNPFEDSA-N -1 1 451.324 4.974 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)OC(C)(C)C3)ccc2C)cc1 ZINC001442392979 1066123051 /nfs/dbraw/zinc/12/30/51/1066123051.db2.gz DPTJBZONHBDMRJ-LJQANCHMSA-N -1 1 458.624 4.778 20 0 JJADMM CC(C)(C)OCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC001442429386 1066126784 /nfs/dbraw/zinc/12/67/84/1066126784.db2.gz IVDBIKFBAGYYSA-UHFFFAOYSA-N -1 1 452.576 4.699 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC001442544351 1066135153 /nfs/dbraw/zinc/13/51/53/1066135153.db2.gz HZYCMHLCPUXYPE-SJORKVTESA-N -1 1 453.377 4.549 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC001442544343 1066135196 /nfs/dbraw/zinc/13/51/96/1066135196.db2.gz HZYCMHLCPUXYPE-DLBZAZTESA-N -1 1 453.377 4.549 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC001442544345 1066135219 /nfs/dbraw/zinc/13/52/19/1066135219.db2.gz HZYCMHLCPUXYPE-IAGOWNOFSA-N -1 1 453.377 4.549 20 0 JJADMM Cc1nc2ccccc2c(C)c1C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001443019186 1066254184 /nfs/dbraw/zinc/25/41/84/1066254184.db2.gz CPNKNFYUDQXCCY-UHFFFAOYSA-N -1 1 459.571 4.925 20 0 JJADMM CCOc1cc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1[O-] ZINC001454266732 1066260832 /nfs/dbraw/zinc/26/08/32/1066260832.db2.gz LJXPYYICIGLTHY-HSZRJFAPSA-N -1 1 451.950 4.985 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](CC)Cc3ccccc3)c2)cc1 ZINC001443060609 1066261900 /nfs/dbraw/zinc/26/19/00/1066261900.db2.gz BSZIRPMJFLGNFX-OAQYLSRUSA-N -1 1 452.576 4.637 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3([C@H]4CCCCO4)CCC3)ccc2C)c1 ZINC001454271726 1066262217 /nfs/dbraw/zinc/26/22/17/1066262217.db2.gz XOXPZTIHVVXLGK-HSZRJFAPSA-N -1 1 456.608 4.573 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2(O)CCCC(C)(C)CC2)c1 ZINC001454689582 1066320072 /nfs/dbraw/zinc/32/00/72/1066320072.db2.gz KISRIUYJGQCLCC-RUZDIDTESA-N -1 1 458.624 4.555 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)C(F)(F)CC)cc2)cc1 ZINC001454693148 1066320600 /nfs/dbraw/zinc/32/06/00/1066320600.db2.gz VMTCBHJUMFDROZ-UHFFFAOYSA-N -1 1 454.539 4.687 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)c2)cc1 ZINC001454691898 1066320669 /nfs/dbraw/zinc/32/06/69/1066320669.db2.gz WRDAFSDLPUNWJU-DNQXCXABSA-N -1 1 450.560 4.562 20 0 JJADMM O=C(Nc1cccc(F)c1O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001454759598 1066331059 /nfs/dbraw/zinc/33/10/59/1066331059.db2.gz VWYAPFRWMRZILS-UHFFFAOYSA-N -1 1 454.401 4.603 20 0 JJADMM COc1ccc2oc([C@H](C)NC(=O)c3ccc(I)cc3[O-])c(C)c2c1 ZINC001443579539 1066331745 /nfs/dbraw/zinc/33/17/45/1066331745.db2.gz MXZQJPNKMHDGHB-NSHDSACASA-N -1 1 451.260 4.551 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CC=CC[C@H]3C(F)(F)F)ccc2C)cc1 ZINC001454877011 1066337662 /nfs/dbraw/zinc/33/76/62/1066337662.db2.gz GACQPSFNUHKQRI-AZUAARDMSA-N -1 1 466.525 4.979 20 0 JJADMM COC(C)(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl ZINC001454948408 1066344968 /nfs/dbraw/zinc/34/49/68/1066344968.db2.gz VJBMBEVNXVGNJI-UHFFFAOYSA-N -1 1 459.395 4.648 20 0 JJADMM CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001443698916 1066352789 /nfs/dbraw/zinc/35/27/89/1066352789.db2.gz JJBPJDDNEXZSQR-IBGZPJMESA-N -1 1 451.792 4.646 20 0 JJADMM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC001455009923 1066353022 /nfs/dbraw/zinc/35/30/22/1066353022.db2.gz OSGRXYLBGCCSJG-GOSISDBHSA-N -1 1 453.564 4.929 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4ccsc4[C@H]3C)cc2)cc1 ZINC001455291614 1066381018 /nfs/dbraw/zinc/38/10/18/1066381018.db2.gz CMIBUVDFPOPOAC-MRXNPFEDSA-N -1 1 456.589 4.707 20 0 JJADMM COc1nscc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001455353505 1066384556 /nfs/dbraw/zinc/38/45/56/1066384556.db2.gz QDPSASGALFUYDI-UHFFFAOYSA-N -1 1 459.593 4.811 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(F)cc3C)c2)cc1 ZINC001455545848 1066409605 /nfs/dbraw/zinc/40/96/05/1066409605.db2.gz PPDIJTDNWNJJFR-KRWDZBQOSA-N -1 1 456.539 4.825 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)ccc2C)c1 ZINC001444126452 1066410270 /nfs/dbraw/zinc/41/02/70/1066410270.db2.gz WRSKCAFHEJUYFW-OFNKIYASSA-N -1 1 458.624 4.675 20 0 JJADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@@H]1c1ccccc1 ZINC001455646275 1066419083 /nfs/dbraw/zinc/41/90/83/1066419083.db2.gz CZDBPMXKJAAESW-MWTRTKDXSA-N -1 1 456.514 4.989 20 0 JJADMM O=C(Nc1ccc(COCc2ccccc2)cc1)c1ccc(I)c([O-])c1 ZINC001444270817 1066441215 /nfs/dbraw/zinc/44/12/15/1066441215.db2.gz BWZOWXNUPHZWRK-UHFFFAOYSA-N -1 1 459.283 4.966 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](CC)c3ccncc3)c2)cc1 ZINC001444364586 1066455323 /nfs/dbraw/zinc/45/53/23/1066455323.db2.gz QDXBVCBNNSZWDP-QHCPKHFHSA-N -1 1 453.564 4.504 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC001444389330 1066456684 /nfs/dbraw/zinc/45/66/84/1066456684.db2.gz LWBSCEYNLHYCJF-UHFFFAOYSA-N -1 1 456.514 4.536 20 0 JJADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2F)C1 ZINC001444808072 1066507213 /nfs/dbraw/zinc/50/72/13/1066507213.db2.gz IWGJRZBBCYGUJG-IRXDYDNUSA-N -1 1 454.564 4.512 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)ccc2C)c1 ZINC001444850298 1066511953 /nfs/dbraw/zinc/51/19/53/1066511953.db2.gz AWMQKDUIVTVTKQ-QGZVFWFLSA-N -1 1 454.523 4.671 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](C)Sc3ccccc3)cc2)ccc1F ZINC001445000036 1066528413 /nfs/dbraw/zinc/52/84/13/1066528413.db2.gz RMFZAQDPUMYHKM-KRWDZBQOSA-N -1 1 458.580 4.846 20 0 JJADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000515 1066528861 /nfs/dbraw/zinc/52/88/61/1066528861.db2.gz MUSXTOBGCLRFIY-XZOQPEGZSA-N -1 1 456.608 4.687 20 0 JJADMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001456199217 1066535710 /nfs/dbraw/zinc/53/57/10/1066535710.db2.gz VCWQZOVMJHDQQI-UHFFFAOYSA-N -1 1 459.802 4.560 20 0 JJADMM Cc1ccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CC(F)(F)c2ccccc2)o1 ZINC001361205737 1066537488 /nfs/dbraw/zinc/53/74/88/1066537488.db2.gz QXIKFZVYOWURSG-UHFFFAOYSA-N -1 1 497.468 4.533 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)cc1 ZINC001445166279 1066542394 /nfs/dbraw/zinc/54/23/94/1066542394.db2.gz RPFNKWZNLGIUNW-ROUUACIJSA-N -1 1 450.560 4.612 20 0 JJADMM CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001445229509 1066547746 /nfs/dbraw/zinc/54/77/46/1066547746.db2.gz ZSCYHZJPCNHEIX-UHFFFAOYSA-N -1 1 459.518 4.767 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](c3cccnc3)C(C)C)cc2)c1 ZINC001445288215 1066554385 /nfs/dbraw/zinc/55/43/85/1066554385.db2.gz NJKMIDQDYOQPCV-QHCPKHFHSA-N -1 1 451.592 4.669 20 0 JJADMM CCCCCn1nc(C)cc1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001445296403 1066555997 /nfs/dbraw/zinc/55/59/97/1066555997.db2.gz WEXIAMDQIFEYHJ-UHFFFAOYSA-N -1 1 451.752 4.891 20 0 JJADMM CC[C@@H](CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)Oc1ccccc1Cl ZINC001445329091 1066557798 /nfs/dbraw/zinc/55/77/98/1066557798.db2.gz VKHBBYXFIDDUHT-IBGZPJMESA-N -1 1 458.967 4.728 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC4(C3)CO[C@@H](C)C4)c2)cc1 ZINC001456302218 1066558548 /nfs/dbraw/zinc/55/85/48/1066558548.db2.gz KIUZGLUIXHMWOI-SIPIWMQHSA-N -1 1 456.608 4.517 20 0 JJADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001445443896 1066572781 /nfs/dbraw/zinc/57/27/81/1066572781.db2.gz ULWXXJZNBLQBRO-INIZCTEOSA-N -1 1 456.951 4.877 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3(OC(C)C)CCCCC3)c2)c1 ZINC001445588774 1066592118 /nfs/dbraw/zinc/59/21/18/1066592118.db2.gz CPHHVYRMTCQLHB-UHFFFAOYSA-N -1 1 458.624 4.962 20 0 JJADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC001445649156 1066597799 /nfs/dbraw/zinc/59/77/99/1066597799.db2.gz NDWQHTBDCVJIIX-UHFFFAOYSA-N -1 1 456.258 4.909 20 0 JJADMM CC1(C)C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c2ccccc21 ZINC001445720698 1066611240 /nfs/dbraw/zinc/61/12/40/1066611240.db2.gz LUXCINBHTKORSL-JOCHJYFZSA-N -1 1 456.514 4.918 20 0 JJADMM COc1cccc([C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c2ccccc2Cl)c1 ZINC001456524986 1066612369 /nfs/dbraw/zinc/61/23/69/1066612369.db2.gz RYGLYZKRECUHJJ-NRFANRHFSA-N -1 1 457.983 4.713 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3COc4c3cccc4Cl)c2)c1 ZINC001445784161 1066616739 /nfs/dbraw/zinc/61/67/39/1066616739.db2.gz KVBCDCGNYFXGRI-HXUWFJFHSA-N -1 1 456.951 4.621 20 0 JJADMM O=C(NCc1ccc(O)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC001445937136 1066637400 /nfs/dbraw/zinc/63/74/00/1066637400.db2.gz JHAXWWHSWQLRRP-UHFFFAOYSA-N -1 1 458.539 4.790 20 0 JJADMM O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001445996058 1066642500 /nfs/dbraw/zinc/64/25/00/1066642500.db2.gz DKARXOCXWSKZGT-UHFFFAOYSA-N -1 1 452.551 4.753 20 0 JJADMM CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001445996322 1066643079 /nfs/dbraw/zinc/64/30/79/1066643079.db2.gz KMFCEMCPKSAVBV-QGZVFWFLSA-N -1 1 456.539 4.734 20 0 JJADMM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001445996535 1066643241 /nfs/dbraw/zinc/64/32/41/1066643241.db2.gz MVNJXAQUCDWTEV-SFHVURJKSA-N -1 1 454.567 4.999 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCC[C@@H]3CC)c2)cc1 ZINC001446162223 1066667435 /nfs/dbraw/zinc/66/74/35/1066667435.db2.gz VGTFSBQWVSATOJ-BTYIYWSLSA-N -1 1 450.988 4.848 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCC[C@@H]3CC)c2)cc1 ZINC001446162238 1066668203 /nfs/dbraw/zinc/66/82/03/1066668203.db2.gz VGTFSBQWVSATOJ-YCRPNKLZSA-N -1 1 450.988 4.848 20 0 JJADMM COC(=O)CCCc1nnc([N-]C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)s1 ZINC001456782808 1066689429 /nfs/dbraw/zinc/68/94/29/1066689429.db2.gz HYBIWAKMUBAQQU-UHFFFAOYSA-N -1 1 457.364 4.716 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3n[nH]c4c3cccc4Cl)c2)c1 ZINC001446504717 1066711761 /nfs/dbraw/zinc/71/17/61/1066711761.db2.gz VGHYVERXXLOSNM-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM COC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCCCCC1 ZINC001456920417 1066722217 /nfs/dbraw/zinc/72/22/17/1066722217.db2.gz YEDDELCGSGIIHF-UHFFFAOYSA-N -1 1 450.988 4.610 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cc(F)ccc1Cl ZINC001446705630 1066732225 /nfs/dbraw/zinc/73/22/25/1066732225.db2.gz DJNSAXHPARDICN-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccnc2ccccc21 ZINC001446709242 1066733140 /nfs/dbraw/zinc/73/31/40/1066733140.db2.gz JIWBZHRBHYAHRJ-UHFFFAOYSA-N -1 1 453.907 4.647 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCO[C@H](C)C2)cc1 ZINC001446906033 1066755344 /nfs/dbraw/zinc/75/53/44/1066755344.db2.gz DJLUZKNLZJFCHG-RTBURBONSA-N -1 1 458.624 4.638 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)cc1 ZINC001447102478 1066773220 /nfs/dbraw/zinc/77/32/20/1066773220.db2.gz LDMLDXNRSJSJCQ-UHFFFAOYSA-N -1 1 458.942 4.787 20 0 JJADMM Cc1ccc(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457201807 1066787706 /nfs/dbraw/zinc/78/77/06/1066787706.db2.gz SAMRHBVRHSYFMV-NHCUHLMSSA-N -1 1 452.551 4.544 20 0 JJADMM COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Br)cc2[O-])c1 ZINC001447306577 1066789927 /nfs/dbraw/zinc/78/99/27/1066789927.db2.gz IOBOFWANJNVDRM-QFIPXVFZSA-N -1 1 456.336 4.539 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC001447333080 1066794466 /nfs/dbraw/zinc/79/44/66/1066794466.db2.gz GGZFMKCLRVFCBW-UHFFFAOYSA-N -1 1 452.551 4.869 20 0 JJADMM Cc1nc(Cc2nnc(N3CCC(C(=O)c4ccc([O-])cc4)CC3)n2CCCC(C)C)cs1 ZINC001492671918 1066803933 /nfs/dbraw/zinc/80/39/33/1066803933.db2.gz IWKNGHHCTWIMMH-UHFFFAOYSA-N -1 1 467.639 4.875 20 0 JJADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)C2)c1 ZINC001447626495 1066830969 /nfs/dbraw/zinc/83/09/69/1066830969.db2.gz BPWIHPAFXPXELK-LJQANCHMSA-N -1 1 456.514 4.704 20 0 JJADMM CC(C)(C)OC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(F)ccc3[O-])CC2)Oc2ccccc21 ZINC001457430020 1066830956 /nfs/dbraw/zinc/83/09/56/1066830956.db2.gz SKHWFQQOYWMSDY-IBGZPJMESA-N -1 1 456.514 4.555 20 0 JJADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)cn1 ZINC001447790542 1066858269 /nfs/dbraw/zinc/85/82/69/1066858269.db2.gz AMCRRXGCAJJDCP-CYBMUJFWSA-N -1 1 450.347 4.680 20 0 JJADMM CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC001457571303 1066867207 /nfs/dbraw/zinc/86/72/07/1066867207.db2.gz ATOYOUOOUQKXLR-IBGZPJMESA-N -1 1 459.974 4.846 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C(C)(C)O)c3)c2)c1 ZINC001447924390 1066877360 /nfs/dbraw/zinc/87/73/60/1066877360.db2.gz JHFFWICAAABYMW-UHFFFAOYSA-N -1 1 458.967 4.929 20 0 JJADMM COc1cccc2c1CC[C@@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457692747 1066899011 /nfs/dbraw/zinc/89/90/11/1066899011.db2.gz OPLZEGOPRKJTMA-NRFANRHFSA-N -1 1 456.951 4.567 20 0 JJADMM Cc1nsc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)n1 ZINC001457697485 1066899523 /nfs/dbraw/zinc/89/95/23/1066899523.db2.gz SRNJYYARWYCJSD-UHFFFAOYSA-N -1 1 450.545 4.567 20 0 JJADMM CC(C)(C)OC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC1 ZINC001457708881 1066901249 /nfs/dbraw/zinc/90/12/49/1066901249.db2.gz UZBGXAXVZQVIMF-UHFFFAOYSA-N -1 1 450.988 4.561 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc4cccc(Cl)c4n3C)c2)cc1 ZINC001457744344 1066909443 /nfs/dbraw/zinc/90/94/43/1066909443.db2.gz GCJPIVXRFZILIP-UHFFFAOYSA-N -1 1 454.939 4.588 20 0 JJADMM CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001448226489 1066910661 /nfs/dbraw/zinc/91/06/61/1066910661.db2.gz NQENQAAUTJKQPZ-NSHDSACASA-N -1 1 451.310 4.709 20 0 JJADMM O=C(Cc1cccc(C(F)(F)F)n1)Nc1cc([O-])c(Br)cc1Br ZINC001457788097 1066920259 /nfs/dbraw/zinc/92/02/59/1066920259.db2.gz QEWJHAIKYLPSNF-UHFFFAOYSA-N -1 1 454.040 4.512 20 0 JJADMM Cc1ccccc1CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC001457911177 1066940476 /nfs/dbraw/zinc/94/04/76/1066940476.db2.gz STIQMAQKNLNAJN-UHFFFAOYSA-N -1 1 454.567 4.994 20 0 JJADMM C[C@H]1CSCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001449007267 1066976693 /nfs/dbraw/zinc/97/66/93/1066976693.db2.gz GPXXJHSOGDEQJU-CYBMUJFWSA-N -1 1 459.420 4.619 20 0 JJADMM Cc1nc2c(cccc2NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)o1 ZINC001449473394 1067010933 /nfs/dbraw/zinc/01/09/33/1067010933.db2.gz WUAWZTJDECYKNJ-UHFFFAOYSA-N -1 1 459.886 4.982 20 0 JJADMM CCCCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCCC[C@H]1OC ZINC001449540105 1067014025 /nfs/dbraw/zinc/01/40/25/1067014025.db2.gz HRTYEGMHBVRVKJ-DHIUTWEWSA-N -1 1 480.577 4.966 20 0 JJADMM CC[C@@H](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908049 1067036957 /nfs/dbraw/zinc/03/69/57/1067036957.db2.gz AYIRHNSGSSSJEU-BFUOFWGJSA-N -1 1 459.395 4.585 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC001450009408 1067041559 /nfs/dbraw/zinc/04/15/59/1067041559.db2.gz SQJHDLJHVGCNPU-CABCVRRESA-N -1 1 458.477 4.738 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C(F)(F)F)C[C@@H]3C)c2)c1 ZINC001450011067 1067041705 /nfs/dbraw/zinc/04/17/05/1067041705.db2.gz UJFZWKRYOPVKJQ-WMZOPIPTSA-N -1 1 454.514 4.907 20 0 JJADMM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450027007 1067042646 /nfs/dbraw/zinc/04/26/46/1067042646.db2.gz WALGPCFSFKJXQE-LJQANCHMSA-N -1 1 452.429 4.502 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC001450065345 1067046397 /nfs/dbraw/zinc/04/63/97/1067046397.db2.gz MIOVTRRHBUFLMS-JOCHJYFZSA-N -1 1 453.539 4.553 20 0 JJADMM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001450161115 1067056555 /nfs/dbraw/zinc/05/65/55/1067056555.db2.gz ZXKBICXXAOKRBT-LJQANCHMSA-N -1 1 455.480 4.512 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)c3ccccc3C)cc2)cc1 ZINC001450165463 1067056813 /nfs/dbraw/zinc/05/68/13/1067056813.db2.gz YVCDOEHLWUFAPE-UHFFFAOYSA-N -1 1 452.576 4.860 20 0 JJADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001450360162 1067073387 /nfs/dbraw/zinc/07/33/87/1067073387.db2.gz PHEVNONADCCXQK-GOSISDBHSA-N -1 1 456.951 4.897 20 0 JJADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450363028 1067073708 /nfs/dbraw/zinc/07/37/08/1067073708.db2.gz VQXDPPIVZJOIQQ-KRWDZBQOSA-N -1 1 458.486 4.522 20 0 JJADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001450589288 1067092186 /nfs/dbraw/zinc/09/21/86/1067092186.db2.gz NGAHPZUMKGVWDM-HZPDHXFCSA-N -1 1 452.523 4.596 20 0 JJADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001450598365 1067093171 /nfs/dbraw/zinc/09/31/71/1067093171.db2.gz WJFLYDXGIFEXIC-IAGOWNOFSA-N -1 1 450.988 4.971 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccnn3[C@H](C)CC(C)C)c2)cc1 ZINC001450692283 1067104065 /nfs/dbraw/zinc/10/40/65/1067104065.db2.gz PXGFVLMCJGOBQU-QGZVFWFLSA-N -1 1 456.568 4.552 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccnn3[C@H](C)CC(C)C)c2)cc1F ZINC001450698831 1067106167 /nfs/dbraw/zinc/10/61/67/1067106167.db2.gz ZDYDRAHFXIBXQR-QGZVFWFLSA-N -1 1 458.559 4.991 20 0 JJADMM Cc1ccc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001450729847 1067112205 /nfs/dbraw/zinc/11/22/05/1067112205.db2.gz NNKJCHWRTIIJFN-OYHNWAKOSA-N -1 1 456.951 4.701 20 0 JJADMM CC(C)CC1(C)CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)CC1 ZINC001450745991 1067114970 /nfs/dbraw/zinc/11/49/70/1067114970.db2.gz WUWBGGVKVNVCCU-UHFFFAOYSA-N -1 1 458.580 4.505 20 0 JJADMM CCOC(=O)c1c[n-]c(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)n1 ZINC001450907376 1067135395 /nfs/dbraw/zinc/13/53/95/1067135395.db2.gz BMCPISGJGOJNBK-UHFFFAOYSA-N -1 1 452.898 4.526 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1C ZINC001451142094 1067149407 /nfs/dbraw/zinc/14/94/07/1067149407.db2.gz AQEJFLFWVYFRAU-HXUWFJFHSA-N -1 1 451.592 4.640 20 0 JJADMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)s1 ZINC001451207824 1067153978 /nfs/dbraw/zinc/15/39/78/1067153978.db2.gz GACRIZBNVJWMKW-UHFFFAOYSA-N -1 1 458.561 4.513 20 0 JJADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001545820963 1067160470 /nfs/dbraw/zinc/16/04/70/1067160470.db2.gz OEMQTESXSQFTBW-UHFFFAOYSA-N -1 1 458.849 4.501 20 0 JJADMM COCC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl ZINC001451508096 1067175200 /nfs/dbraw/zinc/17/52/00/1067175200.db2.gz QZGJUJGOCYJKKY-CYBMUJFWSA-N -1 1 459.395 4.505 20 0 JJADMM Cc1nc([C@@H](C)Sc2nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3o2)no1 ZINC001458865712 1067178337 /nfs/dbraw/zinc/17/83/37/1067178337.db2.gz GDUIWHYVPWFOFP-SNVBAGLBSA-N -1 1 450.929 4.827 20 0 JJADMM CC(C)COC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC001458866131 1067179084 /nfs/dbraw/zinc/17/90/84/1067179084.db2.gz HTLGGVYWACBJOH-UHFFFAOYSA-N -1 1 454.957 4.573 20 0 JJADMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1Cl ZINC001451640804 1067181852 /nfs/dbraw/zinc/18/18/52/1067181852.db2.gz RUEAASLBPGBRJK-UHFFFAOYSA-N -1 1 458.967 4.730 20 0 JJADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC001451657633 1067183886 /nfs/dbraw/zinc/18/38/86/1067183886.db2.gz VGXVHYJCNSKZQT-UHFFFAOYSA-N -1 1 452.551 4.676 20 0 JJADMM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001452089486 1067206503 /nfs/dbraw/zinc/20/65/03/1067206503.db2.gz ZPDSAGZPPDXEFZ-VWLOTQADSA-N -1 1 452.551 4.864 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC1(c2cccc(F)c2)CCC1 ZINC001452111668 1067207707 /nfs/dbraw/zinc/20/77/07/1067207707.db2.gz UUJQWUJOYMEUQT-UHFFFAOYSA-N -1 1 456.514 4.883 20 0 JJADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452172713 1067211689 /nfs/dbraw/zinc/21/16/89/1067211689.db2.gz AQSFJTNZVDROKQ-HNNXBMFYSA-N -1 1 453.791 4.579 20 0 JJADMM Cc1cc(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)sc1-c1ccc(F)cc1 ZINC001452444781 1067224420 /nfs/dbraw/zinc/22/44/20/1067224420.db2.gz WGXIAPUGFYNKQF-UHFFFAOYSA-N -1 1 459.296 4.566 20 0 JJADMM CCOC(=O)c1c(C[C@@H](C)CC)c(C)sc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC001459012650 1067228765 /nfs/dbraw/zinc/22/87/65/1067228765.db2.gz AWIUNWLCLHEUBL-NSHDSACASA-N -1 1 451.614 4.665 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC001452659525 1067242015 /nfs/dbraw/zinc/24/20/15/1067242015.db2.gz DUIIQLIAZFMHJN-FQEVSTJZSA-N -1 1 456.608 4.668 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC[C@H]3CC3(Cl)Cl)cc2)cc1C ZINC001452690919 1067244468 /nfs/dbraw/zinc/24/44/68/1067244468.db2.gz KLWMWQFWVDVUGW-KRWDZBQOSA-N -1 1 455.407 4.808 20 0 JJADMM Cc1cnc(SCC(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[n-]c1=O ZINC001459089461 1067249364 /nfs/dbraw/zinc/24/93/64/1067249364.db2.gz CZOFDTFBXKBTRB-WRWLIDTKSA-N -1 1 457.596 4.839 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)c1 ZINC001546106865 1067265673 /nfs/dbraw/zinc/26/56/73/1067265673.db2.gz PGAVAZVPHLJFDS-IBGZPJMESA-N -1 1 453.004 4.845 20 0 JJADMM CCC[C@H](C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001452969398 1067269705 /nfs/dbraw/zinc/26/97/05/1067269705.db2.gz ZSZQXIRWTPLZFQ-ZJOUEHCJSA-N -1 1 480.502 4.781 20 0 JJADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1F ZINC001453000006 1067273880 /nfs/dbraw/zinc/27/38/80/1067273880.db2.gz VFMVLHMWSFLICZ-JOCHJYFZSA-N -1 1 454.523 4.612 20 0 JJADMM O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)c([O-])c1)c1cc(F)cc(F)c1 ZINC001453009299 1067274326 /nfs/dbraw/zinc/27/43/26/1067274326.db2.gz LGEORDOKHQEZFW-JOCHJYFZSA-N -1 1 452.457 4.935 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)[C@H](O)CCCC4)c2)c1 ZINC001453017022 1067274478 /nfs/dbraw/zinc/27/44/78/1067274478.db2.gz SQELZXJFWMQBPM-XMMPIXPASA-N -1 1 450.560 4.808 20 0 JJADMM C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001453036922 1067275579 /nfs/dbraw/zinc/27/55/79/1067275579.db2.gz UFOCZXZFMXEPBP-RCDICMHDSA-N -1 1 470.319 4.829 20 0 JJADMM CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453134003 1067282713 /nfs/dbraw/zinc/28/27/13/1067282713.db2.gz VPAPDZSDOYTTGE-COPCDDAFSA-N -1 1 464.503 4.766 20 0 JJADMM Cc1cccn2c(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)cnc12 ZINC001453390492 1067302495 /nfs/dbraw/zinc/30/24/95/1067302495.db2.gz NQFFCYSRYVDKGM-UHFFFAOYSA-N -1 1 454.939 4.658 20 0 JJADMM Cc1ccc(C(C)(C)CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)nc1 ZINC001453438376 1067306779 /nfs/dbraw/zinc/30/67/79/1067306779.db2.gz WMMCHYNXFJLVKH-UHFFFAOYSA-N -1 1 451.592 4.515 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H]([C@H]4CCCCO4)C3)ccc2C)c1 ZINC001453532289 1067311264 /nfs/dbraw/zinc/31/12/64/1067311264.db2.gz AUEFDPMJQMIDRI-JTHBVZDNSA-N -1 1 456.608 4.526 20 0 JJADMM O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001453547890 1067313302 /nfs/dbraw/zinc/31/33/02/1067313302.db2.gz FMRDYFGKVVMRIJ-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM Cc1ccc(C(=O)N[C@H]2CCc3ccc(O)cc32)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001453643371 1067320545 /nfs/dbraw/zinc/32/05/45/1067320545.db2.gz QKHRZWHYGPRJRZ-NRFANRHFSA-N -1 1 456.951 4.572 20 0 JJADMM COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c2ccccc12 ZINC001453672953 1067321442 /nfs/dbraw/zinc/32/14/42/1067321442.db2.gz WVEACRAVHSYXCG-DYESRHJHSA-N -1 1 456.464 4.525 20 0 JJADMM O=C(CCc1ccc2ccccc2c1O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453687064 1067322874 /nfs/dbraw/zinc/32/28/74/1067322874.db2.gz YXFNMCONAWZFHD-IFMALSPDSA-N -1 1 470.491 4.541 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)c2)c1 ZINC001453811454 1067330093 /nfs/dbraw/zinc/33/00/93/1067330093.db2.gz JDBZBMGLLGDEDA-SFHVURJKSA-N -1 1 450.560 4.612 20 0 JJADMM O=C(CN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 ZINC001460466268 1067639087 /nfs/dbraw/zinc/63/90/87/1067639087.db2.gz ZAVBDFDJDQMOKW-ISKFKSNPSA-N -1 1 481.518 4.829 20 0 JJADMM CCc1cc2c(CC(=O)N3c4ccccc4C[C@H]3C[N-]C(=O)C(F)(F)F)csc2s1 ZINC001461028753 1067765057 /nfs/dbraw/zinc/76/50/57/1067765057.db2.gz ZRGXGZZSBSEALJ-AWEZNQCLSA-N -1 1 452.523 4.704 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(N(C)C)ccn3)c2)cc1 ZINC001546133168 1068131405 /nfs/dbraw/zinc/13/14/05/1068131405.db2.gz HJVOGFWSQBGSTB-UHFFFAOYSA-N -1 1 452.580 4.543 20 0 JJADMM CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546134654 1068194538 /nfs/dbraw/zinc/19/45/38/1068194538.db2.gz DJTYLYIILWCYNY-APWZRJJASA-N -1 1 458.839 4.684 20 0 JJADMM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccco1 ZINC001462994010 1068242711 /nfs/dbraw/zinc/24/27/11/1068242711.db2.gz WJRANLHRRHPBBF-MRXNPFEDSA-N -1 1 450.782 4.529 20 0 JJADMM CC([N-]S(=O)(=O)c1c(F)cc(Br)cc1F)(c1ccccc1)c1ccccc1 ZINC001463061249 1068271158 /nfs/dbraw/zinc/27/11/58/1068271158.db2.gz SDWZKSBZGSQKQY-UHFFFAOYSA-N -1 1 452.320 4.969 20 0 JJADMM O=S(=O)([N-][C@@H](c1ccccc1)C1CCOCC1)c1cc(Br)sc1Cl ZINC001463099881 1068286847 /nfs/dbraw/zinc/28/68/47/1068286847.db2.gz WKCFODYLGAXMGX-HNNXBMFYSA-N -1 1 450.807 4.610 20 0 JJADMM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(Cl)cc(F)cc1Br ZINC001463252671 1068335520 /nfs/dbraw/zinc/33/55/20/1068335520.db2.gz PMCIOHKQRZKHSA-IUCAKERBSA-N -1 1 452.695 4.889 20 0 JJADMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463294754 1068347969 /nfs/dbraw/zinc/34/79/69/1068347969.db2.gz SVCOIXPZDLGEIB-MFKMUULPSA-N -1 1 453.185 4.546 20 0 JJADMM CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(Br)c1F)Cc1cccc(Cl)c1 ZINC001463332227 1068359311 /nfs/dbraw/zinc/35/93/11/1068359311.db2.gz AZEDRYOKOYNWOH-UHFFFAOYSA-N -1 1 452.748 4.928 20 0 JJADMM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333530 1068359708 /nfs/dbraw/zinc/35/97/08/1068359708.db2.gz FMFHAJMNQOYQSX-NGOKVRLYSA-N -1 1 459.008 4.833 20 0 JJADMM C[S@@](=O)(=NS(=O)(=O)[N-][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333519 1068359908 /nfs/dbraw/zinc/35/99/08/1068359908.db2.gz FMFHAJMNQOYQSX-MMTVBGGISA-N -1 1 459.008 4.833 20 0 JJADMM CC(C)(C[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br)C1CCCC1 ZINC001463343496 1068363632 /nfs/dbraw/zinc/36/36/32/1068363632.db2.gz AQHUZFARPSOAAI-UHFFFAOYSA-N -1 1 457.203 4.845 20 0 JJADMM O=S(=O)([N-]CCNc1cccc(Br)c1)c1c(Cl)cc(Cl)cc1Cl ZINC001463403547 1068386136 /nfs/dbraw/zinc/38/61/36/1068386136.db2.gz LFXVNTDAXVUUEP-UHFFFAOYSA-N -1 1 458.592 4.800 20 0 JJADMM O=S(=O)([N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC001463415653 1068390543 /nfs/dbraw/zinc/39/05/43/1068390543.db2.gz XVHVWELXTCIIDC-SNVBAGLBSA-N -1 1 458.169 4.997 20 0 JJADMM C[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001463467631 1068410868 /nfs/dbraw/zinc/41/08/68/1068410868.db2.gz KXUFHWPWDHVKBW-PBHICJAKSA-N -1 1 464.450 4.823 20 0 JJADMM O=S(=O)([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[nH]c2ncc(Cl)cc12 ZINC001463503676 1068421095 /nfs/dbraw/zinc/42/10/95/1068421095.db2.gz JDPLXDUOWNSZSD-ZDUSSCGKSA-N -1 1 457.783 4.817 20 0 JJADMM O=S(=O)([N-]C1(Cc2cccc(F)c2)CCC1)c1cc(Cl)c(Br)cc1F ZINC001463554847 1068439528 /nfs/dbraw/zinc/43/95/28/1068439528.db2.gz JGBLFEBXTUMQHZ-UHFFFAOYSA-N -1 1 450.732 4.824 20 0 JJADMM O=S(=O)([N-][C@@H](c1cc(F)cc(Br)c1)C1CC1)c1cc(Cl)cnc1Cl ZINC001463573469 1068451803 /nfs/dbraw/zinc/45/18/03/1068451803.db2.gz GCRDAPMMCVWHBR-CQSZACIVSA-N -1 1 454.148 4.720 20 0 JJADMM O=S(=O)([N-][C@H](c1cc(F)cc(Br)c1)C1CC1)c1cc(Cl)cnc1Cl ZINC001463573463 1068451907 /nfs/dbraw/zinc/45/19/07/1068451907.db2.gz GCRDAPMMCVWHBR-AWEZNQCLSA-N -1 1 454.148 4.720 20 0 JJADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463582344 1068455371 /nfs/dbraw/zinc/45/53/71/1068455371.db2.gz MWHVTVIEZUNPRG-QUCCMNQESA-N -1 1 451.386 4.871 20 0 JJADMM CC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001463582988 1068456210 /nfs/dbraw/zinc/45/62/10/1068456210.db2.gz PYSUVYIKEWIYQG-ZDUSSCGKSA-N -1 1 455.374 4.633 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C[C@@H](C)C(F)(F)F ZINC001463583957 1068456938 /nfs/dbraw/zinc/45/69/38/1068456938.db2.gz UHQJHGNXUXMTKN-LLVKDONJSA-N -1 1 450.866 4.676 20 0 JJADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC001463588711 1068458241 /nfs/dbraw/zinc/45/82/41/1068458241.db2.gz MKQZWXPJZWBVQN-IYARVYRRSA-N -1 1 458.580 4.804 20 0 JJADMM Cc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(C)s1 ZINC001463627695 1068473735 /nfs/dbraw/zinc/47/37/35/1068473735.db2.gz WHYLCFZJIVESSH-UHFFFAOYSA-N -1 1 455.483 4.832 20 0 JJADMM Cc1cc(C)n2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c2n1 ZINC001463652187 1068481468 /nfs/dbraw/zinc/48/14/68/1068481468.db2.gz DAWASCBSTLGOQJ-UHFFFAOYSA-N -1 1 454.939 4.658 20 0 JJADMM Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001463653025 1068482459 /nfs/dbraw/zinc/48/24/59/1068482459.db2.gz JRAXCPSFXQFECI-QGZVFWFLSA-N -1 1 458.967 4.993 20 0 JJADMM O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)c([O-])c1 ZINC001463658803 1068485740 /nfs/dbraw/zinc/48/57/40/1068485740.db2.gz NALSOSWTUQPNNN-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM Cc1cccc(CO[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC001463672751 1068489852 /nfs/dbraw/zinc/48/98/52/1068489852.db2.gz DWFIZVCNUTZVPH-HXUWFJFHSA-N -1 1 452.576 4.956 20 0 JJADMM CC[C@@]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)(C(=O)OC)c1ccc(Cl)cc1 ZINC001463695891 1068497032 /nfs/dbraw/zinc/49/70/32/1068497032.db2.gz ULVDSZJRZAXUSM-IBGZPJMESA-N -1 1 458.388 4.965 20 0 JJADMM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC001463725311 1068505433 /nfs/dbraw/zinc/50/54/33/1068505433.db2.gz QAZGVLAXCWYMPB-GFCCVEGCSA-N -1 1 458.930 4.569 20 0 JJADMM COc1ccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])cc1Cc1ccccc1 ZINC001463840951 1068544285 /nfs/dbraw/zinc/54/42/85/1068544285.db2.gz ALDUSTJWGSMDRL-UHFFFAOYSA-N -1 1 457.486 4.793 20 0 JJADMM CCC[C@@H](O)CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001463841600 1068544933 /nfs/dbraw/zinc/54/49/33/1068544933.db2.gz CTRZXUPNKMSVBL-MRXNPFEDSA-N -1 1 458.552 4.600 20 0 JJADMM Cc1ccc(NC(=O)[C@H]2CCCS2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC001463850219 1068547889 /nfs/dbraw/zinc/54/78/89/1068547889.db2.gz ZBQIWJOIQOHDFO-MRXNPFEDSA-N -1 1 458.577 4.945 20 0 JJADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccc(OC)cc1 ZINC001463874021 1068553000 /nfs/dbraw/zinc/55/30/00/1068553000.db2.gz HMDSWRFPAVSZBC-XMMPIXPASA-N -1 1 452.576 4.994 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(OCc2ccccc2)ccn1 ZINC001463883541 1068555107 /nfs/dbraw/zinc/55/51/07/1068555107.db2.gz VJSUOQXPODSMSH-UHFFFAOYSA-N -1 1 459.527 4.714 20 0 JJADMM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(I)c([O-])c1 ZINC001464003873 1068586192 /nfs/dbraw/zinc/58/61/92/1068586192.db2.gz LBHJZVHKOZJOBI-QGZVFWFLSA-N -1 1 453.276 4.717 20 0 JJADMM O=C(NCc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001464057661 1068602319 /nfs/dbraw/zinc/60/23/19/1068602319.db2.gz TZSMFERSPUCKAH-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)cc21 ZINC001464084118 1068608300 /nfs/dbraw/zinc/60/83/00/1068608300.db2.gz LOGVUGGXEHBCNE-UHFFFAOYSA-N -1 1 451.816 4.801 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc(Oc2nccs2)c1 ZINC001464179384 1068644966 /nfs/dbraw/zinc/64/49/66/1068644966.db2.gz HLMRUXDGZNANBZ-UHFFFAOYSA-N -1 1 451.529 4.989 20 0 JJADMM CCOc1cc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])ccc1OC(F)F ZINC001464280270 1068688463 /nfs/dbraw/zinc/68/84/63/1068688463.db2.gz FQHHPNRKRNHPSN-UHFFFAOYSA-N -1 1 452.454 4.669 20 0 JJADMM O=C(Nc1ccc(OCc2ccccc2)nc1)c1c([O-])cnc2c(Br)cccc21 ZINC001464309435 1068700203 /nfs/dbraw/zinc/70/02/03/1068700203.db2.gz KWVDRMRNMZBMGH-UHFFFAOYSA-N -1 1 450.292 4.929 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)c1cc(O)ccc1Cl ZINC001464336495 1068710609 /nfs/dbraw/zinc/71/06/09/1068710609.db2.gz CGXYLDPHHSNILR-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c(F)cc1Cl ZINC001464344261 1068713589 /nfs/dbraw/zinc/71/35/89/1068713589.db2.gz IHSPWYPNKNIUQC-APWZRJJASA-N -1 1 453.963 4.907 20 0 JJADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(F)cc1Cl ZINC001464344303 1068714101 /nfs/dbraw/zinc/71/41/01/1068714101.db2.gz IHSPWYPNKNIUQC-QFBILLFUSA-N -1 1 453.963 4.907 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC(C)(C)CC(F)F)cc2)cc1OC ZINC001464357547 1068718516 /nfs/dbraw/zinc/71/85/16/1068718516.db2.gz DCKXLAATBOALTC-UHFFFAOYSA-N -1 1 456.511 4.515 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001464381402 1068725806 /nfs/dbraw/zinc/72/58/06/1068725806.db2.gz OZWALFCRNYUHJL-GHMZBOCLSA-N -1 1 456.383 4.942 20 0 JJADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001464418194 1068738712 /nfs/dbraw/zinc/73/87/12/1068738712.db2.gz GFHDJLGOKHXKKW-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM O=C(c1ccc(I)c([O-])c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001464475997 1068760241 /nfs/dbraw/zinc/76/02/41/1068760241.db2.gz LPGDHWFPZSCDTP-LJQANCHMSA-N -1 1 455.295 4.785 20 0 JJADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC001464541020 1068776819 /nfs/dbraw/zinc/77/68/19/1068776819.db2.gz NQNAUQFNWMJDTM-GOSISDBHSA-N -1 1 457.857 4.705 20 0 JJADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001464704413 1068830974 /nfs/dbraw/zinc/83/09/74/1068830974.db2.gz VQCQPPIZFHAHQN-UHFFFAOYSA-N -1 1 454.567 4.951 20 0 JJADMM O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003226635 562926804 /nfs/dbraw/zinc/92/68/04/562926804.db2.gz DUJZAUWVEVOHFR-UHFFFAOYSA-N -1 1 487.503 4.960 20 0 JJADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(Oc4ccccc4)c3)ns2)cs1 ZINC001435197428 1064585713 /nfs/dbraw/zinc/58/57/13/1064585713.db2.gz FRYPUQSVLYICPL-UHFFFAOYSA-N -1 1 457.558 4.715 20 0 JJADMM O=C([N-][C@H]1CCCN(c2ccccc2Cl)C1=O)C(F)(F)c1ccc(Br)cc1 ZINC001435265121 1064642536 /nfs/dbraw/zinc/64/25/36/1064642536.db2.gz IYDGZPVQOHDYST-HNNXBMFYSA-N -1 1 457.702 4.506 20 0 JJADMM COc1cc(C[N-]C(=O)C(F)(F)C(F)F)cc(Br)c1OCc1ccccc1 ZINC001435744529 1064969254 /nfs/dbraw/zinc/96/92/54/1064969254.db2.gz BNOXCUCOTMJBGV-UHFFFAOYSA-N -1 1 450.226 4.553 20 0 JJADMM CC(C)SCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001360416745 1065279840 /nfs/dbraw/zinc/27/98/40/1065279840.db2.gz KHXJDOZKWANZKR-UHFFFAOYSA-N -1 1 495.571 4.728 20 0 JJADMM O=C([N-]c1nc(C2CCOCC2)ns1)c1csc(-c2cc(Br)cs2)n1 ZINC001438477810 1065724160 /nfs/dbraw/zinc/72/41/60/1065724160.db2.gz ICUOZUZIVBNSHD-UHFFFAOYSA-N -1 1 457.400 4.632 20 0 JJADMM CC1(C)CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001360805684 1065917892 /nfs/dbraw/zinc/91/78/92/1065917892.db2.gz WZDRDLKFFKMNFH-GOSISDBHSA-N -1 1 455.569 4.657 20 0 JJADMM CCOc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC001440331493 1065930789 /nfs/dbraw/zinc/93/07/89/1065930789.db2.gz QCYQVWCXZUKPAX-UHFFFAOYSA-N -1 1 452.576 4.775 20 0 JJADMM CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001440414142 1065939462 /nfs/dbraw/zinc/93/94/62/1065939462.db2.gz RTJWRQFOWPJOMA-UHFFFAOYSA-N -1 1 455.374 4.633 20 0 JJADMM C[C@H](CC1CCCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001440422268 1065940201 /nfs/dbraw/zinc/94/02/01/1065940201.db2.gz OQQAHLMEOIMEHN-QGZVFWFLSA-N -1 1 458.580 4.804 20 0 JJADMM O=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001440438985 1065940625 /nfs/dbraw/zinc/94/06/25/1065940625.db2.gz RTYOHXRJOHVEDI-UHFFFAOYSA-N -1 1 452.866 4.995 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)ccn1 ZINC001440501569 1065945106 /nfs/dbraw/zinc/94/51/06/1065945106.db2.gz UUXOHKMIJNBVHJ-UHFFFAOYSA-N -1 1 455.845 4.807 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc2ccc(=O)[nH]c21 ZINC001440560987 1065949730 /nfs/dbraw/zinc/94/97/30/1065949730.db2.gz FEPKJUFYTZVWBR-UHFFFAOYSA-N -1 1 453.907 4.647 20 0 JJADMM COc1cccc2c1[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1)CC2 ZINC001440563993 1065950007 /nfs/dbraw/zinc/95/00/07/1065950007.db2.gz KKPZAAKSYGHIOS-HXUWFJFHSA-N -1 1 456.951 4.818 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC001440702367 1065968029 /nfs/dbraw/zinc/96/80/29/1065968029.db2.gz CPWKGZZCVACVAW-CZTZKLFOSA-N -1 1 456.608 4.975 20 0 JJADMM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001440740005 1065973980 /nfs/dbraw/zinc/97/39/80/1065973980.db2.gz SALVVEBLXOGEBK-QGZVFWFLSA-N -1 1 451.523 4.856 20 0 JJADMM Cc1ccc(NC(=O)c2cc(F)c[nH]2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC001440755749 1065976927 /nfs/dbraw/zinc/97/69/27/1065976927.db2.gz RMYQUSYNFQGIBC-UHFFFAOYSA-N -1 1 455.483 4.830 20 0 JJADMM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(I)ccc1[O-] ZINC001440756730 1065977094 /nfs/dbraw/zinc/97/70/94/1065977094.db2.gz VRGCOKXELUICJP-UHFFFAOYSA-N -1 1 451.260 4.681 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)c1 ZINC001440799598 1065979824 /nfs/dbraw/zinc/97/98/24/1065979824.db2.gz XDCYIGGREBUOSM-UHFFFAOYSA-N -1 1 458.543 4.814 20 0 JJADMM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C2CC2)cc1 ZINC001440821609 1065981604 /nfs/dbraw/zinc/98/16/04/1065981604.db2.gz DRKMAOJNOGOFGR-QHCPKHFHSA-N -1 1 456.514 4.955 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCn4cccc4[C@@H]3C)c2)cc1C ZINC001441054945 1066004819 /nfs/dbraw/zinc/00/48/19/1066004819.db2.gz OODUIHKQUMTEKI-KRWDZBQOSA-N -1 1 457.983 4.776 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC)Cc3ccc(C)cc3)c2)cc1 ZINC001441124769 1066009612 /nfs/dbraw/zinc/00/96/12/1066009612.db2.gz RFVRDPVMXFOOQT-UHFFFAOYSA-N -1 1 452.576 4.857 20 0 JJADMM COC(=O)Nc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC001441345351 1066031048 /nfs/dbraw/zinc/03/10/48/1066031048.db2.gz CYOWOXPBNQGWAR-UHFFFAOYSA-N -1 1 459.911 4.571 20 0 JJADMM COc1ccc(/C=C(\C)C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC001441347597 1066031487 /nfs/dbraw/zinc/03/14/87/1066031487.db2.gz MJXQOHHWWUXEHR-GHRIWEEISA-N -1 1 454.523 4.986 20 0 JJADMM Cc1c(Br)scc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001441349354 1066031695 /nfs/dbraw/zinc/03/16/95/1066031695.db2.gz QMQDETUKIMFLHF-UHFFFAOYSA-N -1 1 451.367 4.872 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cnc2ccc(F)cc2c1 ZINC001441391325 1066037051 /nfs/dbraw/zinc/03/70/51/1066037051.db2.gz SCOMKBAUPNMKNS-UHFFFAOYSA-N -1 1 457.433 4.705 20 0 JJADMM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC001441416924 1066039430 /nfs/dbraw/zinc/03/94/30/1066039430.db2.gz IEXXDYMUSJGBHJ-KRWDZBQOSA-N -1 1 456.589 4.924 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3c(C)cccc3C)c2)c1 ZINC001441463937 1066043612 /nfs/dbraw/zinc/04/36/12/1066043612.db2.gz NLYJKIGJDWUZKU-UHFFFAOYSA-N -1 1 452.576 4.530 20 0 JJADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC001441493245 1066046431 /nfs/dbraw/zinc/04/64/31/1066046431.db2.gz GTVXSRLHLMJMCQ-UHFFFAOYSA-N -1 1 452.511 4.773 20 0 JJADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2COCc2ccccc2)c1 ZINC001441599629 1066053036 /nfs/dbraw/zinc/05/30/36/1066053036.db2.gz MHVVXLWALGZUJL-UHFFFAOYSA-N -1 1 457.486 4.910 20 0 JJADMM CCCOCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001441634917 1066056728 /nfs/dbraw/zinc/05/67/28/1066056728.db2.gz YBWIVRZUXNMDQP-UHFFFAOYSA-N -1 1 452.576 4.652 20 0 JJADMM O=C(CCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001441888164 1066078843 /nfs/dbraw/zinc/07/88/43/1066078843.db2.gz UCYBHFJPUXTWGA-UHFFFAOYSA-N -1 1 450.894 4.990 20 0 JJADMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001441895911 1066080194 /nfs/dbraw/zinc/08/01/94/1066080194.db2.gz WKFFGSFHPMFHID-UHFFFAOYSA-N -1 1 458.967 4.682 20 0 JJADMM Cc1ccsc1CCn1c(CC2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001360924356 1066080371 /nfs/dbraw/zinc/08/03/71/1066080371.db2.gz NAVLFMLYDKGWME-UHFFFAOYSA-N -1 1 483.604 4.518 20 0 JJADMM C[C@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC001442065322 1066089160 /nfs/dbraw/zinc/08/91/60/1066089160.db2.gz VGTNVJHABVFTPJ-CYBMUJFWSA-N -1 1 459.365 4.830 20 0 JJADMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)[n-]n1 ZINC001442080812 1066091303 /nfs/dbraw/zinc/09/13/03/1066091303.db2.gz PURVLBGBQOSNKL-UHFFFAOYSA-N -1 1 452.458 4.683 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c([O-])c1 ZINC001442112443 1066095548 /nfs/dbraw/zinc/09/55/48/1066095548.db2.gz CXELIJCJGQBLNP-UHFFFAOYSA-N -1 1 453.470 4.996 20 0 JJADMM COc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001442220550 1066103655 /nfs/dbraw/zinc/10/36/55/1066103655.db2.gz KXYVFAGHJULGKA-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC001442247976 1066107833 /nfs/dbraw/zinc/10/78/33/1066107833.db2.gz GINYQBNHIZXZQW-KRWDZBQOSA-N -1 1 456.539 4.905 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(OC(C)(C)C)cc3)c2)c1 ZINC001442301586 1066114003 /nfs/dbraw/zinc/11/40/03/1066114003.db2.gz XCUHQGMYWROENI-UHFFFAOYSA-N -1 1 452.576 4.903 20 0 JJADMM CC[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1nc(-c2ccccc2)c[nH]1 ZINC001442306108 1066115327 /nfs/dbraw/zinc/11/53/27/1066115327.db2.gz INVHZQNDTLEMEC-INIZCTEOSA-N -1 1 451.324 4.974 20 0 JJADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001442569933 1066139629 /nfs/dbraw/zinc/13/96/29/1066139629.db2.gz JIFCMOBXLXPFDH-UHFFFAOYSA-N -1 1 450.926 4.609 20 0 JJADMM CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001545950141 1066141740 /nfs/dbraw/zinc/14/17/40/1066141740.db2.gz LOTCKMCVBIPFNJ-NQIIRXRSSA-N -1 1 499.656 4.900 20 0 JJADMM Cc1ccc(OCCCNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001442682671 1066151955 /nfs/dbraw/zinc/15/19/55/1066151955.db2.gz OCUZCYTWJLCCKL-UHFFFAOYSA-N -1 1 452.576 4.612 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 ZINC001442879610 1066236245 /nfs/dbraw/zinc/23/62/45/1066236245.db2.gz ZBDSGDQSLSJICQ-UHFFFAOYSA-N -1 1 452.551 4.787 20 0 JJADMM C[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001454066314 1066242494 /nfs/dbraw/zinc/24/24/94/1066242494.db2.gz XEAYKDLVERHVTP-ZOCZFRKYSA-N -1 1 475.555 4.915 20 0 JJADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001546058183 1066249279 /nfs/dbraw/zinc/24/92/79/1066249279.db2.gz GFGBKXHYVKBRCJ-UHFFFAOYSA-N -1 1 459.518 4.701 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001443018444 1066254072 /nfs/dbraw/zinc/25/40/72/1066254072.db2.gz AEVIYFAOFPUALP-UHFFFAOYSA-N -1 1 452.580 4.530 20 0 JJADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC001454221403 1066255559 /nfs/dbraw/zinc/25/55/59/1066255559.db2.gz PSFXDJJBBFEFNV-CQSZACIVSA-N -1 1 454.939 4.508 20 0 JJADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC001454221402 1066255698 /nfs/dbraw/zinc/25/56/98/1066255698.db2.gz PSFXDJJBBFEFNV-AWEZNQCLSA-N -1 1 454.939 4.508 20 0 JJADMM Cc1ccc(C(=O)NCC(C)(C)c2ccccc2F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001443026172 1066256173 /nfs/dbraw/zinc/25/61/73/1066256173.db2.gz GXNXDWXAHSGLGN-UHFFFAOYSA-N -1 1 458.530 4.782 20 0 JJADMM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001443259812 1066285699 /nfs/dbraw/zinc/28/56/99/1066285699.db2.gz CATZRKQPDUBJON-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM Cc1cc(O)cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC001454497908 1066293286 /nfs/dbraw/zinc/29/32/86/1066293286.db2.gz OTUHBACNHGZWDT-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)ccc1O ZINC001545958111 1066306182 /nfs/dbraw/zinc/30/61/82/1066306182.db2.gz TXEZDNDMTWFVFQ-UHFFFAOYSA-N -1 1 450.438 4.773 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)c1 ZINC001443405639 1066306662 /nfs/dbraw/zinc/30/66/62/1066306662.db2.gz KTEXDFKCRHZHPQ-UHFFFAOYSA-N -1 1 454.567 4.951 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)cc2)c(C)c1C ZINC001454713399 1066324843 /nfs/dbraw/zinc/32/48/43/1066324843.db2.gz TVAZTGFWFBVBGA-NVJIOZQYSA-N -1 1 458.624 4.571 20 0 JJADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1nc(-c2ccccc2)cs1 ZINC001443590414 1066333978 /nfs/dbraw/zinc/33/39/78/1066333978.db2.gz MPYKPYWYYNORKF-LLVKDONJSA-N -1 1 450.301 4.611 20 0 JJADMM C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC001454930591 1066343349 /nfs/dbraw/zinc/34/33/49/1066343349.db2.gz JLXSQZPHYKXCJW-LJQANCHMSA-N -1 1 457.258 4.512 20 0 JJADMM COc1ccc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001454967091 1066347262 /nfs/dbraw/zinc/34/72/62/1066347262.db2.gz ZWQZIDBLKGSIGE-PKOBYXMFSA-N -1 1 480.483 4.553 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(CC4CC4)[nH]n3)c2)cc1C ZINC001455033236 1066354720 /nfs/dbraw/zinc/35/47/20/1066354720.db2.gz YRKLPJXZCJUCFZ-UHFFFAOYSA-N -1 1 458.971 4.686 20 0 JJADMM CCc1coc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)ccc2Cl)n1 ZINC001455394886 1066386013 /nfs/dbraw/zinc/38/60/13/1066386013.db2.gz VWEMVNSJNYSCDX-UHFFFAOYSA-N -1 1 454.335 4.905 20 0 JJADMM O=C(NCCC[C@@H]1C=CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001455422780 1066389075 /nfs/dbraw/zinc/38/90/75/1066389075.db2.gz ZIAYLLUCBUAZCI-MRXNPFEDSA-N -1 1 452.498 4.982 20 0 JJADMM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1C(F)(F)F ZINC001455447683 1066391192 /nfs/dbraw/zinc/39/11/92/1066391192.db2.gz DFPFPTOSFPBGTR-KRWDZBQOSA-N -1 1 458.864 4.947 20 0 JJADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC001455449882 1066391269 /nfs/dbraw/zinc/39/12/69/1066391269.db2.gz KGJLTUNPKRCVBD-UHFFFAOYSA-N -1 1 456.739 4.603 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(OC2CCCCC2)cc1 ZINC001444089101 1066403857 /nfs/dbraw/zinc/40/38/57/1066403857.db2.gz XQKWPLSNHAUFPM-UHFFFAOYSA-N -1 1 457.379 4.622 20 0 JJADMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccc(F)cc1 ZINC001546074226 1066415874 /nfs/dbraw/zinc/41/58/74/1066415874.db2.gz LHHRNMFAKXMYOX-HSZRJFAPSA-N -1 1 454.523 4.710 20 0 JJADMM COc1ccc(C(=O)Nc2cccc(OCCNC(=O)c3cc4ccccc4cc3[O-])c2)cc1 ZINC001444153880 1066419484 /nfs/dbraw/zinc/41/94/84/1066419484.db2.gz UWDGJQRWNHQMNI-UHFFFAOYSA-N -1 1 456.498 4.615 20 0 JJADMM Cc1ccc([C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444249056 1066434319 /nfs/dbraw/zinc/43/43/19/1066434319.db2.gz QEFLZUVZHOPNKI-DEOSSOPVSA-N -1 1 457.979 4.514 20 0 JJADMM Cc1ccc([C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001444249058 1066434352 /nfs/dbraw/zinc/43/43/52/1066434352.db2.gz QEFLZUVZHOPNKI-XMMPIXPASA-N -1 1 457.979 4.514 20 0 JJADMM CC(C)OC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])CC1 ZINC001444247280 1066434404 /nfs/dbraw/zinc/43/44/04/1066434404.db2.gz JSUYVLCBBOARLZ-UHFFFAOYSA-N -1 1 451.350 4.981 20 0 JJADMM C[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C(C)(C)C ZINC001455853981 1066442136 /nfs/dbraw/zinc/44/21/36/1066442136.db2.gz MHYOWIAMWMPXRO-AWEZNQCLSA-N -1 1 453.402 4.662 20 0 JJADMM Cc1cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1OC(C)C ZINC001444308884 1066446003 /nfs/dbraw/zinc/44/60/03/1066446003.db2.gz OTUDMUVDHOUGKT-UHFFFAOYSA-N -1 1 456.539 4.903 20 0 JJADMM CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001444356491 1066453828 /nfs/dbraw/zinc/45/38/28/1066453828.db2.gz IWXQUQQHVCMDHB-UHFFFAOYSA-N -1 1 451.592 4.592 20 0 JJADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC001444360876 1066455353 /nfs/dbraw/zinc/45/53/53/1066455353.db2.gz KFDGFFDKWJLSBV-IBGZPJMESA-N -1 1 454.567 4.947 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCCS3)c2)cc1C ZINC001546078159 1066465819 /nfs/dbraw/zinc/46/58/19/1066465819.db2.gz DXAJRIYUYWXOTQ-KRWDZBQOSA-N -1 1 453.029 4.773 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCCCS3)c2)cc1C ZINC001546078160 1066466632 /nfs/dbraw/zinc/46/66/32/1066466632.db2.gz DXAJRIYUYWXOTQ-QGZVFWFLSA-N -1 1 453.029 4.773 20 0 JJADMM CC(C)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)C1CCC1 ZINC001444536553 1066473444 /nfs/dbraw/zinc/47/34/44/1066473444.db2.gz YXFFEIBFBAKDOY-UHFFFAOYSA-N -1 1 451.386 4.653 20 0 JJADMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444586927 1066479567 /nfs/dbraw/zinc/47/95/67/1066479567.db2.gz ZZKVSFXZAYAVTG-UHFFFAOYSA-N -1 1 452.429 4.984 20 0 JJADMM CCCc1nc(C(=O)[N-]c2nc(-c3ccc(OC)cc3)ns2)nn1-c1ccccc1Cl ZINC001456037016 1066486415 /nfs/dbraw/zinc/48/64/15/1066486415.db2.gz YAYCEWQKBYNTNB-UHFFFAOYSA-N -1 1 454.943 4.653 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)Oc3cccc(Cl)c3)c2)cc1 ZINC001444680765 1066492973 /nfs/dbraw/zinc/49/29/73/1066492973.db2.gz BKHFHHHWAWAPPO-QGZVFWFLSA-N -1 1 458.967 4.647 20 0 JJADMM Cc1csc([C@H](NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)C2CC2)n1 ZINC001444698081 1066494630 /nfs/dbraw/zinc/49/46/30/1066494630.db2.gz JOMRTHWLNPMRJN-HXUWFJFHSA-N -1 1 459.568 4.581 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(Cl)c3F)cc2)ccc1F ZINC001444941568 1066520413 /nfs/dbraw/zinc/52/04/13/1066520413.db2.gz ZRRRPCVFVSORJF-UHFFFAOYSA-N -1 1 450.894 4.657 20 0 JJADMM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001444982935 1066525981 /nfs/dbraw/zinc/52/59/81/1066525981.db2.gz GVJMEGCLMRTDMV-UHFFFAOYSA-N -1 1 452.532 4.518 20 0 JJADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001444986020 1066526545 /nfs/dbraw/zinc/52/65/45/1066526545.db2.gz LCGTZQNLBIMCSX-KSSFIOAISA-N -1 1 451.386 4.511 20 0 JJADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc(Br)sc1Br ZINC001456168625 1066527517 /nfs/dbraw/zinc/52/75/17/1066527517.db2.gz BJAGTCIOHKWOLY-UHFFFAOYSA-N -1 1 459.188 4.968 20 0 JJADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000483 1066528886 /nfs/dbraw/zinc/52/88/86/1066528886.db2.gz MUSXTOBGCLRFIY-GOTSBHOMSA-N -1 1 456.608 4.687 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)Sc3ccccc3)cc2)ccc1F ZINC001445000049 1066528916 /nfs/dbraw/zinc/52/89/16/1066528916.db2.gz RMFZAQDPUMYHKM-QGZVFWFLSA-N -1 1 458.580 4.846 20 0 JJADMM CC(C)c1nc2ccccn2c1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001456175557 1066529038 /nfs/dbraw/zinc/52/90/38/1066529038.db2.gz DSDVBBWFTMDECJ-UHFFFAOYSA-N -1 1 459.731 4.967 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC001445166270 1066542374 /nfs/dbraw/zinc/54/23/74/1066542374.db2.gz RPFNKWZNLGIUNW-MSOLQXFVSA-N -1 1 450.560 4.612 20 0 JJADMM COc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1F ZINC001445221414 1066546665 /nfs/dbraw/zinc/54/66/65/1066546665.db2.gz LUOUXUOKICGSLE-KRWDZBQOSA-N -1 1 456.539 4.743 20 0 JJADMM O=C(NCCCc1ccc(Cl)cc1Cl)c1ccc(I)cc1[O-] ZINC001445291552 1066554322 /nfs/dbraw/zinc/55/43/22/1066554322.db2.gz SGBWGBDISWCONE-UHFFFAOYSA-N -1 1 450.103 4.666 20 0 JJADMM CCOC[C@H]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 ZINC001445408184 1066568047 /nfs/dbraw/zinc/56/80/47/1066568047.db2.gz ZDTOGPXOHDJHMQ-IBGZPJMESA-N -1 1 458.624 4.592 20 0 JJADMM Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001445410457 1066568110 /nfs/dbraw/zinc/56/81/10/1066568110.db2.gz CSWYXRFOGCBAAM-QFIPXVFZSA-N -1 1 454.979 4.906 20 0 JJADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001445441064 1066572079 /nfs/dbraw/zinc/57/20/79/1066572079.db2.gz NHUFFWURXVCSLF-LJQANCHMSA-N -1 1 450.560 4.840 20 0 JJADMM CCCOc1cc(C)ccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001445519364 1066580288 /nfs/dbraw/zinc/58/02/88/1066580288.db2.gz ZKAYTGPGNRRSRD-UHFFFAOYSA-N -1 1 456.539 4.654 20 0 JJADMM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC001445542048 1066585871 /nfs/dbraw/zinc/58/58/71/1066585871.db2.gz ZUJPCDVBFYCXRB-JOCHJYFZSA-N -1 1 455.967 4.822 20 0 JJADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584573 1066590956 /nfs/dbraw/zinc/59/09/56/1066590956.db2.gz NQCWIZWJNYRUPA-PKTZIBPZSA-N -1 1 456.608 4.524 20 0 JJADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001445587078 1066592215 /nfs/dbraw/zinc/59/22/15/1066592215.db2.gz NHUNLAKUCNORNJ-MRXNPFEDSA-N -1 1 456.951 4.532 20 0 JJADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001445653185 1066598595 /nfs/dbraw/zinc/59/85/95/1066598595.db2.gz UVCVTKQEEHVUFX-HSZRJFAPSA-N -1 1 458.961 4.833 20 0 JJADMM COc1c(Cl)cccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001456493829 1066598974 /nfs/dbraw/zinc/59/89/74/1066598974.db2.gz AQYCXRVWBUZQOO-UHFFFAOYSA-N -1 1 458.967 4.696 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)cc1 ZINC001445654885 1066598933 /nfs/dbraw/zinc/59/89/33/1066598933.db2.gz YCFUUKZDLVXYOY-UHFFFAOYSA-N -1 1 450.560 4.554 20 0 JJADMM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001445719108 1066610447 /nfs/dbraw/zinc/61/04/47/1066610447.db2.gz KDECKJZRPRHZOQ-QFIPXVFZSA-N -1 1 450.560 4.530 20 0 JJADMM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC001445719450 1066611141 /nfs/dbraw/zinc/61/11/41/1066611141.db2.gz LYBNUVNZRSCHGP-HSZRJFAPSA-N -1 1 450.560 4.530 20 0 JJADMM Cc1nc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)ccc2[nH]1 ZINC001445755518 1066614653 /nfs/dbraw/zinc/61/46/53/1066614653.db2.gz YCVONXUGMSGZHY-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM CC(C)C(NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)C(C)C ZINC001445860523 1066627933 /nfs/dbraw/zinc/62/79/33/1066627933.db2.gz ISEJZOXHRQAIBF-UHFFFAOYSA-N -1 1 453.402 4.660 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCc4cccnc43)c2)c1 ZINC001456635381 1066652764 /nfs/dbraw/zinc/65/27/64/1066652764.db2.gz ILCWMFHVVPTUNV-OAQYLSRUSA-N -1 1 455.967 4.652 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3OCC)cc2)cc1 ZINC001446235343 1066676511 /nfs/dbraw/zinc/67/65/11/1066676511.db2.gz DBBCUCUFKLCNHK-UHFFFAOYSA-N -1 1 454.548 4.561 20 0 JJADMM CCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)cc1 ZINC001456791393 1066690876 /nfs/dbraw/zinc/69/08/76/1066690876.db2.gz TWAYTXNOAORKKO-UHFFFAOYSA-N -1 1 458.967 4.512 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001456796755 1066692874 /nfs/dbraw/zinc/69/28/74/1066692874.db2.gz ASUPCKCGVXWDAE-NHCUHLMSSA-N -1 1 466.578 4.934 20 0 JJADMM Cc1ccc(Cl)cc1CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001456799183 1066692975 /nfs/dbraw/zinc/69/29/75/1066692975.db2.gz FCSHMIAJAAHEOJ-UHFFFAOYSA-N -1 1 450.894 4.657 20 0 JJADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c2)o1 ZINC001446395664 1066701562 /nfs/dbraw/zinc/70/15/62/1066701562.db2.gz NNJJZVJIERAAIF-ZDUSSCGKSA-N -1 1 450.438 4.960 20 0 JJADMM CCc1ncc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)cn1 ZINC001446395400 1066701592 /nfs/dbraw/zinc/70/15/92/1066701592.db2.gz NLOWFCZJIGAMRT-UHFFFAOYSA-N -1 1 452.580 4.698 20 0 JJADMM Cc1cccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(C)(C)C ZINC001456924233 1066723388 /nfs/dbraw/zinc/72/33/88/1066723388.db2.gz KLQKJNUJINCJRE-JOCHJYFZSA-N -1 1 455.555 4.847 20 0 JJADMM Cc1nc2c(s1)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc1)CCC2 ZINC001446640268 1066727804 /nfs/dbraw/zinc/72/78/04/1066727804.db2.gz GZRJKSSCDIFTNF-OAQYLSRUSA-N -1 1 455.605 4.677 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)cc2)cc1C ZINC001456965577 1066731829 /nfs/dbraw/zinc/73/18/29/1066731829.db2.gz AUWFSOJKKLSMIU-JOCHJYFZSA-N -1 1 454.979 4.655 20 0 JJADMM CC[C@]1(C)COCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC001446792604 1066740564 /nfs/dbraw/zinc/74/05/64/1066740564.db2.gz JBDQMKNNEPLWMH-RUZDIDTESA-N -1 1 458.624 4.671 20 0 JJADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001446814305 1066744147 /nfs/dbraw/zinc/74/41/47/1066744147.db2.gz OGIGZBKAMJNMMG-UHFFFAOYSA-N -1 1 453.417 4.530 20 0 JJADMM O=C(NCCC1CCC(F)(F)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001457017692 1066744450 /nfs/dbraw/zinc/74/44/50/1066744450.db2.gz QGOMYGAGPKJVSX-UHFFFAOYSA-N -1 1 458.477 4.711 20 0 JJADMM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1C ZINC001446958396 1066758611 /nfs/dbraw/zinc/75/86/11/1066758611.db2.gz LECVSLNVWJEDFO-UHFFFAOYSA-N -1 1 454.573 4.973 20 0 JJADMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CCO1 ZINC001446989569 1066762280 /nfs/dbraw/zinc/76/22/80/1066762280.db2.gz VDZIVBFJCBGINY-QPPBQGQZSA-N -1 1 458.624 4.818 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCOc4c(F)cccc43)c2)cc1 ZINC001447016001 1066766149 /nfs/dbraw/zinc/76/61/49/1066766149.db2.gz TTZOUAKARFLQMH-QFIPXVFZSA-N -1 1 454.523 4.579 20 0 JJADMM Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc2n[nH]cc21 ZINC001447099818 1066772694 /nfs/dbraw/zinc/77/26/94/1066772694.db2.gz SVTVOXGYBIXOEX-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc(CC)cc3)c2)cc1 ZINC001447162941 1066779101 /nfs/dbraw/zinc/77/91/01/1066779101.db2.gz GYIPTHWUXMTTMZ-GOSISDBHSA-N -1 1 452.576 4.940 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1 ZINC001447248789 1066784990 /nfs/dbraw/zinc/78/49/90/1066784990.db2.gz XCHLQQFZLFUXBN-UHFFFAOYSA-N -1 1 450.495 4.577 20 0 JJADMM COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(Br)cc2[O-])c1 ZINC001447306575 1066790044 /nfs/dbraw/zinc/79/00/44/1066790044.db2.gz IOBOFWANJNVDRM-JOCHJYFZSA-N -1 1 456.336 4.539 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCc4sccc43)cc2)cc1 ZINC001447346732 1066796955 /nfs/dbraw/zinc/79/69/55/1066796955.db2.gz MQRRUHCHTTUAHA-OAQYLSRUSA-N -1 1 456.589 4.755 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001457358194 1066816000 /nfs/dbraw/zinc/81/60/00/1066816000.db2.gz FAQCCGSKAUYACB-YJYMSZOUSA-N -1 1 458.477 4.738 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C(F)(F)F)CC[C@@H]3C)c2)c1 ZINC001447594394 1066827237 /nfs/dbraw/zinc/82/72/37/1066827237.db2.gz JHOPKXBKQHRMJD-DLBZAZTESA-N -1 1 454.514 4.907 20 0 JJADMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@]3(C)CCO[C@@H]3C)cc2)c1C ZINC001447597522 1066827400 /nfs/dbraw/zinc/82/74/00/1066827400.db2.gz VYPKGTWHUARSNW-IQGLISFBSA-N -1 1 458.624 4.699 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C(F)(F)F)CC[C@H]3C)c2)c1 ZINC001447594411 1066827484 /nfs/dbraw/zinc/82/74/84/1066827484.db2.gz JHOPKXBKQHRMJD-SJORKVTESA-N -1 1 454.514 4.907 20 0 JJADMM CS[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl)C(C)(C)C ZINC001447632078 1066832678 /nfs/dbraw/zinc/83/26/78/1066832678.db2.gz IFMRACLSOQDANP-IBGZPJMESA-N -1 1 455.045 4.957 20 0 JJADMM Cc1ccc([C@H]2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)c3)C2)cc1 ZINC001447631891 1066832702 /nfs/dbraw/zinc/83/27/02/1066832702.db2.gz LFGIBQRZZNLGAV-NRFANRHFSA-N -1 1 452.551 4.873 20 0 JJADMM Cc1cnc(C2CCN(C(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3[O-])CC2)s1 ZINC001447688520 1066841634 /nfs/dbraw/zinc/84/16/34/1066841634.db2.gz ASYBUKTUQZCVIA-UHFFFAOYSA-N -1 1 457.502 4.707 20 0 JJADMM CCCCOc1ccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1Cl ZINC001447749313 1066852283 /nfs/dbraw/zinc/85/22/83/1066852283.db2.gz DBMWQAOQYCHNJQ-UHFFFAOYSA-N -1 1 454.958 4.634 20 0 JJADMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cnc(Cc2ccccc2F)s1 ZINC001447786775 1066857050 /nfs/dbraw/zinc/85/70/50/1066857050.db2.gz OUZVHTVUEVMCKX-UHFFFAOYSA-N -1 1 453.539 4.893 20 0 JJADMM COc1ccc(-c2ncc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)s2)cc1 ZINC001447785831 1066857107 /nfs/dbraw/zinc/85/71/07/1066857107.db2.gz LISKEVGDPACXOO-UHFFFAOYSA-N -1 1 451.548 4.839 20 0 JJADMM O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(Br)c([O-])c1 ZINC001457564256 1066862574 /nfs/dbraw/zinc/86/25/74/1066862574.db2.gz ZEXWFPFNZQJYLY-IBGZPJMESA-N -1 1 457.393 4.746 20 0 JJADMM COc1ccc(CC(C)(C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC001447861081 1066870917 /nfs/dbraw/zinc/87/09/17/1066870917.db2.gz BPNOWSKTAFHAET-UHFFFAOYSA-N -1 1 452.576 4.556 20 0 JJADMM CSCc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1 ZINC001447945425 1066879339 /nfs/dbraw/zinc/87/93/39/1066879339.db2.gz MFJKYWUYMJXSBJ-UHFFFAOYSA-N -1 1 454.617 4.897 20 0 JJADMM O=C(c1cc(I)ccc1[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001448118753 1066901320 /nfs/dbraw/zinc/90/13/20/1066901320.db2.gz KOLJENFTWVSPPK-UHFFFAOYSA-N -1 1 455.242 4.595 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ncc(CC)o3)ccc2C)cc1 ZINC001448157435 1066904779 /nfs/dbraw/zinc/90/47/79/1066904779.db2.gz MBWFEWVRHYERHH-UHFFFAOYSA-N -1 1 455.580 4.619 20 0 JJADMM Cn1c(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])nc2cccc(Cl)c21 ZINC001457742677 1066908569 /nfs/dbraw/zinc/90/85/69/1066908569.db2.gz BDGSATGRPMBDEC-UHFFFAOYSA-N -1 1 456.836 4.715 20 0 JJADMM COc1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)c(C)c(OC)c1 ZINC001448230326 1066911768 /nfs/dbraw/zinc/91/17/68/1066911768.db2.gz QIUKONPACADAHE-UHFFFAOYSA-N -1 1 451.704 4.522 20 0 JJADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC001448237024 1066913450 /nfs/dbraw/zinc/91/34/50/1066913450.db2.gz AEFIURZRKSNMEJ-HSZRJFAPSA-N -1 1 458.942 4.852 20 0 JJADMM COc1ccc2cc(C(=O)Nc3cc([O-])c(Br)cc3Br)cnc2c1 ZINC001457789548 1066921285 /nfs/dbraw/zinc/92/12/85/1066921285.db2.gz UNJOYSJLXCBPIF-UHFFFAOYSA-N -1 1 452.102 4.726 20 0 JJADMM CCOC(=O)Nc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)cc1 ZINC001457790765 1066921769 /nfs/dbraw/zinc/92/17/69/1066921769.db2.gz ZHMLXULSKYEADQ-UHFFFAOYSA-N -1 1 458.106 4.738 20 0 JJADMM O=C(NC1(Cc2ccc(F)cc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457805111 1066924563 /nfs/dbraw/zinc/92/45/63/1066924563.db2.gz LHCUEQNWJPSYCV-UHFFFAOYSA-N -1 1 458.942 4.785 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)c1 ZINC001448655036 1066946921 /nfs/dbraw/zinc/94/69/21/1066946921.db2.gz AMXUNLWHXBSQCG-WIYYLYMNSA-N -1 1 456.514 4.668 20 0 JJADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CN(C)c2ccccc2)c1 ZINC001448680309 1066950077 /nfs/dbraw/zinc/95/00/77/1066950077.db2.gz ABFRZEBIYFIMKJ-UHFFFAOYSA-N -1 1 456.502 4.830 20 0 JJADMM CSC[C@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001545704814 1066966539 /nfs/dbraw/zinc/96/65/39/1066966539.db2.gz JXNFNRXYGHFLTL-OAHLLOKOSA-N -1 1 459.420 4.762 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnn([C@H](C)CC)c3C)cc2)cc1 ZINC001448929708 1066971048 /nfs/dbraw/zinc/97/10/48/1066971048.db2.gz SKWHTGDHDKPKTB-MRXNPFEDSA-N -1 1 456.568 4.614 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001448977077 1066974901 /nfs/dbraw/zinc/97/49/01/1066974901.db2.gz BKTGJRHGFRNUCF-QHCPKHFHSA-N -1 1 456.514 4.881 20 0 JJADMM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)C1CCCC1 ZINC001449265796 1066994090 /nfs/dbraw/zinc/99/40/90/1066994090.db2.gz PKWZKBUDUATTKV-UHFFFAOYSA-N -1 1 451.386 4.655 20 0 JJADMM CC[C@H](c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCC1(F)CCC1)c1ccccc1 ZINC001545738889 1067004041 /nfs/dbraw/zinc/00/40/41/1067004041.db2.gz POCNXUCUGJTQGK-FQEVSTJZSA-N -1 1 495.565 4.997 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C(F)(F)F)C[C@H]3C)c2)c1 ZINC001450011052 1067041186 /nfs/dbraw/zinc/04/11/86/1067041186.db2.gz UJFZWKRYOPVKJQ-AEFFLSMTSA-N -1 1 454.514 4.907 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC001450009422 1067041460 /nfs/dbraw/zinc/04/14/60/1067041460.db2.gz SQJHDLJHVGCNPU-LSDHHAIUSA-N -1 1 458.477 4.738 20 0 JJADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450027004 1067042859 /nfs/dbraw/zinc/04/28/59/1067042859.db2.gz WALGPCFSFKJXQE-IBGZPJMESA-N -1 1 452.429 4.502 20 0 JJADMM CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001545759753 1067043171 /nfs/dbraw/zinc/04/31/71/1067043171.db2.gz GIVNUWZGSIVNDP-UHFFFAOYSA-N -1 1 459.472 4.965 20 0 JJADMM Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc1)C2 ZINC001450067374 1067047051 /nfs/dbraw/zinc/04/70/51/1067047051.db2.gz KXCMHDCMUBFVPR-UHFFFAOYSA-N -1 1 452.551 4.912 20 0 JJADMM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001450161113 1067056338 /nfs/dbraw/zinc/05/63/38/1067056338.db2.gz ZXKBICXXAOKRBT-IBGZPJMESA-N -1 1 455.480 4.512 20 0 JJADMM CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])Cc1ccccc1 ZINC001450277553 1067068256 /nfs/dbraw/zinc/06/82/56/1067068256.db2.gz LZUOFCUDHUHWBY-KRWDZBQOSA-N -1 1 452.473 4.619 20 0 JJADMM Cc1coc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c2)n1 ZINC001545780086 1067075364 /nfs/dbraw/zinc/07/53/64/1067075364.db2.gz LGQMIDBMDAOEKG-UHFFFAOYSA-N -1 1 451.479 4.842 20 0 JJADMM O=C(NC[C@@H]1CCCS1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC001545785303 1067081712 /nfs/dbraw/zinc/08/17/12/1067081712.db2.gz PWPHNZFDULUXMK-FQEVSTJZSA-N -1 1 452.601 4.780 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C3CC(OCC)C3)ccc2C)cc1 ZINC001450548708 1067089380 /nfs/dbraw/zinc/08/93/80/1067089380.db2.gz SDOPGRFKTMLNTG-UHFFFAOYSA-N -1 1 458.624 4.778 20 0 JJADMM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)Cc2ccccc2O1 ZINC001450562599 1067091590 /nfs/dbraw/zinc/09/15/90/1067091590.db2.gz VRSIROSMAXRBDT-MRXNPFEDSA-N -1 1 456.951 4.564 20 0 JJADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001450589292 1067092779 /nfs/dbraw/zinc/09/27/79/1067092779.db2.gz NGAHPZUMKGVWDM-JKSUJKDBSA-N -1 1 452.523 4.596 20 0 JJADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001450598371 1067093831 /nfs/dbraw/zinc/09/38/31/1067093831.db2.gz WJFLYDXGIFEXIC-SJORKVTESA-N -1 1 450.988 4.971 20 0 JJADMM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC001450624756 1067097278 /nfs/dbraw/zinc/09/72/78/1067097278.db2.gz KLLWWRITLLLBAZ-UHFFFAOYSA-N -1 1 458.967 4.961 20 0 JJADMM O=C(Nc1ccc(C(=O)NCCCc2cccs2)c([O-])c1)c1cccc(Br)c1 ZINC001545797126 1067097499 /nfs/dbraw/zinc/09/74/99/1067097499.db2.gz ACQCQLNXQBVFGC-UHFFFAOYSA-N -1 1 459.365 4.831 20 0 JJADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001451039730 1067141987 /nfs/dbraw/zinc/14/19/87/1067141987.db2.gz HRYDEQBNCGKHLO-LJQANCHMSA-N -1 1 452.576 4.912 20 0 JJADMM O=C(Nc1ccccc1OC(F)F)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001451164325 1067151341 /nfs/dbraw/zinc/15/13/41/1067151341.db2.gz HNECXPFFXBHWJQ-UHFFFAOYSA-N -1 1 452.866 4.995 20 0 JJADMM Cc1cc(=O)[nH]c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)c1 ZINC001452043806 1067204762 /nfs/dbraw/zinc/20/47/62/1067204762.db2.gz HZHMZRKDERISIM-UHFFFAOYSA-N -1 1 459.527 4.816 20 0 JJADMM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cc(C(=O)OC(C)(C)C)[n-]n3)cc12 ZINC001452118179 1067207827 /nfs/dbraw/zinc/20/78/27/1067207827.db2.gz YYCFKSAGTDYWPT-UHFFFAOYSA-N -1 1 457.943 4.980 20 0 JJADMM CCC[C@@H](C)c1cc(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])n[nH]1 ZINC001452320681 1067219754 /nfs/dbraw/zinc/21/97/54/1067219754.db2.gz ALUUTONGDGUVBK-CQSZACIVSA-N -1 1 452.511 4.541 20 0 JJADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])c1 ZINC001546105349 1067223442 /nfs/dbraw/zinc/22/34/42/1067223442.db2.gz DZSPYOOAXOCGEO-ZWKOTPCHSA-N -1 1 472.950 4.597 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)Cc3ccccn3)c2)cc1 ZINC001452487362 1067227313 /nfs/dbraw/zinc/22/73/13/1067227313.db2.gz GDIDBFJZSAOGCG-LJQANCHMSA-N -1 1 451.592 4.586 20 0 JJADMM CC(C)(C)C(=O)CCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105704 1067232775 /nfs/dbraw/zinc/23/27/75/1067232775.db2.gz SWFNIVYVEHHRHR-UHFFFAOYSA-N -1 1 452.960 4.570 20 0 JJADMM Cc1ccc2ccnc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)c2c1 ZINC001452613230 1067236943 /nfs/dbraw/zinc/23/69/43/1067236943.db2.gz FFHCWDNNMFOJSQ-UHFFFAOYSA-N -1 1 453.470 4.875 20 0 JJADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105869 1067245795 /nfs/dbraw/zinc/24/57/95/1067245795.db2.gz ZUHOWWUOCASLRG-GAJHUEQPSA-N -1 1 456.951 4.763 20 0 JJADMM CCc1nc(SCc2coc(-c3ccc(I)cc3)n2)[n-]c(=O)c1C ZINC001459110404 1067252474 /nfs/dbraw/zinc/25/24/74/1067252474.db2.gz GSGJMOLGFAVKRD-UHFFFAOYSA-N -1 1 453.305 4.605 20 0 JJADMM O=C(NCc1ccc2occc2c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001452996999 1067272849 /nfs/dbraw/zinc/27/28/49/1067272849.db2.gz IWTCHEXQGTVDIG-UHFFFAOYSA-N -1 1 458.898 4.956 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)cc1 ZINC001453605113 1067318305 /nfs/dbraw/zinc/31/83/05/1067318305.db2.gz VZGIJDLYNMDHLX-HZCBDIJESA-N -1 1 458.624 4.900 20 0 JJADMM COc1cc2ccccc2cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453680346 1067321686 /nfs/dbraw/zinc/32/16/86/1067321686.db2.gz IXBXWOXYBUEZBT-TZIWHRDSSA-N -1 1 456.464 4.525 20 0 JJADMM CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001546135084 1068210902 /nfs/dbraw/zinc/21/09/02/1068210902.db2.gz NCZUHLKOZZTLEG-APWZRJJASA-N -1 1 458.839 4.684 20 0 JJADMM CCOC(=O)c1[n-]c(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)nc1Cl ZINC001462919404 1068214402 /nfs/dbraw/zinc/21/44/02/1068214402.db2.gz JETTWEUTCNZKCF-UHFFFAOYSA-N -1 1 451.870 4.518 20 0 JJADMM O=S(=O)([N-][C@H](COc1ccccc1)c1ccccc1)c1c(F)cccc1Br ZINC001463056274 1068268817 /nfs/dbraw/zinc/26/88/17/1068268817.db2.gz URZVPKPUQZPIRO-LJQANCHMSA-N -1 1 450.329 4.687 20 0 JJADMM Cn1cc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3Cl)CCCC2)c(C(F)(F)F)n1 ZINC001463459878 1068406825 /nfs/dbraw/zinc/40/68/25/1068406825.db2.gz DWKPIQRDSJGTMW-UHFFFAOYSA-N -1 1 456.317 4.536 20 0 JJADMM O=S(=O)([N-][C@H]1CCOc2ccc(F)cc21)c1ccc(Br)c(Cl)c1Cl ZINC001463526744 1068428798 /nfs/dbraw/zinc/42/87/98/1068428798.db2.gz DKVRSDQGXCUKJC-NSHDSACASA-N -1 1 455.132 4.697 20 0 JJADMM Cc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463565658 1068446608 /nfs/dbraw/zinc/44/66/08/1068446608.db2.gz WODRRYQKTGUEKZ-UHFFFAOYSA-N -1 1 450.894 4.909 20 0 JJADMM CC(C)(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)c1cccc(Cl)c1F ZINC001463577299 1068453117 /nfs/dbraw/zinc/45/31/17/1068453117.db2.gz IEQWAWDCEYXGGC-UHFFFAOYSA-N -1 1 456.711 4.776 20 0 JJADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001463582346 1068455257 /nfs/dbraw/zinc/45/52/57/1068455257.db2.gz MWHVTVIEZUNPRG-UYAOXDASSA-N -1 1 451.386 4.871 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC001463582985 1068456153 /nfs/dbraw/zinc/45/61/53/1068456153.db2.gz PVVFOGKGRHRVSO-UHFFFAOYSA-N -1 1 459.955 4.920 20 0 JJADMM C[C@@H](CC1CCCCC1)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001463584357 1068456833 /nfs/dbraw/zinc/45/68/33/1068456833.db2.gz OQQAHLMEOIMEHN-KRWDZBQOSA-N -1 1 458.580 4.804 20 0 JJADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001463584449 1068456907 /nfs/dbraw/zinc/45/69/07/1068456907.db2.gz XMSDRJKNKHQFGD-KSSFIOAISA-N -1 1 479.396 4.633 20 0 JJADMM C[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 ZINC001463584364 1068457010 /nfs/dbraw/zinc/45/70/10/1068457010.db2.gz OUSAKIQITWXKAM-KRWDZBQOSA-N -1 1 458.580 4.804 20 0 JJADMM CCSCc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)no1 ZINC001463624227 1068471429 /nfs/dbraw/zinc/47/14/29/1068471429.db2.gz GNVOVNIZUHRFMC-UHFFFAOYSA-N -1 1 451.957 4.634 20 0 JJADMM C[C@@H](COCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccc1 ZINC001463625597 1068471970 /nfs/dbraw/zinc/47/19/70/1068471970.db2.gz JRTVNUVGIKZKAH-KRWDZBQOSA-N -1 1 458.967 4.900 20 0 JJADMM Cc1cnc(F)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC001463625321 1068471985 /nfs/dbraw/zinc/47/19/85/1068471985.db2.gz JDFRBLUYBATMLL-UHFFFAOYSA-N -1 1 453.417 4.601 20 0 JJADMM O=C(COc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001463653816 1068482357 /nfs/dbraw/zinc/48/23/57/1068482357.db2.gz MSEGTCNKUWWGBN-UHFFFAOYSA-N -1 1 456.951 4.647 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC001463748617 1068512093 /nfs/dbraw/zinc/51/20/93/1068512093.db2.gz HDYCLNBZOZITLY-ZDUSSCGKSA-N -1 1 459.568 4.769 20 0 JJADMM O=S(=O)([N-]C[C@@H]1CSc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001463758540 1068514851 /nfs/dbraw/zinc/51/48/51/1068514851.db2.gz IFAPHEPKJNXZGB-SECBINFHSA-N -1 1 453.210 4.924 20 0 JJADMM C[C@H](OCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1ccccc1 ZINC001463779365 1068522138 /nfs/dbraw/zinc/52/21/38/1068522138.db2.gz SZWGGQSEVMJZDU-INIZCTEOSA-N -1 1 454.473 4.820 20 0 JJADMM COC/C(C)=C\C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001463848604 1068547248 /nfs/dbraw/zinc/54/72/48/1068547248.db2.gz SBZYFZTUPNWSLU-RAXLEYEMSA-N -1 1 456.536 4.642 20 0 JJADMM COc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CCCC2)cc1 ZINC001463881014 1068554428 /nfs/dbraw/zinc/55/44/28/1068554428.db2.gz NOPBSZBDAVLVNM-UHFFFAOYSA-N -1 1 450.560 4.947 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c[nH]nc1-c1ccccc1Cl ZINC001463884167 1068555131 /nfs/dbraw/zinc/55/51/31/1068555131.db2.gz WIWZNVABUNJKDX-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC001463976558 1068579599 /nfs/dbraw/zinc/57/95/99/1068579599.db2.gz WSYYPZQTFVTWNC-LJQANCHMSA-N -1 1 452.576 4.946 20 0 JJADMM O=S(=O)([N-]CC1(c2ccccc2F)CCC1)c1c(Cl)cc(F)cc1Br ZINC001464001572 1068585045 /nfs/dbraw/zinc/58/50/45/1068585045.db2.gz JNOSDIPSQOIVNW-UHFFFAOYSA-N -1 1 450.732 4.781 20 0 JJADMM Cc1ccc(NC(=O)c2cc(C(=O)c3ccccc3)c[nH]2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001464147206 1068633829 /nfs/dbraw/zinc/63/38/29/1068633829.db2.gz QBROQGGGPLFRCA-UHFFFAOYSA-N -1 1 459.527 4.607 20 0 JJADMM COC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC001464148472 1068633865 /nfs/dbraw/zinc/63/38/65/1068633865.db2.gz VPYUCEJIGKSHFN-UHFFFAOYSA-N -1 1 453.520 4.535 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc(F)cc2ccncc21 ZINC001464160638 1068638424 /nfs/dbraw/zinc/63/84/24/1068638424.db2.gz BQIAXLPNKXGFRD-UHFFFAOYSA-N -1 1 457.433 4.705 20 0 JJADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC001464173909 1068642888 /nfs/dbraw/zinc/64/28/88/1068642888.db2.gz MPJUQWCSQARHKR-UHFFFAOYSA-N -1 1 450.704 4.512 20 0 JJADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OCc2ccccn2)cc1 ZINC001464180278 1068645656 /nfs/dbraw/zinc/64/56/56/1068645656.db2.gz KYWMUZMGQOBQMR-UHFFFAOYSA-N -1 1 459.527 4.714 20 0 JJADMM Cc1nn(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)c1C ZINC001464220561 1068663170 /nfs/dbraw/zinc/66/31/70/1068663170.db2.gz VTMXRPRDNYFVJP-UHFFFAOYSA-N -1 1 454.596 4.696 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001464252296 1068675891 /nfs/dbraw/zinc/67/58/91/1068675891.db2.gz AACKYMQVSVRZTK-UHFFFAOYSA-N -1 1 453.446 4.636 20 0 JJADMM CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001464252853 1068676737 /nfs/dbraw/zinc/67/67/37/1068676737.db2.gz CRXCSYFCHGDRAM-NSHDSACASA-N -1 1 457.445 4.759 20 0 JJADMM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1c([O-])cnc2c(Br)cccc21 ZINC001464310134 1068700652 /nfs/dbraw/zinc/70/06/52/1068700652.db2.gz DJPLKLVIPMTGIC-UHFFFAOYSA-N -1 1 454.324 4.581 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2-n2cccn2)c1)OCC(F)(F)F ZINC001464309949 1068700873 /nfs/dbraw/zinc/70/08/73/1068700873.db2.gz KQZUJTPKJDPIMP-UHFFFAOYSA-N -1 1 454.792 4.594 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4cnco4)cc3)c([O-])c2)c1 ZINC001464323500 1068705724 /nfs/dbraw/zinc/70/57/24/1068705724.db2.gz UDKOINHKHPAQRZ-UHFFFAOYSA-N -1 1 459.458 4.569 20 0 JJADMM COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001464324513 1068706202 /nfs/dbraw/zinc/70/62/02/1068706202.db2.gz ZKDLEYKPRACMIG-UHFFFAOYSA-N -1 1 458.470 4.529 20 0 JJADMM CCCC(O)(CCC)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC001464342246 1068712752 /nfs/dbraw/zinc/71/27/52/1068712752.db2.gz VISIELAHVDOMCD-UHFFFAOYSA-N -1 1 456.967 4.940 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3OC(C)C)cc2)c1 ZINC001464358545 1068718374 /nfs/dbraw/zinc/71/83/74/1068718374.db2.gz CILLLSABZISLMH-UHFFFAOYSA-N -1 1 452.576 4.821 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCC(C)(C)c3ccccc3)c2)cc1 ZINC001464424726 1068740515 /nfs/dbraw/zinc/74/05/15/1068740515.db2.gz RPFOKPHILKTRRU-UHFFFAOYSA-N -1 1 452.576 4.594 20 0 JJADMM CCCN1CCN(c2ccc(NC(=O)c3cccc(Br)c3[O-])cc2Cl)CC1 ZINC001464471685 1068759616 /nfs/dbraw/zinc/75/96/16/1068759616.db2.gz WTQKMVLCFMJYNS-UHFFFAOYSA-N -1 1 452.780 4.592 20 0 JJADMM Cc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001464594274 1068793855 /nfs/dbraw/zinc/79/38/55/1068793855.db2.gz APQZZPQKVLBHBP-UHFFFAOYSA-N -1 1 454.474 4.683 20 0 JJADMM C[C@@H](CSCc1ccccc1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001464721824 1068838256 /nfs/dbraw/zinc/83/82/56/1068838256.db2.gz MUHBBWHBYXFUQY-IBGZPJMESA-N -1 1 454.617 4.673 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1C ZINC000006181558 569588854 /nfs/dbraw/zinc/58/88/54/569588854.db2.gz GRGKWNIYPFMZCD-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM Cc1cc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C2CC2)ccc1F ZINC001545875566 1064291942 /nfs/dbraw/zinc/29/19/42/1064291942.db2.gz ZHWQFISUGJMWST-QHCPKHFHSA-N -1 1 456.514 4.955 20 0 JJADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001435098887 1064513295 /nfs/dbraw/zinc/51/32/95/1064513295.db2.gz DMASJWGKTDSTSP-LBPRGKRZSA-N -1 1 455.971 4.557 20 0 JJADMM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001435098882 1064513359 /nfs/dbraw/zinc/51/33/59/1064513359.db2.gz DMASJWGKTDSTSP-GFCCVEGCSA-N -1 1 455.971 4.557 20 0 JJADMM CCCc1nc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)nn1-c1ccccc1Cl ZINC001435116245 1064524247 /nfs/dbraw/zinc/52/42/47/1064524247.db2.gz NBKBIBGQBZSGEV-UHFFFAOYSA-N -1 1 452.971 4.876 20 0 JJADMM CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c(=O)[n-]1 ZINC001435523790 1064806563 /nfs/dbraw/zinc/80/65/63/1064806563.db2.gz UAACPLCXAWOGCL-UHFFFAOYSA-N -1 1 455.490 4.605 20 0 JJADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)s2)c1 ZINC001360090988 1064958533 /nfs/dbraw/zinc/95/85/33/1064958533.db2.gz ZKMDOURDEYVSHX-UHFFFAOYSA-N -1 1 459.568 4.930 20 0 JJADMM CSc1nc(C)c(CCC(=O)Nc2cc(C(F)(F)F)ccc2Br)c(=O)[n-]1 ZINC001436012155 1065109243 /nfs/dbraw/zinc/10/92/43/1065109243.db2.gz JYMCJUVYUNUNQH-UHFFFAOYSA-N -1 1 450.280 4.565 20 0 JJADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3occc3CS(=O)(=O)c3ccccc3)s2)c1 ZINC001360282925 1065122911 /nfs/dbraw/zinc/12/29/11/1065122911.db2.gz CBZQCKAWVGNLMI-UHFFFAOYSA-N -1 1 453.545 4.641 20 0 JJADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3sc4cccc(C)c4c3Cl)c2)n1 ZINC001436099421 1065179245 /nfs/dbraw/zinc/17/92/45/1065179245.db2.gz LMPZBLULVWPZJS-UHFFFAOYSA-N -1 1 454.939 4.755 20 0 JJADMM O=C([N-]Cc1cccc(Br)c1Cl)C(F)(F)c1ncccc1Br ZINC001436782145 1065440859 /nfs/dbraw/zinc/44/08/59/1065440859.db2.gz HJSSRWMAPGFYHE-UHFFFAOYSA-N -1 1 454.496 4.668 20 0 JJADMM CC[C@H](C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001436909695 1065468750 /nfs/dbraw/zinc/46/87/50/1065468750.db2.gz HONWBDPEPQGXTO-SJORKVTESA-N -1 1 458.402 4.835 20 0 JJADMM C[C@H](CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001436913351 1065469627 /nfs/dbraw/zinc/46/96/27/1065469627.db2.gz PWZLXCGODOVRFD-DYVFJYSZSA-N -1 1 458.402 4.835 20 0 JJADMM CSc1nc(C)c(CCC(=O)N(Cc2cccs2)Cc2ccc3[nH]ccc3c2)c(=O)[n-]1 ZINC001438149494 1065680802 /nfs/dbraw/zinc/68/08/02/1065680802.db2.gz YWHFICPSYXMTIN-UHFFFAOYSA-N -1 1 452.605 4.917 20 0 JJADMM CCOC(=O)c1[n-]c(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)nc1Cl ZINC001439500856 1065835440 /nfs/dbraw/zinc/83/54/40/1065835440.db2.gz RGEUIRXKAFMQEF-INIZCTEOSA-N -1 1 452.269 4.791 20 0 JJADMM Cc1nc2c(cccc2C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)[nH]1 ZINC001440382864 1065935633 /nfs/dbraw/zinc/93/56/33/1065935633.db2.gz HILHHQXWJJHVCJ-UHFFFAOYSA-N -1 1 454.939 4.886 20 0 JJADMM Cc1ccc(NC(=O)c2cnc3cccc(C)n23)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440387378 1065936590 /nfs/dbraw/zinc/93/65/90/1065936590.db2.gz PQFVRQBXTSXSBI-UHFFFAOYSA-N -1 1 454.939 4.658 20 0 JJADMM Cc1ccc(NC(=O)CCCOc2cccnc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440389808 1065936837 /nfs/dbraw/zinc/93/68/37/1065936837.db2.gz SJLWMCUGPHYVMT-UHFFFAOYSA-N -1 1 459.955 4.642 20 0 JJADMM O=C(CCCF)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440414767 1065939767 /nfs/dbraw/zinc/93/97/67/1065939767.db2.gz FHMWXYBOKZIDAQ-UHFFFAOYSA-N -1 1 453.967 4.819 20 0 JJADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)O1 ZINC001440520888 1065946725 /nfs/dbraw/zinc/94/67/25/1065946725.db2.gz LFAVEMOTTFQEKA-KDOFPFPSSA-N -1 1 456.486 4.792 20 0 JJADMM C=CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC001440566585 1065950453 /nfs/dbraw/zinc/95/04/53/1065950453.db2.gz RZOUTVRJIDELDS-UHFFFAOYSA-N -1 1 455.923 4.518 20 0 JJADMM CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001440567232 1065950761 /nfs/dbraw/zinc/95/07/61/1065950761.db2.gz XSSIUALQCWZQLK-UHFFFAOYSA-N -1 1 457.939 4.660 20 0 JJADMM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC001440574482 1065951235 /nfs/dbraw/zinc/95/12/35/1065951235.db2.gz AAAKQTBVJRHGKC-MRXNPFEDSA-N -1 1 459.593 4.911 20 0 JJADMM CO[C@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccccc1F ZINC001440578280 1065951778 /nfs/dbraw/zinc/95/17/78/1065951778.db2.gz PNWGMBCDRQVHSQ-DEOSSOPVSA-N -1 1 456.539 4.744 20 0 JJADMM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccc(I)cc1[O-] ZINC001440649180 1065958633 /nfs/dbraw/zinc/95/86/33/1065958633.db2.gz IIDYTNUEOVRDSM-UHFFFAOYSA-N -1 1 451.348 4.884 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001440837084 1065983105 /nfs/dbraw/zinc/98/31/05/1065983105.db2.gz VRVUXBPBBIDBGU-TZIWHRDSSA-N -1 1 476.476 4.608 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2)cc1 ZINC001441005638 1065999986 /nfs/dbraw/zinc/99/99/86/1065999986.db2.gz AHFKIJRWRYEYAX-XMMPIXPASA-N -1 1 450.560 4.767 20 0 JJADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)cc1 ZINC001441020111 1066001433 /nfs/dbraw/zinc/00/14/33/1066001433.db2.gz XWVWDURMGZBZOL-UHFFFAOYSA-N -1 1 452.576 4.892 20 0 JJADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC001441223863 1066016078 /nfs/dbraw/zinc/01/60/78/1066016078.db2.gz MJVUDEWTOGDRNI-VQTJNVASSA-N -1 1 458.580 4.551 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)cc2)cc1 ZINC001441247077 1066020374 /nfs/dbraw/zinc/02/03/74/1066020374.db2.gz UDBMKZXODDWTTF-NTUVXCKYSA-N -1 1 456.608 4.927 20 0 JJADMM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(I)cc2[O-])cc1 ZINC001441892941 1066079654 /nfs/dbraw/zinc/07/96/54/1066079654.db2.gz OTTBZLVPFOHQSS-AWEZNQCLSA-N -1 1 453.320 4.535 20 0 JJADMM CSc1ccc(-c2nsc([N-]C(=O)c3cc(S(=O)(=O)C(C)C)ccc3F)n2)cc1 ZINC001360955955 1066112616 /nfs/dbraw/zinc/11/26/16/1066112616.db2.gz GMJWYGMFUVXMEM-UHFFFAOYSA-N -1 1 451.570 4.501 20 0 JJADMM CC(C)Cn1ccc2cc(NC(=O)C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)ccc21 ZINC001442332050 1066116921 /nfs/dbraw/zinc/11/69/21/1066116921.db2.gz QUZNZOGPZBMDPE-UHFFFAOYSA-N -1 1 454.379 4.521 20 0 JJADMM COc1ccc(CC[C@@H](C)NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])cc1 ZINC001442507541 1066131954 /nfs/dbraw/zinc/13/19/54/1066131954.db2.gz LPWUMFJEGFUZJN-OAHLLOKOSA-N -1 1 454.473 4.682 20 0 JJADMM CC[C@@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@@H](CC)Oc1cccc(F)c1 ZINC001545950413 1066144326 /nfs/dbraw/zinc/14/43/26/1066144326.db2.gz PQUHUURUYHFQRT-VQIMIIECSA-N -1 1 499.553 4.683 20 0 JJADMM CC(C)(C)c1ccc2c(c1)CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C2 ZINC001442699870 1066152609 /nfs/dbraw/zinc/15/26/09/1066152609.db2.gz BMLWUDQTHQQVCE-UHFFFAOYSA-N -1 1 450.457 4.999 20 0 JJADMM CC(C)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC001453959885 1066225521 /nfs/dbraw/zinc/22/55/21/1066225521.db2.gz GNEMXWSLGWSVKY-UHFFFAOYSA-N -1 1 458.530 4.894 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC[C@H]3CCCOC3)ccc2C)cc1 ZINC001453977368 1066228653 /nfs/dbraw/zinc/22/86/53/1066228653.db2.gz VKCHULHZRFGXHM-OAQYLSRUSA-N -1 1 458.624 4.685 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC001454004105 1066232548 /nfs/dbraw/zinc/23/25/48/1066232548.db2.gz QGGCSSYUNKYXGJ-UHFFFAOYSA-N -1 1 456.514 4.883 20 0 JJADMM COc1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc1C)CCC2 ZINC001454035710 1066238066 /nfs/dbraw/zinc/23/80/66/1066238066.db2.gz WBYAKJGYWJEEMS-UHFFFAOYSA-N -1 1 454.523 4.537 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)cc1 ZINC001454063203 1066242060 /nfs/dbraw/zinc/24/20/60/1066242060.db2.gz UFALVRLJKRYGBV-VWLOTQADSA-N -1 1 452.551 4.990 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC001442987574 1066250499 /nfs/dbraw/zinc/25/04/99/1066250499.db2.gz NZMBHOTXZVRBML-UHFFFAOYSA-N -1 1 452.429 4.575 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001443025152 1066256076 /nfs/dbraw/zinc/25/60/76/1066256076.db2.gz YUGNHNXXDHLWRY-UNMCSNQZSA-N -1 1 456.514 4.528 20 0 JJADMM CC[C@H](C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1)c1ccc(Br)cc1 ZINC001454455904 1066284253 /nfs/dbraw/zinc/28/42/53/1066284253.db2.gz HFMVEVGGJXZKTC-SFHVURJKSA-N -1 1 451.792 4.646 20 0 JJADMM CC[C@@H](C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1)c1ccc(Br)cc1 ZINC001454455902 1066284511 /nfs/dbraw/zinc/28/45/11/1066284511.db2.gz HFMVEVGGJXZKTC-GOSISDBHSA-N -1 1 451.792 4.646 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccns3)cc2)c(C)c1C ZINC001454504196 1066294439 /nfs/dbraw/zinc/29/44/39/1066294439.db2.gz PZWSPJIJAITSOR-SFHVURJKSA-N -1 1 457.621 4.977 20 0 JJADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001443337080 1066296351 /nfs/dbraw/zinc/29/63/51/1066296351.db2.gz QWVAXNYBBSZTRS-UHFFFAOYSA-N -1 1 457.939 4.660 20 0 JJADMM O=C(NCC1(Sc2ccccc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001443387565 1066304999 /nfs/dbraw/zinc/30/49/99/1066304999.db2.gz YNVJKQYKUZJUIX-UHFFFAOYSA-N -1 1 456.564 4.681 20 0 JJADMM O=C(CNC(=O)c1c([O-])cnc2c(Br)cccc21)c1cccc(Cl)c1Cl ZINC001454696966 1066321344 /nfs/dbraw/zinc/32/13/44/1066321344.db2.gz SFNJORGNVDFBST-UHFFFAOYSA-N -1 1 454.107 4.622 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)cc2)c(C)c1C ZINC001454713401 1066324774 /nfs/dbraw/zinc/32/47/74/1066324774.db2.gz TVAZTGFWFBVBGA-SRYPRDQNSA-N -1 1 458.624 4.571 20 0 JJADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 ZINC001443583003 1066332520 /nfs/dbraw/zinc/33/25/20/1066332520.db2.gz GZPSIMJAGAKILT-LJQANCHMSA-N -1 1 456.587 4.733 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)(C)C)o3)c2)cc1 ZINC001454771665 1066332411 /nfs/dbraw/zinc/33/24/11/1066332411.db2.gz BYVDILKQYJDVPT-UHFFFAOYSA-N -1 1 456.564 4.707 20 0 JJADMM O=C(NCc1c(Cl)cccc1OC(F)F)c1c([O-])cnc2c(Br)cccc21 ZINC001454789890 1066333864 /nfs/dbraw/zinc/33/38/64/1066333864.db2.gz SFCLLWJRQBCIQY-UHFFFAOYSA-N -1 1 457.658 4.888 20 0 JJADMM CNc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454935028 1066344034 /nfs/dbraw/zinc/34/40/34/1066344034.db2.gz SNDPSLNBESCCRW-LBPRGKRZSA-N -1 1 459.390 4.560 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@](F)(c4ccccc4)C3)c2)cc1 ZINC001454940966 1066344393 /nfs/dbraw/zinc/34/43/93/1066344393.db2.gz ZBQFSXWNZVVAAJ-VWLOTQADSA-N -1 1 452.551 4.897 20 0 JJADMM CC[C@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n1 ZINC001455009932 1066353563 /nfs/dbraw/zinc/35/35/63/1066353563.db2.gz OSGRXYLBGCCSJG-SFHVURJKSA-N -1 1 453.564 4.929 20 0 JJADMM CCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001443709318 1066355398 /nfs/dbraw/zinc/35/53/98/1066355398.db2.gz JKEPWIBHHSOVRW-UHFFFAOYSA-N -1 1 458.511 4.595 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)CC3(C)C)c2)cc1 ZINC001455240342 1066374440 /nfs/dbraw/zinc/37/44/40/1066374440.db2.gz WLJHZESIMFGRNY-HNNXBMFYSA-N -1 1 450.988 4.800 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4ccc(C)cc43)c2)cc1 ZINC001443860220 1066377583 /nfs/dbraw/zinc/37/75/83/1066377583.db2.gz KXRRNFKKSZPEDJ-UHFFFAOYSA-N -1 1 450.560 4.788 20 0 JJADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001443891861 1066381743 /nfs/dbraw/zinc/38/17/43/1066381743.db2.gz ANNVCWRYCUELNL-UHFFFAOYSA-N -1 1 457.168 4.660 20 0 JJADMM CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001443947878 1066386864 /nfs/dbraw/zinc/38/68/64/1066386864.db2.gz ORICRMPVECQVHU-CQSZACIVSA-N -1 1 454.445 4.605 20 0 JJADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001443975319 1066389800 /nfs/dbraw/zinc/38/98/00/1066389800.db2.gz JRDKEYZVAIHFPB-QHCPKHFHSA-N -1 1 456.514 4.517 20 0 JJADMM CC(C)c1nsc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n1 ZINC001455481985 1066396531 /nfs/dbraw/zinc/39/65/31/1066396531.db2.gz UYLKZHDTGJQUIS-UHFFFAOYSA-N -1 1 454.936 4.507 20 0 JJADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)c1 ZINC001455507729 1066399653 /nfs/dbraw/zinc/39/96/53/1066399653.db2.gz AIEFLYROTAFLTE-XMSQKQJNSA-N -1 1 458.599 4.839 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)cc2)cc1C ZINC001455533142 1066405702 /nfs/dbraw/zinc/40/57/02/1066405702.db2.gz SIHNRQLBJCUNAV-DHIUTWEWSA-N -1 1 470.541 4.883 20 0 JJADMM C[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)[C@H]1c1ccccc1 ZINC001455646277 1066418996 /nfs/dbraw/zinc/41/89/96/1066418996.db2.gz CZDBPMXKJAAESW-WAIKUNEKSA-N -1 1 456.514 4.989 20 0 JJADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001455790302 1066431651 /nfs/dbraw/zinc/43/16/51/1066431651.db2.gz RRIFWRHCUCCETK-UZLBHIALSA-N -1 1 452.498 4.672 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccc4ncccc4c3)cc2)c1C ZINC001455798964 1066432945 /nfs/dbraw/zinc/43/29/45/1066432945.db2.gz KWGISZYCYSUZMQ-UHFFFAOYSA-N -1 1 459.571 4.625 20 0 JJADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001444247345 1066434472 /nfs/dbraw/zinc/43/44/72/1066434472.db2.gz KOFGFCUMAUKQDF-HSZRJFAPSA-N -1 1 452.551 4.782 20 0 JJADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC001444360877 1066455226 /nfs/dbraw/zinc/45/52/26/1066455226.db2.gz KFDGFFDKWJLSBV-LJQANCHMSA-N -1 1 454.567 4.947 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nc4ccc(C)nc4s3)ccc2C)c1 ZINC001455977975 1066465259 /nfs/dbraw/zinc/46/52/59/1066465259.db2.gz OMPQTGBYUQBNIL-UHFFFAOYSA-N -1 1 452.561 4.670 20 0 JJADMM CCS(=O)(CC)=NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001456052014 1066493686 /nfs/dbraw/zinc/49/36/86/1066493686.db2.gz FFXXZDFUUFVGRN-UHFFFAOYSA-N -1 1 450.626 4.741 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)Oc3ccccc3C)cc2)c1 ZINC001444815765 1066508780 /nfs/dbraw/zinc/50/87/80/1066508780.db2.gz RFDWTUVLWOUPFJ-HXUWFJFHSA-N -1 1 452.576 4.610 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](c3cccnc3)C(C)C)ccc2C)c1 ZINC001445287877 1066553781 /nfs/dbraw/zinc/55/37/81/1066553781.db2.gz MNQUKIQZOCGKNG-HSZRJFAPSA-N -1 1 451.592 4.669 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](c3cccnc3)C(C)C)cc2)c1 ZINC001445288205 1066553913 /nfs/dbraw/zinc/55/39/13/1066553913.db2.gz NJKMIDQDYOQPCV-HSZRJFAPSA-N -1 1 451.592 4.669 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001445367610 1066563301 /nfs/dbraw/zinc/56/33/01/1066563301.db2.gz QDKPVQTYHGPWSC-UHFFFAOYSA-N -1 1 450.420 4.818 20 0 JJADMM CN(Cc1cc2ccccc2o1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001445374433 1066564444 /nfs/dbraw/zinc/56/44/44/1066564444.db2.gz GRAPOMUIFOWPET-UHFFFAOYSA-N -1 1 456.470 4.784 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](C(C)C)C3)c2)cc1 ZINC001445547845 1066586840 /nfs/dbraw/zinc/58/68/40/1066586840.db2.gz AKHRJPQOCBFWJE-INIZCTEOSA-N -1 1 450.988 4.658 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](C(C)C)C3)c2)cc1 ZINC001445547858 1066586929 /nfs/dbraw/zinc/58/69/29/1066586929.db2.gz AKHRJPQOCBFWJE-MRXNPFEDSA-N -1 1 450.988 4.658 20 0 JJADMM Cc1ccc2[nH]c(C(=O)NCc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cc2c1C ZINC001445994294 1066642590 /nfs/dbraw/zinc/64/25/90/1066642590.db2.gz IWOSQIFIPVPHLV-UHFFFAOYSA-N -1 1 451.523 4.655 20 0 JJADMM COc1cc(F)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 ZINC001446022582 1066647098 /nfs/dbraw/zinc/64/70/98/1066647098.db2.gz XBQXYQXNLNWWNC-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCC[C@H]3CC)c2)cc1 ZINC001446162230 1066667544 /nfs/dbraw/zinc/66/75/44/1066667544.db2.gz VGTFSBQWVSATOJ-QVKFZJNVSA-N -1 1 450.988 4.848 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3OCC)c2)cc1 ZINC001446238790 1066677248 /nfs/dbraw/zinc/67/72/48/1066677248.db2.gz STMLLRRJPMSNBO-UHFFFAOYSA-N -1 1 454.548 4.561 20 0 JJADMM O=C([N-]c1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1coc2c1C(=O)NCCC2 ZINC001456780569 1066688635 /nfs/dbraw/zinc/68/86/35/1066688635.db2.gz FHSHETNDGLLEBE-UHFFFAOYSA-N -1 1 452.376 4.881 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3Cl)cc2)c1 ZINC001446597733 1066725015 /nfs/dbraw/zinc/72/50/15/1066725015.db2.gz DZNNHZFLYKHZSY-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM COc1cc(Br)ccc1CCCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001446694988 1066731458 /nfs/dbraw/zinc/73/14/58/1066731458.db2.gz GRMSOHQPZQOGAM-UHFFFAOYSA-N -1 1 458.308 4.598 20 0 JJADMM CC(C)[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cccnc1 ZINC001446716644 1066734247 /nfs/dbraw/zinc/73/42/47/1066734247.db2.gz VOOILPYOHGUDAK-OAQYLSRUSA-N -1 1 459.955 4.620 20 0 JJADMM CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001446809516 1066742747 /nfs/dbraw/zinc/74/27/47/1066742747.db2.gz KACOWKQUKJZPIC-GOSISDBHSA-N -1 1 450.505 4.764 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC001446809737 1066743419 /nfs/dbraw/zinc/74/34/19/1066743419.db2.gz WFTZUNHYCIDKRX-AWEZNQCLSA-N -1 1 457.361 4.938 20 0 JJADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(Br)cnc2OCC2CC2)c1 ZINC001446840177 1066746643 /nfs/dbraw/zinc/74/66/43/1066746643.db2.gz JCYGBWJFVYRPLO-UHFFFAOYSA-N -1 1 456.134 4.662 20 0 JJADMM O=C(Nc1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c([O-])c1)c1cc(F)cc(F)c1 ZINC001446978640 1066760962 /nfs/dbraw/zinc/76/09/62/1066760962.db2.gz GJZFJGOONCLKIC-FQEVSTJZSA-N -1 1 456.420 4.706 20 0 JJADMM CCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])sc1-c1ccccc1 ZINC001447264207 1066786362 /nfs/dbraw/zinc/78/63/62/1066786362.db2.gz OPYOBUUSNGINFT-UHFFFAOYSA-N -1 1 456.589 4.720 20 0 JJADMM O=C(Nc1ccc(O)cc1F)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001546088611 1066788169 /nfs/dbraw/zinc/78/81/69/1066788169.db2.gz VWGBRMQTANGSBP-UHFFFAOYSA-N -1 1 455.294 4.891 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC(=O)C(C)(C)C)cc2)c(C)c1C ZINC001457280201 1066802672 /nfs/dbraw/zinc/80/26/72/1066802672.db2.gz JDTQXYNZIJVIAK-UHFFFAOYSA-N -1 1 458.624 4.717 20 0 JJADMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c(=O)[nH]1 ZINC001447441261 1066809908 /nfs/dbraw/zinc/80/99/08/1066809908.db2.gz DNEUIVSOTJYIDH-UHFFFAOYSA-N -1 1 453.564 4.755 20 0 JJADMM C[C@@H](Oc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445357 1066810330 /nfs/dbraw/zinc/81/03/30/1066810330.db2.gz HOTHRZGZDBZMJG-SPLOXXLWSA-N -1 1 451.889 4.652 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC001447455071 1066811666 /nfs/dbraw/zinc/81/16/66/1066811666.db2.gz QOYYFBUPPOSACP-HJPURHCSSA-N -1 1 453.539 4.553 20 0 JJADMM CCc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc1F)CC2 ZINC001457371358 1066818416 /nfs/dbraw/zinc/81/84/16/1066818416.db2.gz KONJRVGLXICBHT-UHFFFAOYSA-N -1 1 456.514 4.527 20 0 JJADMM Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001447529861 1066818928 /nfs/dbraw/zinc/81/89/28/1066818928.db2.gz HXDLBVDBHFTBKM-UHFFFAOYSA-N -1 1 456.543 4.578 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C4CCCC4)nn3C)cc2)ccc1F ZINC001447536445 1066819692 /nfs/dbraw/zinc/81/96/92/1066819692.db2.gz WVEBAIFWJJVCMM-UHFFFAOYSA-N -1 1 456.543 4.578 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C(F)(F)F)CC[C@@H]3C)c2)c1 ZINC001447594408 1066827450 /nfs/dbraw/zinc/82/74/50/1066827450.db2.gz JHOPKXBKQHRMJD-IRXDYDNUSA-N -1 1 454.514 4.907 20 0 JJADMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1)c1ccc(OC)cc1 ZINC001457508494 1066846542 /nfs/dbraw/zinc/84/65/42/1066846542.db2.gz VUJCFSGXUPANNB-JOCHJYFZSA-N -1 1 456.539 4.825 20 0 JJADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(C(F)F)c3)cc2)cc1 ZINC001447722101 1066847019 /nfs/dbraw/zinc/84/70/19/1066847019.db2.gz ZOXYREPNOFIBOP-UHFFFAOYSA-N -1 1 458.486 4.558 20 0 JJADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001457516860 1066848951 /nfs/dbraw/zinc/84/89/51/1066848951.db2.gz GKXSZCGHZXSWQJ-FZKQIMNGSA-N -1 1 458.552 4.802 20 0 JJADMM Cc1ccc(C2(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c([O-])c3)CCOCC2)cc1C ZINC001447784896 1066856453 /nfs/dbraw/zinc/85/64/53/1066856453.db2.gz HRCNRPYQNKPYHU-UHFFFAOYSA-N -1 1 450.579 4.758 20 0 JJADMM O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(Br)c([O-])c1 ZINC001457564265 1066862670 /nfs/dbraw/zinc/86/26/70/1066862670.db2.gz ZEXWFPFNZQJYLY-LJQANCHMSA-N -1 1 457.393 4.746 20 0 JJADMM O=C(c1ccc(Br)c([O-])c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001457568943 1066865351 /nfs/dbraw/zinc/86/53/51/1066865351.db2.gz ZWANUUYMFMRQJE-UHFFFAOYSA-N -1 1 450.130 4.597 20 0 JJADMM O=C(Nc1cc(-c2ccccc2F)no1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC001457609565 1066877239 /nfs/dbraw/zinc/87/72/39/1066877239.db2.gz UPXQSYIIJIGSMC-UHFFFAOYSA-N -1 1 453.376 4.969 20 0 JJADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001447983084 1066888154 /nfs/dbraw/zinc/88/81/54/1066888154.db2.gz QDNOILAZJIYZIW-UHFFFAOYSA-N -1 1 453.583 4.763 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCC(C)(C)O3)cc2)c(C)c1C ZINC001448168005 1066906280 /nfs/dbraw/zinc/90/62/80/1066906280.db2.gz ZAGUESODDFKPKQ-JOCHJYFZSA-N -1 1 458.624 4.717 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCC[C@@H]3C)c2)cc1 ZINC001448298573 1066916566 /nfs/dbraw/zinc/91/65/66/1066916566.db2.gz DQYYCXVZJISVRQ-HOTGVXAUSA-N -1 1 450.988 4.706 20 0 JJADMM CSc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2)cc1 ZINC001457781707 1066918452 /nfs/dbraw/zinc/91/84/52/1066918452.db2.gz UGTIRQHKGRIJOX-UHFFFAOYSA-N -1 1 458.580 4.629 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCc3cc(F)cc(C)c3C2)c1 ZINC001448353741 1066918713 /nfs/dbraw/zinc/91/87/13/1066918713.db2.gz INHVWAFPGLPKJF-UHFFFAOYSA-N -1 1 452.551 4.750 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC(C)(C)COCc3ccccc3)c2)cc1 ZINC001448367849 1066920402 /nfs/dbraw/zinc/92/04/02/1066920402.db2.gz GSZDKTKCANEEEW-UHFFFAOYSA-N -1 1 452.576 4.521 20 0 JJADMM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc(-c2csnn2)cc1 ZINC001457789706 1066921385 /nfs/dbraw/zinc/92/13/85/1066921385.db2.gz WJEJWNMCABTTHI-UHFFFAOYSA-N -1 1 455.131 4.688 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC[C@H](C)c3ccccc3)c2)cc1 ZINC001448509748 1066935259 /nfs/dbraw/zinc/93/52/59/1066935259.db2.gz QBHPVPLQXDSBJD-IBGZPJMESA-N -1 1 452.576 4.810 20 0 JJADMM COc1ccc2c(c1)oc(C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c2-c1ccccc1 ZINC001457900198 1066938717 /nfs/dbraw/zinc/93/87/17/1066938717.db2.gz DGXZHZRKCBIPIZ-KSSFIOAISA-N -1 1 460.452 4.780 20 0 JJADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n[n-]1 ZINC001448629445 1066945235 /nfs/dbraw/zinc/94/52/35/1066945235.db2.gz ISCGPCOUKSWSCS-IBGZPJMESA-N -1 1 456.930 4.944 20 0 JJADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)[n-]1 ZINC001448629445 1066945245 /nfs/dbraw/zinc/94/52/45/1066945245.db2.gz ISCGPCOUKSWSCS-IBGZPJMESA-N -1 1 456.930 4.944 20 0 JJADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC001448629445 1066945254 /nfs/dbraw/zinc/94/52/54/1066945254.db2.gz ISCGPCOUKSWSCS-IBGZPJMESA-N -1 1 456.930 4.944 20 0 JJADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)n[n-]1 ZINC001448636655 1066945885 /nfs/dbraw/zinc/94/58/85/1066945885.db2.gz WIWOMXQWZUNRDR-FQEVSTJZSA-N -1 1 452.580 4.791 20 0 JJADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)[n-]1 ZINC001448636655 1066945891 /nfs/dbraw/zinc/94/58/91/1066945891.db2.gz WIWOMXQWZUNRDR-FQEVSTJZSA-N -1 1 452.580 4.791 20 0 JJADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)n1 ZINC001448636655 1066945901 /nfs/dbraw/zinc/94/59/01/1066945901.db2.gz WIWOMXQWZUNRDR-FQEVSTJZSA-N -1 1 452.580 4.791 20 0 JJADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001448648187 1066946343 /nfs/dbraw/zinc/94/63/43/1066946343.db2.gz KWQCNLOCVYFLBP-SFHVURJKSA-N -1 1 458.942 4.910 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCO[C@H]3C3CC3)c2)cc1 ZINC001457998243 1066954540 /nfs/dbraw/zinc/95/45/40/1066954540.db2.gz ROXGCUHDUOZDRE-PKTZIBPZSA-N -1 1 477.026 4.781 20 0 JJADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001545695137 1066962542 /nfs/dbraw/zinc/96/25/42/1066962542.db2.gz HFKSIRDUBZMMTL-BJKOFHAPSA-N -1 1 452.551 4.609 20 0 JJADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc(I)cc1 ZINC001449123950 1066984203 /nfs/dbraw/zinc/98/42/03/1066984203.db2.gz VMEMOVPJHUUWPO-UHFFFAOYSA-N -1 1 452.473 4.665 20 0 JJADMM Cc1cccc(-c2noc(SCC(=O)Nc3c([O-])cc(Br)cc3Cl)n2)c1 ZINC001449123181 1066984263 /nfs/dbraw/zinc/98/42/63/1066984263.db2.gz SZKNHGDWZBRUIX-UHFFFAOYSA-N -1 1 454.733 4.897 20 0 JJADMM O=S(=O)([N-]c1cccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)c1ccccc1 ZINC001458206177 1067002753 /nfs/dbraw/zinc/00/27/53/1067002753.db2.gz UPQNVIXMOHWODJ-UHFFFAOYSA-N -1 1 457.451 4.573 20 0 JJADMM CCCn1ncc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1C1CC1 ZINC001449953740 1067038867 /nfs/dbraw/zinc/03/88/67/1067038867.db2.gz SCWPVJVGMKINGO-UHFFFAOYSA-N -1 1 456.543 4.671 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C[C@@H]3C)c2)c1 ZINC001450011056 1067041431 /nfs/dbraw/zinc/04/14/31/1067041431.db2.gz UJFZWKRYOPVKJQ-FUHWJXTLSA-N -1 1 454.514 4.907 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)c2)cc1F ZINC001450063979 1067046290 /nfs/dbraw/zinc/04/62/90/1067046290.db2.gz KHPCTUYXONHOSH-QFIPXVFZSA-N -1 1 453.539 4.553 20 0 JJADMM O=C(NCC1CC(F)(F)C1)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC001450111792 1067049678 /nfs/dbraw/zinc/04/96/78/1067049678.db2.gz HDNWLWUHHPKLBZ-UHFFFAOYSA-N -1 1 456.514 4.930 20 0 JJADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1Cl ZINC001450172993 1067057522 /nfs/dbraw/zinc/05/75/22/1067057522.db2.gz SLMVMELDVBGSCU-ZDUSSCGKSA-N -1 1 450.894 4.910 20 0 JJADMM CSCC1CCC(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)CC1 ZINC001450193597 1067058751 /nfs/dbraw/zinc/05/87/51/1067058751.db2.gz MKBTWOJBTMEBED-UHFFFAOYSA-N -1 1 450.601 4.587 20 0 JJADMM CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[O-])Cc1ccccc1 ZINC001450277558 1067068370 /nfs/dbraw/zinc/06/83/70/1067068370.db2.gz LZUOFCUDHUHWBY-QGZVFWFLSA-N -1 1 452.473 4.619 20 0 JJADMM CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3c([O-])cnc4c(F)cccc43)ccc21 ZINC001450289910 1067069596 /nfs/dbraw/zinc/06/95/96/1067069596.db2.gz ZYKVMCFQHGUGDP-UHFFFAOYSA-N -1 1 451.498 4.697 20 0 JJADMM CC(C)c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])CC2)cc1 ZINC001450527324 1067086238 /nfs/dbraw/zinc/08/62/38/1067086238.db2.gz WDTPGKNUIBNSJV-UHFFFAOYSA-N -1 1 453.583 4.821 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3Cc4ccccc4O[C@H](C)C3)ccc2C)cc1 ZINC001450544953 1067088854 /nfs/dbraw/zinc/08/88/54/1067088854.db2.gz BXPSVWQDPKFZTH-LJQANCHMSA-N -1 1 450.560 4.528 20 0 JJADMM CCSCc1ccnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 ZINC001545799299 1067105007 /nfs/dbraw/zinc/10/50/07/1067105007.db2.gz BALPQQFIWBDQRU-UHFFFAOYSA-N -1 1 459.568 4.835 20 0 JJADMM O=C(NCCC1CC(F)(F)C1)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC001450979267 1067137942 /nfs/dbraw/zinc/13/79/42/1067137942.db2.gz XWDQOGHXMLBDCK-UHFFFAOYSA-N -1 1 453.283 4.572 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c([O-])c1 ZINC001546028467 1067148185 /nfs/dbraw/zinc/14/81/85/1067148185.db2.gz HHQDCTXCSGTLGI-UHFFFAOYSA-N -1 1 454.445 4.748 20 0 JJADMM Cc1ccc(CC(C)(C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC001451718098 1067187595 /nfs/dbraw/zinc/18/75/95/1067187595.db2.gz CBJLIVKNNJFWKC-UHFFFAOYSA-N -1 1 454.567 4.994 20 0 JJADMM O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001452061109 1067205475 /nfs/dbraw/zinc/20/54/75/1067205475.db2.gz UBCHNLWSVFNAEW-UHFFFAOYSA-N -1 1 458.952 4.845 20 0 JJADMM COc1ccccc1C1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CC1 ZINC001452084287 1067206409 /nfs/dbraw/zinc/20/64/09/1067206409.db2.gz COQQCTUFSQZDSP-UHFFFAOYSA-N -1 1 450.560 4.532 20 0 JJADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001452172720 1067212085 /nfs/dbraw/zinc/21/20/85/1067212085.db2.gz AQSFJTNZVDROKQ-OAHLLOKOSA-N -1 1 453.791 4.579 20 0 JJADMM O=C(N[C@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC001452266323 1067217363 /nfs/dbraw/zinc/21/73/63/1067217363.db2.gz LIKNMUGBPZWVDU-RUZDIDTESA-N -1 1 455.510 4.604 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCC[C@@H]3CC3(Cl)Cl)c2)c1 ZINC001452686190 1067243298 /nfs/dbraw/zinc/24/32/98/1067243298.db2.gz AVWVQDMLVSBLBE-QGZVFWFLSA-N -1 1 455.407 4.808 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCC[C@H]2CC2(Cl)Cl)c1 ZINC001452689471 1067244385 /nfs/dbraw/zinc/24/43/85/1067244385.db2.gz HVFZIUYXTIELBG-INIZCTEOSA-N -1 1 455.407 4.808 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC(C)(C)OC[C@H]3CC)c2)cc1 ZINC001452931698 1067265683 /nfs/dbraw/zinc/26/56/83/1067265683.db2.gz JEAURUCDLRAZNC-JOCHJYFZSA-N -1 1 458.624 4.860 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)c1 ZINC001546106866 1067265494 /nfs/dbraw/zinc/26/54/94/1067265494.db2.gz PGAVAZVPHLJFDS-LJQANCHMSA-N -1 1 453.004 4.845 20 0 JJADMM C[C@@H](CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001453127536 1067282020 /nfs/dbraw/zinc/28/20/20/1067282020.db2.gz KVOKAGZJWPKANG-NDXORKPFSA-N -1 1 450.476 4.773 20 0 JJADMM CCOc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc(Cl)c1[O-] ZINC001453587748 1067316524 /nfs/dbraw/zinc/31/65/24/1067316524.db2.gz JIFQGOFGPAGMEM-CRAIPNDOSA-N -1 1 454.995 4.990 20 0 JJADMM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001453636167 1067319876 /nfs/dbraw/zinc/31/98/76/1067319876.db2.gz KWRBZYPNESCWBN-JOCHJYFZSA-N -1 1 455.967 4.807 20 0 JJADMM Cc1ccc(SCCC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001453670568 1067320736 /nfs/dbraw/zinc/32/07/36/1067320736.db2.gz ITLKMDAHFVVTNJ-WOJBJXKFSA-N -1 1 450.526 4.540 20 0 JJADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)cc1 ZINC001453878751 1067333417 /nfs/dbraw/zinc/33/34/17/1067333417.db2.gz NTMXFEXRAJNILJ-GOTSBHOMSA-N -1 1 452.551 4.857 20 0 JJADMM CC(C)c1ccc(C2(C(=O)N3CCC([C@@H]4OCC[C@H]4[N-]C(=O)C(F)(F)F)CC3)CCCC2)cc1 ZINC001460042753 1067537599 /nfs/dbraw/zinc/53/75/99/1067537599.db2.gz WIZXOGNUPVQZOE-YADHBBJMSA-N -1 1 480.571 4.696 20 0 JJADMM Cc1ccccc1Sc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC001546114565 1067578546 /nfs/dbraw/zinc/57/85/46/1067578546.db2.gz VRMZCIYXNVOYNA-UHFFFAOYSA-N -1 1 454.573 4.545 20 0 JJADMM CCCCOc1ccc(-c2nnc(CN3CCN(Cc4ccc([O-])c(Cl)c4)CC3)o2)cc1 ZINC001460648245 1067685846 /nfs/dbraw/zinc/68/58/46/1067685846.db2.gz VBNZZHGOVIAFCN-UHFFFAOYSA-N -1 1 456.974 4.592 20 0 JJADMM O=C(CC[C@@H]1CCc2ccccc21)N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001461419712 1067852069 /nfs/dbraw/zinc/85/20/69/1067852069.db2.gz PPIKDUNDAYATJD-HSQYWUDLSA-N -1 1 462.487 4.699 20 0 JJADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c1F ZINC001462789078 1068167842 /nfs/dbraw/zinc/16/78/42/1068167842.db2.gz ANAZMXSCMRZCPS-GOSISDBHSA-N -1 1 457.907 4.534 20 0 JJADMM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001462888601 1068204017 /nfs/dbraw/zinc/20/40/17/1068204017.db2.gz UPKZEZQIZBYZKM-SECBINFHSA-N -1 1 457.148 4.641 20 0 JJADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](c2ccc(CC(C)C)cc2)C2CC2)c1F ZINC001462984096 1068239291 /nfs/dbraw/zinc/23/92/91/1068239291.db2.gz NXDJTDWCBLSXRO-OAQYLSRUSA-N -1 1 453.963 4.894 20 0 JJADMM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc(Br)cnc1Cl ZINC001463052836 1068267023 /nfs/dbraw/zinc/26/70/23/1068267023.db2.gz GDEFYPXFECKEQK-OAHLLOKOSA-N -1 1 450.185 4.971 20 0 JJADMM O=S(=O)([N-]CC1(c2cccs2)CCCCC1)c1cc(Br)c(F)cc1F ZINC001463132650 1068297875 /nfs/dbraw/zinc/29/78/75/1068297875.db2.gz HENMLLQZFXFLJA-UHFFFAOYSA-N -1 1 450.370 4.969 20 0 JJADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2Cl)c2ccccc2OC)c(F)c1 ZINC001463165919 1068308419 /nfs/dbraw/zinc/30/84/19/1068308419.db2.gz FWOXQLSIJNZWKJ-HXUWFJFHSA-N -1 1 453.894 4.703 20 0 JJADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCCCC1 ZINC001463333544 1068359884 /nfs/dbraw/zinc/35/98/84/1068359884.db2.gz FMFHAJMNQOYQSX-PIIWDFAUSA-N -1 1 459.008 4.833 20 0 JJADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1C ZINC001463381910 1068378567 /nfs/dbraw/zinc/37/85/67/1068378567.db2.gz KICSANILBCESKC-GOSISDBHSA-N -1 1 454.331 4.749 20 0 JJADMM Cc1c(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001463411701 1068388737 /nfs/dbraw/zinc/38/87/37/1068388737.db2.gz MMWUTRDTZLTFIK-IBGZPJMESA-N -1 1 457.905 4.676 20 0 JJADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)CC3 ZINC001463419551 1068391763 /nfs/dbraw/zinc/39/17/63/1068391763.db2.gz SVICXZQACQABBF-JTQLQIEISA-N -1 1 459.818 4.790 20 0 JJADMM C[C@@H]1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001463465879 1068410092 /nfs/dbraw/zinc/41/00/92/1068410092.db2.gz CHCCLRVYEGLWJT-VFNWGFHPSA-N -1 1 475.486 4.822 20 0 JJADMM CCNc1ncc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)s1 ZINC001463565098 1068446465 /nfs/dbraw/zinc/44/64/65/1068446465.db2.gz QSSXREXSIVNUAC-UHFFFAOYSA-N -1 1 450.973 4.590 20 0 JJADMM Cc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463566169 1068447505 /nfs/dbraw/zinc/44/75/05/1068447505.db2.gz XNGWNXBUEFBGDJ-YWZLYKJASA-N -1 1 450.988 4.983 20 0 JJADMM C/C=C(/C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(OCC)c(Br)c2)c1 ZINC001463595500 1068460248 /nfs/dbraw/zinc/46/02/48/1068460248.db2.gz MCGCNCDKVSSQEQ-PQMHYQBVSA-N -1 1 453.358 4.553 20 0 JJADMM CC(C)c1nocc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001463621713 1068469979 /nfs/dbraw/zinc/46/99/79/1068469979.db2.gz XSYSSFAFAKTPPO-UHFFFAOYSA-N -1 1 453.442 4.870 20 0 JJADMM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c(Cl)cc(F)cc1Cl ZINC001463653615 1068482287 /nfs/dbraw/zinc/48/22/87/1068482287.db2.gz FUFROGWGCOFKPO-LKFCYVNXSA-N -1 1 457.123 4.869 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3C[C@H]4CCCC[C@@H](C3)C4=O)ccc2C)c1 ZINC001463672654 1068489743 /nfs/dbraw/zinc/48/97/43/1068489743.db2.gz CLCRPNZFZAZODB-YOFSQIOKSA-N -1 1 454.592 4.828 20 0 JJADMM O=S(=O)([N-]C[C@H]1CSc2ccccc21)c1ccc(Br)c(Cl)c1Cl ZINC001463758544 1068514812 /nfs/dbraw/zinc/51/48/12/1068514812.db2.gz IFAPHEPKJNXZGB-VIFPVBQESA-N -1 1 453.210 4.924 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC001463809253 1068532749 /nfs/dbraw/zinc/53/27/49/1068532749.db2.gz JEELCFUUVLUFOR-NNMXDRDESA-N -1 1 456.608 4.975 20 0 JJADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccnc1SC(F)(F)F ZINC001463881954 1068554483 /nfs/dbraw/zinc/55/44/83/1068554483.db2.gz OBWXWONYGJYCBL-UHFFFAOYSA-N -1 1 453.467 4.747 20 0 JJADMM COc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C(C)C)cc1 ZINC001463889512 1068556775 /nfs/dbraw/zinc/55/67/75/1068556775.db2.gz JXUJXNFPSGTZDO-XMMPIXPASA-N -1 1 452.576 4.932 20 0 JJADMM COc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC001463908913 1068562204 /nfs/dbraw/zinc/56/22/04/1068562204.db2.gz ZGYPWXKWRJVMOK-UHFFFAOYSA-N -1 1 450.560 4.706 20 0 JJADMM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(Br)cc1[O-] ZINC001463916795 1068564734 /nfs/dbraw/zinc/56/47/34/1068564734.db2.gz QWFMXIKDICUSDG-UHFFFAOYSA-N -1 1 450.720 4.509 20 0 JJADMM CC(C)(C)OC(=O)[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC001464012115 1068588204 /nfs/dbraw/zinc/58/82/04/1068588204.db2.gz XLLHTZCSHAHPMO-GOSISDBHSA-N -1 1 450.409 4.633 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N(Cc3cccs3)C3CC3)c([O-])c2)c1 ZINC001464016631 1068590086 /nfs/dbraw/zinc/59/00/86/1068590086.db2.gz TVOBHRGPLLYXIO-UHFFFAOYSA-N -1 1 452.532 4.528 20 0 JJADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001464077539 1068607762 /nfs/dbraw/zinc/60/77/62/1068607762.db2.gz MLPXRGVJDXJVBL-UHFFFAOYSA-N -1 1 451.280 4.984 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1SC1CCCC1 ZINC001464098263 1068614608 /nfs/dbraw/zinc/61/46/08/1068614608.db2.gz BZKGMPIVIOLPOF-UHFFFAOYSA-N -1 1 459.420 4.945 20 0 JJADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)C1 ZINC001464102710 1068616024 /nfs/dbraw/zinc/61/60/24/1068616024.db2.gz KBXASVGUMFRMNQ-KDOFPFPSSA-N -1 1 451.386 4.558 20 0 JJADMM CC[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1sccc1Br ZINC001464152686 1068634867 /nfs/dbraw/zinc/63/48/67/1068634867.db2.gz TWPFUVLPDUSNQZ-GFCCVEGCSA-N -1 1 453.221 4.573 20 0 JJADMM Cc1ccc(-c2nc(C(=O)Nc3cccc([N-]S(=O)(=O)c4ccccc4)c3)cs2)n1C ZINC001464157765 1068636882 /nfs/dbraw/zinc/63/68/82/1068636882.db2.gz HAEKPVVXDOBXQG-UHFFFAOYSA-N -1 1 452.561 4.510 20 0 JJADMM O=C(Cc1ccccc1OC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001464178643 1068644352 /nfs/dbraw/zinc/64/43/52/1068644352.db2.gz DXUPFFVHJZQNSW-UHFFFAOYSA-N -1 1 450.560 4.990 20 0 JJADMM CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)c1cc(C)ccc1C ZINC001464266098 1068682097 /nfs/dbraw/zinc/68/20/97/1068682097.db2.gz FQYAPYICVMBBIY-CJAUYULYSA-N -1 1 459.431 4.508 20 0 JJADMM CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC001464293402 1068694819 /nfs/dbraw/zinc/69/48/19/1068694819.db2.gz LMKZANUWEARYHI-RDJZCZTQSA-N -1 1 454.514 4.561 20 0 JJADMM O=S(=O)([N-]Cc1noc2ccc(F)cc12)c1cc(Br)c(Cl)cc1Cl ZINC001464297248 1068696463 /nfs/dbraw/zinc/69/64/63/1068696463.db2.gz SUSRJZQQHWMCGH-UHFFFAOYSA-N -1 1 454.104 4.515 20 0 JJADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl)C(=O)c1ccccc1 ZINC001464366448 1068720609 /nfs/dbraw/zinc/72/06/09/1068720609.db2.gz BORKLEMTJVBBLM-AWEZNQCLSA-N -1 1 451.169 4.696 20 0 JJADMM Cc1cccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)c1 ZINC001464369122 1068721278 /nfs/dbraw/zinc/72/12/78/1068721278.db2.gz CFRFIXZIICEILH-QGZVFWFLSA-N -1 1 458.967 4.647 20 0 JJADMM CCc1ccc2ccccc2c1C[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC001464487311 1068763566 /nfs/dbraw/zinc/76/35/66/1068763566.db2.gz YWYRUJLPSUORGW-UHFFFAOYSA-N -1 1 452.910 4.771 20 0 JJADMM O=S(=O)([N-]Cc1nccc2c1CCCC2)c1ccc(Br)c(Cl)c1Cl ZINC001464502210 1068767470 /nfs/dbraw/zinc/76/74/70/1068767470.db2.gz KIDYFTYLGRQYGX-UHFFFAOYSA-N -1 1 450.185 4.508 20 0 JJADMM Cc1ccc(OCCCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1 ZINC001464616675 1068800900 /nfs/dbraw/zinc/80/09/00/1068800900.db2.gz IEEZJBXWBYVMOY-UHFFFAOYSA-N -1 1 458.967 4.648 20 0 JJADMM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001464630579 1068804274 /nfs/dbraw/zinc/80/42/74/1068804274.db2.gz ULZREQAODWMMKO-JOCHJYFZSA-N -1 1 456.539 4.906 20 0 JJADMM O=C([N-]c1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1ncc(Br)cn1 ZINC001435196934 1064585124 /nfs/dbraw/zinc/58/51/24/1064585124.db2.gz AMCRFEOSQALJOC-UHFFFAOYSA-N -1 1 454.309 4.802 20 0 JJADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001359935552 1064678551 /nfs/dbraw/zinc/67/85/51/1064678551.db2.gz ITHYYQGRDSTQDS-QFIPXVFZSA-N -1 1 458.555 4.747 20 0 JJADMM CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001359997610 1064783399 /nfs/dbraw/zinc/78/33/99/1064783399.db2.gz LFUZQEZNMUVBLG-UHFFFAOYSA-N -1 1 478.346 4.803 20 0 JJADMM CC(C)COc1ccccc1Cn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360054470 1064883559 /nfs/dbraw/zinc/88/35/59/1064883559.db2.gz LCGNFHVOGCSASO-UHFFFAOYSA-N -1 1 495.590 4.554 20 0 JJADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC001436001662 1065102695 /nfs/dbraw/zinc/10/26/95/1065102695.db2.gz JTBUCCAKRKQOTN-MRXNPFEDSA-N -1 1 458.502 4.743 20 0 JJADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1)C(F)(F)F ZINC001436560074 1065362426 /nfs/dbraw/zinc/36/24/26/1065362426.db2.gz YIEJDWSBTOXBDT-LBPRGKRZSA-N -1 1 453.511 4.556 20 0 JJADMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1)C(F)(F)F ZINC001436560071 1065362518 /nfs/dbraw/zinc/36/25/18/1065362518.db2.gz YIEJDWSBTOXBDT-GFCCVEGCSA-N -1 1 453.511 4.556 20 0 JJADMM C[C@@H](CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001436913359 1065469594 /nfs/dbraw/zinc/46/95/94/1065469594.db2.gz PWZLXCGODOVRFD-SUMWQHHRSA-N -1 1 458.402 4.835 20 0 JJADMM CCCCSc1ccc(C(=O)Nc2nc3nc(CCC)cc(=O)n3[n-]2)cc1C(F)(F)F ZINC001438061143 1065663215 /nfs/dbraw/zinc/66/32/15/1065663215.db2.gz GNKJICGEVJMDSM-UHFFFAOYSA-N -1 1 453.490 4.533 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4C(F)(F)C3)cc2)cc1C ZINC001545914378 1065701157 /nfs/dbraw/zinc/70/11/57/1065701157.db2.gz JXCDVPYCIDGTOM-UHFFFAOYSA-N -1 1 456.514 4.852 20 0 JJADMM CCCOc1ccc(C(=O)Nc2nc(Cl)c(C(=O)OCC)[n-]2)c(OCc2ccccc2)c1 ZINC001439495938 1065834533 /nfs/dbraw/zinc/83/45/33/1065834533.db2.gz HUUZYXBTQPVXLJ-UHFFFAOYSA-N -1 1 457.914 4.860 20 0 JJADMM CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001440303378 1065929877 /nfs/dbraw/zinc/92/98/77/1065929877.db2.gz GEKXBXACNVWUCI-UHFFFAOYSA-N -1 1 458.540 4.502 20 0 JJADMM COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(C)c1 ZINC001440382800 1065935263 /nfs/dbraw/zinc/93/52/63/1065935263.db2.gz HEKFWDOJSWLXPE-UHFFFAOYSA-N -1 1 458.967 4.947 20 0 JJADMM Cc1ccc(NC(=O)C[C@@H]2CSCCS2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440383050 1065935330 /nfs/dbraw/zinc/93/53/30/1065935330.db2.gz IAIZPFHZSCHBKC-QGZVFWFLSA-N -1 1 457.042 4.626 20 0 JJADMM Cc1cnc2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)ccn12 ZINC001440384714 1065936201 /nfs/dbraw/zinc/93/62/01/1065936201.db2.gz KRCVDTBHYMJAKW-UHFFFAOYSA-N -1 1 454.939 4.658 20 0 JJADMM CCOCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC001440392595 1065937830 /nfs/dbraw/zinc/93/78/30/1065937830.db2.gz ZTLZOSZIKGWHJV-UHFFFAOYSA-N -1 1 450.988 4.985 20 0 JJADMM CC1(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001360832766 1065944289 /nfs/dbraw/zinc/94/42/89/1065944289.db2.gz AWTAGGVMIPMEEP-UHFFFAOYSA-N -1 1 499.965 4.596 20 0 JJADMM O=C(NCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001440511073 1065945876 /nfs/dbraw/zinc/94/58/76/1065945876.db2.gz UYDUKUHCACTMCZ-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM CCCC[C@@H](O)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001440515993 1065946262 /nfs/dbraw/zinc/94/62/62/1065946262.db2.gz IVGYRWMBPYVVSQ-GOSISDBHSA-N -1 1 458.502 4.776 20 0 JJADMM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC001440576118 1065951400 /nfs/dbraw/zinc/95/14/00/1065951400.db2.gz GLFWDBYNHOCCHI-IBGZPJMESA-N -1 1 452.576 4.930 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccc(OC(C)C)cc3)cc2)cc1 ZINC001440644012 1065957275 /nfs/dbraw/zinc/95/72/75/1065957275.db2.gz FWOUVDJKFKYQGS-UHFFFAOYSA-N -1 1 452.576 4.556 20 0 JJADMM C[C@@H]1CCc2nc(NC(=O)c3c[n-]c4c(Cl)cc(Br)cc4c3=O)sc2C1 ZINC001440659706 1065960082 /nfs/dbraw/zinc/96/00/82/1065960082.db2.gz RPGGYVPUPCVYOE-MRVPVSSYSA-N -1 1 452.761 4.778 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCC1(c2ccccc2)CCC1 ZINC001440833074 1065983133 /nfs/dbraw/zinc/98/31/33/1065983133.db2.gz NDMWADSFYNVTCX-UHFFFAOYSA-N -1 1 452.551 4.787 20 0 JJADMM CCCOc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)c1 ZINC001441233347 1066017271 /nfs/dbraw/zinc/01/72/71/1066017271.db2.gz CDLWRAQGNIMSHF-UHFFFAOYSA-N -1 1 454.548 4.927 20 0 JJADMM Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])cc2)n1 ZINC001441378040 1066036466 /nfs/dbraw/zinc/03/64/66/1066036466.db2.gz ZCWFWJMUIBBFPH-UHFFFAOYSA-N -1 1 450.539 4.514 20 0 JJADMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc2cccc(O)c21 ZINC001441389917 1066036835 /nfs/dbraw/zinc/03/68/35/1066036835.db2.gz MXVHTNCNQDZTCY-UHFFFAOYSA-N -1 1 454.454 4.877 20 0 JJADMM CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001441400958 1066037786 /nfs/dbraw/zinc/03/77/86/1066037786.db2.gz DVKJNCYKPHEAQZ-UHFFFAOYSA-N -1 1 457.508 4.680 20 0 JJADMM O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC001441567629 1066051701 /nfs/dbraw/zinc/05/17/01/1066051701.db2.gz YHZAJTLPCSEGFI-IBGZPJMESA-N -1 1 454.299 4.815 20 0 JJADMM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)s1 ZINC001441604824 1066053091 /nfs/dbraw/zinc/05/30/91/1066053091.db2.gz XYIWICWZLMIMBX-UHFFFAOYSA-N -1 1 454.495 4.806 20 0 JJADMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2)ccc1F ZINC001441880375 1066076850 /nfs/dbraw/zinc/07/68/50/1066076850.db2.gz HOMXESKHOYNQAO-UHFFFAOYSA-N -1 1 452.866 4.680 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)COc3cccc(C)c3)ccc2C)cc1 ZINC001441993830 1066084989 /nfs/dbraw/zinc/08/49/89/1066084989.db2.gz XUSSRLXBVWKRFA-HXUWFJFHSA-N -1 1 452.576 4.610 20 0 JJADMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC001442065327 1066089070 /nfs/dbraw/zinc/08/90/70/1066089070.db2.gz VGTNVJHABVFTPJ-ZDUSSCGKSA-N -1 1 459.365 4.830 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1)OCC(F)(F)F ZINC001442651127 1066146938 /nfs/dbraw/zinc/14/69/38/1066146938.db2.gz BNVFWBKZYPONFK-UHFFFAOYSA-N -1 1 452.307 4.696 20 0 JJADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])CC2 ZINC001442718327 1066154646 /nfs/dbraw/zinc/15/46/46/1066154646.db2.gz MBIJZTISBRLAGX-UHFFFAOYSA-N -1 1 456.539 4.735 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)c3ccc(F)cc3)cc2)cc1 ZINC001442751987 1066156866 /nfs/dbraw/zinc/15/68/66/1066156866.db2.gz UAPSJFUNHFXODJ-QGZVFWFLSA-N -1 1 456.539 4.559 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC001442751986 1066156887 /nfs/dbraw/zinc/15/68/87/1066156887.db2.gz UAPSJFUNHFXODJ-KRWDZBQOSA-N -1 1 456.539 4.559 20 0 JJADMM Cc1cccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001361007096 1066185779 /nfs/dbraw/zinc/18/57/79/1066185779.db2.gz DWSFJMWTTASJKF-SFHVURJKSA-N -1 1 479.591 4.874 20 0 JJADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N(Cc1ccsc1)c1ccccc1 ZINC001442907158 1066238841 /nfs/dbraw/zinc/23/88/41/1066238841.db2.gz PBTURGHVYAMAFT-UHFFFAOYSA-N -1 1 455.388 4.567 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(F)(F)c3ccccc3C)cc2)cc1C ZINC001454064475 1066242567 /nfs/dbraw/zinc/24/25/67/1066242567.db2.gz SCKKZIJVFSEYCC-UHFFFAOYSA-N -1 1 458.530 4.934 20 0 JJADMM O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC001442965278 1066246871 /nfs/dbraw/zinc/24/68/71/1066246871.db2.gz IDWYLBBYDGXEIY-UHFFFAOYSA-N -1 1 451.347 4.981 20 0 JJADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1F ZINC001442984154 1066249812 /nfs/dbraw/zinc/24/98/12/1066249812.db2.gz HUDGAGAITHYYTR-UHFFFAOYSA-N -1 1 453.322 4.863 20 0 JJADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccn(C)c1-c1ccccc1 ZINC001443021037 1066254924 /nfs/dbraw/zinc/25/49/24/1066254924.db2.gz IERHPSGZBVPCCD-UHFFFAOYSA-N -1 1 459.571 4.765 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3([C@H]4CCCCO4)CCC3)cc2)c1C ZINC001454267272 1066260533 /nfs/dbraw/zinc/26/05/33/1066260533.db2.gz JBCFMXDSBHKYFA-HSZRJFAPSA-N -1 1 456.608 4.573 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](CC)Cc3ccccc3)c2)cc1 ZINC001443060608 1066261737 /nfs/dbraw/zinc/26/17/37/1066261737.db2.gz BSZIRPMJFLGNFX-NRFANRHFSA-N -1 1 452.576 4.637 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)c2)cc1 ZINC001443100719 1066268092 /nfs/dbraw/zinc/26/80/92/1066268092.db2.gz IBHMIPCDCPHRFB-UHFFFAOYSA-N -1 1 454.979 4.911 20 0 JJADMM CN(C)C(=O)Sc1ccccc1NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC001443148901 1066273017 /nfs/dbraw/zinc/27/30/17/1066273017.db2.gz CVDUQVAFLPNPBI-UHFFFAOYSA-N -1 1 457.430 4.529 20 0 JJADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001443186003 1066277989 /nfs/dbraw/zinc/27/79/89/1066277989.db2.gz KLQJZMIVUQTIMX-FQEVSTJZSA-N -1 1 458.530 4.907 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccnc(-c4ccccc4)c3)cc2)cc1 ZINC001454506173 1066294344 /nfs/dbraw/zinc/29/43/44/1066294344.db2.gz OGCUSLWTIRKASX-UHFFFAOYSA-N -1 1 457.555 4.788 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccns3)cc2)c(C)c1C ZINC001454504194 1066294652 /nfs/dbraw/zinc/29/46/52/1066294652.db2.gz PZWSPJIJAITSOR-GOSISDBHSA-N -1 1 457.621 4.977 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@]3(O)CCCC(C)(C)CC3)c2)c1 ZINC001454692825 1066320521 /nfs/dbraw/zinc/32/05/21/1066320521.db2.gz YMPDSALBORQQIU-VWLOTQADSA-N -1 1 458.624 4.555 20 0 JJADMM O=C(Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1)OCC(F)(F)F ZINC001454713358 1066324879 /nfs/dbraw/zinc/32/48/79/1066324879.db2.gz HLAWBLJSSFBHKE-WBVHZDCISA-N -1 1 476.810 4.556 20 0 JJADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)cc2)c(C)c1C ZINC001454713396 1066324992 /nfs/dbraw/zinc/32/49/92/1066324992.db2.gz TVAZTGFWFBVBGA-MXBUBSDBSA-N -1 1 458.624 4.571 20 0 JJADMM CCOC(=O)Nc1ccc(OC(=O)c2cc(Br)cc(Br)c2[O-])cc1 ZINC001443582978 1066332397 /nfs/dbraw/zinc/33/23/97/1066332397.db2.gz WHQKGLYVYFGMFP-UHFFFAOYSA-N -1 1 459.090 4.705 20 0 JJADMM Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)s1 ZINC001454919275 1066341934 /nfs/dbraw/zinc/34/19/34/1066341934.db2.gz JPTCGVHWCGIFSJ-MRXNPFEDSA-N -1 1 459.493 4.931 20 0 JJADMM CNc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001454935010 1066343967 /nfs/dbraw/zinc/34/39/67/1066343967.db2.gz SNDPSLNBESCCRW-GFCCVEGCSA-N -1 1 459.390 4.560 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC001443785848 1066368367 /nfs/dbraw/zinc/36/83/67/1066368367.db2.gz CIRLIGIEAHRNQS-UHFFFAOYSA-N -1 1 454.596 4.679 20 0 JJADMM Cc1cc(COc2ccc(C(=O)NCc3ccc([O-])c(Cl)c3)cc2Br)no1 ZINC001455440129 1066390243 /nfs/dbraw/zinc/39/02/43/1066390243.db2.gz NDWYAJBCOURZJC-UHFFFAOYSA-N -1 1 451.704 4.614 20 0 JJADMM COc1ccc([C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])c2ccc(OC)cc2OC)cc1 ZINC001444081233 1066400898 /nfs/dbraw/zinc/40/08/98/1066400898.db2.gz KVKALJBDLWJYFZ-VWLOTQADSA-N -1 1 459.498 4.796 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3cnc4ccccc4c3)ccc2C)cc1 ZINC001455537868 1066407656 /nfs/dbraw/zinc/40/76/56/1066407656.db2.gz JVWXRFZSFSYOGP-UHFFFAOYSA-N -1 1 459.571 4.625 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@]3(C)CCOC4(CCC4)C3)c2)c1 ZINC001455922561 1066451564 /nfs/dbraw/zinc/45/15/64/1066451564.db2.gz UZVUWTYKCADVBL-DEOSSOPVSA-N -1 1 456.608 4.573 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4ccsc4s3)cc2)cc1 ZINC001444408168 1066459911 /nfs/dbraw/zinc/45/99/11/1066459911.db2.gz MIUGSTJHZZEPEB-UHFFFAOYSA-N -1 1 459.574 4.810 20 0 JJADMM Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001444415456 1066460621 /nfs/dbraw/zinc/46/06/21/1066460621.db2.gz WBNWFZVQCAXTNM-UHFFFAOYSA-N -1 1 458.942 4.787 20 0 JJADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1 ZINC001444512140 1066471021 /nfs/dbraw/zinc/47/10/21/1066471021.db2.gz VPAOFMRRARMLJX-KRWDZBQOSA-N -1 1 457.621 4.956 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(F)c(F)c(F)c3)c2)cc1 ZINC001444601638 1066480236 /nfs/dbraw/zinc/48/02/36/1066480236.db2.gz OXSRVCZMSXVBKS-UHFFFAOYSA-N -1 1 450.438 4.556 20 0 JJADMM Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2n1C ZINC001444813284 1066508375 /nfs/dbraw/zinc/50/83/75/1066508375.db2.gz YCNBZVOVCOTALF-UHFFFAOYSA-N -1 1 454.939 4.588 20 0 JJADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1 ZINC001444815029 1066508680 /nfs/dbraw/zinc/50/86/80/1066508680.db2.gz SXLIBUCXLYZPAM-DLBZAZTESA-N -1 1 454.564 4.512 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](C)c3ccc(F)cc3F)cc2)cc1C ZINC001444816251 1066508953 /nfs/dbraw/zinc/50/89/53/1066508953.db2.gz WMAWJFZDJDTWFO-QGZVFWFLSA-N -1 1 458.530 4.916 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ncc(C(C)(C)C)s3)c2)cc1 ZINC001444873287 1066515346 /nfs/dbraw/zinc/51/53/46/1066515346.db2.gz QESKKJUQGMBJDH-UHFFFAOYSA-N -1 1 459.593 4.892 20 0 JJADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCc3ccc4ccccc4c3)c([O-])c2)c1 ZINC001444999609 1066528367 /nfs/dbraw/zinc/52/83/67/1066528367.db2.gz OQSBAUFLPIOJBR-UHFFFAOYSA-N -1 1 456.498 4.745 20 0 JJADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C12CCCCC2 ZINC001445000499 1066529057 /nfs/dbraw/zinc/52/90/57/1066529057.db2.gz MUSXTOBGCLRFIY-PKTZIBPZSA-N -1 1 456.608 4.687 20 0 JJADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC001445271098 1066551344 /nfs/dbraw/zinc/55/13/44/1066551344.db2.gz KCNKCEWWTHBKMF-QFIPXVFZSA-N -1 1 458.562 4.529 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC4(C3)CO[C@H](C)C4)c2)cc1 ZINC001456302210 1066558533 /nfs/dbraw/zinc/55/85/33/1066558533.db2.gz KIUZGLUIXHMWOI-KJIJUEMSSA-N -1 1 456.608 4.517 20 0 JJADMM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F)c1ccc(F)cc1F ZINC001445361964 1066562687 /nfs/dbraw/zinc/56/26/87/1066562687.db2.gz UXBJTMJWYNUJFA-GFCCVEGCSA-N -1 1 452.429 4.535 20 0 JJADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584577 1066591033 /nfs/dbraw/zinc/59/10/33/1066591033.db2.gz NQCWIZWJNYRUPA-XZOQPEGZSA-N -1 1 456.608 4.524 20 0 JJADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445584567 1066591166 /nfs/dbraw/zinc/59/11/66/1066591166.db2.gz NQCWIZWJNYRUPA-DHIUTWEWSA-N -1 1 456.608 4.524 20 0 JJADMM Cc1cc(Oc2ccc(NC(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3[O-])cc2)n[nH]1 ZINC001445585010 1066591218 /nfs/dbraw/zinc/59/12/18/1066591218.db2.gz IBXZYGHZFPEKIZ-UHFFFAOYSA-N -1 1 450.373 4.579 20 0 JJADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)C12CCC2 ZINC001445586354 1066591723 /nfs/dbraw/zinc/59/17/23/1066591723.db2.gz UPOBEYSPDYSHHM-GOTSBHOMSA-N -1 1 456.608 4.524 20 0 JJADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)C12CCC2 ZINC001445586579 1066591769 /nfs/dbraw/zinc/59/17/69/1066591769.db2.gz VZTCOZMDNMDVLY-GOTSBHOMSA-N -1 1 456.608 4.524 20 0 JJADMM Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)c3ccc(Br)cc3[O-])n2c1 ZINC001456479776 1066594765 /nfs/dbraw/zinc/59/47/65/1066594765.db2.gz UMMVWRKLNAFXFV-UHFFFAOYSA-N -1 1 454.299 4.847 20 0 JJADMM Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001445642516 1066597866 /nfs/dbraw/zinc/59/78/66/1066597866.db2.gz ANPFHJXTEVFTHR-UHFFFAOYSA-N -1 1 457.452 4.845 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 ZINC001445651548 1066598632 /nfs/dbraw/zinc/59/86/32/1066598632.db2.gz ROAXFPHGSQOPPA-UHFFFAOYSA-N -1 1 450.560 4.554 20 0 JJADMM Cc1ccccc1[C@H](O)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001445675980 1066601093 /nfs/dbraw/zinc/60/10/93/1066601093.db2.gz YSSWFQYNKYOCGA-OAQYLSRUSA-N -1 1 459.329 4.723 20 0 JJADMM CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001545986485 1066708077 /nfs/dbraw/zinc/70/80/77/1066708077.db2.gz GKRAYNCUDRGNEN-FPOVZHCZSA-N -1 1 493.574 4.608 20 0 JJADMM CC(C)[C@H]1CCc2nc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)sc2C1 ZINC001456886630 1066714322 /nfs/dbraw/zinc/71/43/22/1066714322.db2.gz MLYBNQWHZSRCLQ-INIZCTEOSA-N -1 1 455.605 4.957 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cnccc3OC(C)(C)C)cc2)c1C ZINC001446530456 1066716596 /nfs/dbraw/zinc/71/65/96/1066716596.db2.gz AQKAUBJCECGAMW-UHFFFAOYSA-N -1 1 453.564 4.929 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC34CCCC4)c2)cc1 ZINC001456928638 1066724427 /nfs/dbraw/zinc/72/44/27/1066724427.db2.gz WQAFQVIPTOVARI-HSZRJFAPSA-N -1 1 456.608 4.662 20 0 JJADMM Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc1)CCC2 ZINC001446640143 1066727755 /nfs/dbraw/zinc/72/77/55/1066727755.db2.gz FSJZXFXYDJWBOL-HXUWFJFHSA-N -1 1 459.568 4.507 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1cnc2ccsc2c1 ZINC001446710004 1066732885 /nfs/dbraw/zinc/73/28/85/1066732885.db2.gz MISZFEITWALAQY-UHFFFAOYSA-N -1 1 459.936 4.708 20 0 JJADMM CC(C)(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])nc1 ZINC001446709124 1066732943 /nfs/dbraw/zinc/73/29/43/1066732943.db2.gz JEWVQOHSIWGVIR-UHFFFAOYSA-N -1 1 459.955 4.791 20 0 JJADMM Cc1cccc(C2=CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)CC2)c1 ZINC001446848575 1066748472 /nfs/dbraw/zinc/74/84/72/1066748472.db2.gz LNXYEOOIEZUPEE-UHFFFAOYSA-N -1 1 450.535 4.864 20 0 JJADMM CCc1cnccc1[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001446870499 1066749960 /nfs/dbraw/zinc/74/99/60/1066749960.db2.gz RDANNCRHAALEFT-INIZCTEOSA-N -1 1 457.983 4.898 20 0 JJADMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001446870502 1066750479 /nfs/dbraw/zinc/75/04/79/1066750479.db2.gz RDANNCRHAALEFT-MRXNPFEDSA-N -1 1 457.983 4.898 20 0 JJADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001446886829 1066753795 /nfs/dbraw/zinc/75/37/95/1066753795.db2.gz YAKBZUXWVCAVQI-KSSFIOAISA-N -1 1 451.386 4.653 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCO[C@H](C)C2)cc1 ZINC001446906030 1066755411 /nfs/dbraw/zinc/75/54/11/1066755411.db2.gz DJLUZKNLZJFCHG-MOPGFXCFSA-N -1 1 458.624 4.638 20 0 JJADMM CCC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)c1ccccc1 ZINC001457121658 1066766989 /nfs/dbraw/zinc/76/69/89/1066766989.db2.gz FGZBFFMQXJOLCE-RUZDIDTESA-N -1 1 452.576 4.941 20 0 JJADMM C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)C[C@H]1F ZINC001447030023 1066767851 /nfs/dbraw/zinc/76/78/51/1066767851.db2.gz OEEBHNOBQDMPJL-FDDCHVKYSA-N -1 1 452.551 4.975 20 0 JJADMM Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)cc(Br)c3[O-])n2)cc1 ZINC001447097488 1066772496 /nfs/dbraw/zinc/77/24/96/1066772496.db2.gz XOBXDEWSRVUXMT-UHFFFAOYSA-N -1 1 453.749 4.632 20 0 JJADMM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001457157519 1066775750 /nfs/dbraw/zinc/77/57/50/1066775750.db2.gz SGDGJFZQANKNNC-QHCPKHFHSA-N -1 1 452.551 4.564 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3C[C@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196812 1066785373 /nfs/dbraw/zinc/78/53/73/1066785373.db2.gz BVFNKWMTNOMUCT-RTWAWAEBSA-N -1 1 452.551 4.544 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3C[C@H]3Cc3ccccc3)cc2)ccc1F ZINC001457196808 1066785532 /nfs/dbraw/zinc/78/55/32/1066785532.db2.gz BVFNKWMTNOMUCT-NHCUHLMSSA-N -1 1 452.551 4.544 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3C[C@H]3Cc3ccccc3)c2)cc1F ZINC001457197926 1066786331 /nfs/dbraw/zinc/78/63/31/1066786331.db2.gz HVUDYTBORHSXOE-NHCUHLMSSA-N -1 1 452.551 4.544 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(c4ccc(F)cc4F)CCC3)c2)c1 ZINC001447287818 1066787891 /nfs/dbraw/zinc/78/78/91/1066787891.db2.gz RHTFBONENMRUKG-UHFFFAOYSA-N -1 1 456.514 4.883 20 0 JJADMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC(C)C ZINC001447380282 1066801414 /nfs/dbraw/zinc/80/14/14/1066801414.db2.gz YJQVIBURPWVSRQ-UHFFFAOYSA-N -1 1 454.548 4.844 20 0 JJADMM CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC001457287099 1066803827 /nfs/dbraw/zinc/80/38/27/1066803827.db2.gz XXTTWTJMJDYJMT-AWEZNQCLSA-N -1 1 457.372 4.674 20 0 JJADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)ccc1OC(C)C ZINC001447406109 1066805327 /nfs/dbraw/zinc/80/53/27/1066805327.db2.gz UPJNXVPCLYQICK-UHFFFAOYSA-N -1 1 454.548 4.844 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC001447455076 1066811538 /nfs/dbraw/zinc/81/15/38/1066811538.db2.gz QOYYFBUPPOSACP-MWTRTKDXSA-N -1 1 453.539 4.553 20 0 JJADMM Cc1ccccc1C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC001447501743 1066815967 /nfs/dbraw/zinc/81/59/67/1066815967.db2.gz DPJKTSKKILNFIE-UHFFFAOYSA-N -1 1 452.551 4.955 20 0 JJADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001447727867 1066848394 /nfs/dbraw/zinc/84/83/94/1066848394.db2.gz HRMOCAJDIXKQJA-UHFFFAOYSA-N -1 1 456.514 4.569 20 0 JJADMM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001457541653 1066856456 /nfs/dbraw/zinc/85/64/56/1066856456.db2.gz KBDDUXWBUQFCNL-UHFFFAOYSA-N -1 1 452.923 4.783 20 0 JJADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC[C@H](C)C3)c2)cc1 ZINC001447846900 1066869078 /nfs/dbraw/zinc/86/90/78/1066869078.db2.gz MYEHUWKCRHXIPL-INIZCTEOSA-N -1 1 450.988 4.802 20 0 JJADMM CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)[N-]c3cc(-c4ccccc4F)no3)on2)CC1 ZINC001457610477 1066878042 /nfs/dbraw/zinc/87/80/42/1066878042.db2.gz XZFWIKDPZRNBMM-UHFFFAOYSA-N -1 1 456.474 4.836 20 0 JJADMM CSc1cc(C)ccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC001457703054 1066900519 /nfs/dbraw/zinc/90/05/19/1066900519.db2.gz OTFLLPCZNBFLJE-UHFFFAOYSA-N -1 1 458.580 4.895 20 0 JJADMM CC(C)(C)OC(=O)N1Cc2sc(C(=O)Nc3ccc(F)cc3[O-])c(Br)c2C1 ZINC001457712587 1066902489 /nfs/dbraw/zinc/90/24/89/1066902489.db2.gz AYSJCZHWWCNUPC-UHFFFAOYSA-N -1 1 457.321 4.858 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CSC3(C)C)c2)cc1Cl ZINC001448183260 1066907567 /nfs/dbraw/zinc/90/75/67/1066907567.db2.gz BNFOCDJSIJZVIH-QGZVFWFLSA-N -1 1 459.420 4.726 20 0 JJADMM CC(C)N(C)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001448195590 1066909042 /nfs/dbraw/zinc/90/90/42/1066909042.db2.gz YZADNQZJDNYKCR-UHFFFAOYSA-N -1 1 459.518 4.863 20 0 JJADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3cccc(Cl)c3n2C)cc1 ZINC001457749474 1066910769 /nfs/dbraw/zinc/91/07/69/1066910769.db2.gz VUBJBRRWXLJMHZ-UHFFFAOYSA-N -1 1 454.939 4.588 20 0 JJADMM CCN(CC1CCC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001448277071 1066915666 /nfs/dbraw/zinc/91/56/66/1066915666.db2.gz FYGKTZFUAILQTO-UHFFFAOYSA-N -1 1 451.386 4.512 20 0 JJADMM CSc1ccccc1[C@@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001448298802 1066917041 /nfs/dbraw/zinc/91/70/41/1066917041.db2.gz FMCOXCFCXIQHEP-MRXNPFEDSA-N -1 1 458.580 4.768 20 0 JJADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC001457781740 1066918248 /nfs/dbraw/zinc/91/82/48/1066918248.db2.gz VQQPVKPECBTWKU-IRJFHVNHSA-N -1 1 456.514 4.750 20 0 JJADMM CC1=NN(c2ccc(C(=O)Nc3cc([O-])c(Br)cc3Br)cc2)CC1 ZINC001457786606 1066919829 /nfs/dbraw/zinc/91/98/29/1066919829.db2.gz JLLSUAIKMJVXKE-UHFFFAOYSA-N -1 1 453.134 4.756 20 0 JJADMM Cc1cc(=O)[nH]c2cc(C(=O)Nc3cc([O-])c(Br)cc3Br)ccc12 ZINC001457789537 1066921157 /nfs/dbraw/zinc/92/11/57/1066921157.db2.gz UKHFPOQFPGTIFK-UHFFFAOYSA-N -1 1 452.102 4.732 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC(c4ccccc4)C3)c2)cc1 ZINC001448411975 1066925477 /nfs/dbraw/zinc/92/54/77/1066925477.db2.gz ITTWLLWCKICQFS-UHFFFAOYSA-N -1 1 450.560 4.562 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cc2)c1C ZINC001448479662 1066931141 /nfs/dbraw/zinc/93/11/41/1066931141.db2.gz VINAELKNQMEVGZ-AQYVVDRMSA-N -1 1 452.551 4.919 20 0 JJADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC[C@@H](C)c3ccccc3)c2)cc1 ZINC001448509753 1066935243 /nfs/dbraw/zinc/93/52/43/1066935243.db2.gz QBHPVPLQXDSBJD-LJQANCHMSA-N -1 1 452.576 4.810 20 0 JJADMM CSC[C@@H]1CCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001545704813 1066966517 /nfs/dbraw/zinc/96/65/17/1066966517.db2.gz JXNFNRXYGHFLTL-HNNXBMFYSA-N -1 1 459.420 4.762 20 0 JJADMM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001448893798 1066967842 /nfs/dbraw/zinc/96/78/42/1066967842.db2.gz ORRHECFLFMVGLF-CZUORRHYSA-N -1 1 451.350 4.717 20 0 JJADMM CCCC[C@](C)(NC(=O)c1nc[n-]c(=O)c1Br)c1cccc(Br)c1 ZINC001448907329 1066968870 /nfs/dbraw/zinc/96/88/70/1066968870.db2.gz SCRCLDBLQRMJIV-KRWDZBQOSA-N -1 1 457.166 4.543 20 0 JJADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4c(F)cc(F)cc4C3)cc2)c1 ZINC001546015566 1067016044 /nfs/dbraw/zinc/01/60/44/1067016044.db2.gz DPJLGLVRQSCBBP-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4c(F)cc(F)cc4C3)ccc2C)cc1 ZINC001546015774 1067018455 /nfs/dbraw/zinc/01/84/55/1067018455.db2.gz LEGHVWSKNQKUJT-UHFFFAOYSA-N -1 1 456.514 4.581 20 0 JJADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1 ZINC001449768114 1067026810 /nfs/dbraw/zinc/02/68/10/1067026810.db2.gz MUAFASORDZPFMH-UHFFFAOYSA-N -1 1 454.514 4.918 20 0 JJADMM CC[C@H](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)OC ZINC001449908073 1067036786 /nfs/dbraw/zinc/03/67/86/1067036786.db2.gz AYIRHNSGSSSJEU-ORAYPTAESA-N -1 1 459.395 4.585 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)c2)cc1F ZINC001449912562 1067037253 /nfs/dbraw/zinc/03/72/53/1067037253.db2.gz MYKFATVAFSHDEP-OPAMFIHVSA-N -1 1 454.523 4.577 20 0 JJADMM Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc([O-])c3Br)nc12 ZINC001449934194 1067037728 /nfs/dbraw/zinc/03/77/28/1067037728.db2.gz HYPWEZBKVACKPY-UHFFFAOYSA-N -1 1 452.308 4.942 20 0 JJADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)c1 ZINC001450075086 1067047423 /nfs/dbraw/zinc/04/74/23/1067047423.db2.gz FTSJFJOSJDHATF-UHFFFAOYSA-N -1 1 455.776 4.745 20 0 JJADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001450363039 1067073562 /nfs/dbraw/zinc/07/35/62/1067073562.db2.gz VQXDPPIVZJOIQQ-QGZVFWFLSA-N -1 1 458.486 4.522 20 0 JJADMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(I)ccc1[O-] ZINC001545779938 1067075458 /nfs/dbraw/zinc/07/54/58/1067075458.db2.gz GWIAOHCWLPNNJA-CQSZACIVSA-N -1 1 450.320 4.936 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3Cc4ccccc4O[C@@H](C)C3)ccc2C)cc1 ZINC001450544951 1067088991 /nfs/dbraw/zinc/08/89/91/1067088991.db2.gz BXPSVWQDPKFZTH-IBGZPJMESA-N -1 1 450.560 4.528 20 0 JJADMM CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)[C@H](C)C(C)C ZINC001450696850 1067105269 /nfs/dbraw/zinc/10/52/69/1067105269.db2.gz DEJZWWIORGRWCK-OAHLLOKOSA-N -1 1 453.402 4.757 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)c2)cc1F ZINC001450698827 1067106055 /nfs/dbraw/zinc/10/60/55/1067106055.db2.gz ZDYDRAHFXIBXQR-KRWDZBQOSA-N -1 1 458.559 4.991 20 0 JJADMM COc1ccccc1[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1ccco1 ZINC001450708261 1067108948 /nfs/dbraw/zinc/10/89/48/1067108948.db2.gz PPZNEEYZDKVQSP-OAQYLSRUSA-N -1 1 453.292 4.824 20 0 JJADMM Cc1ccc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001450729837 1067111623 /nfs/dbraw/zinc/11/16/23/1067111623.db2.gz NNKJCHWRTIIJFN-IVZQSRNASA-N -1 1 456.951 4.701 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCO[C@@H](CCC)C3)ccc2C)cc1 ZINC001545804437 1067116057 /nfs/dbraw/zinc/11/60/57/1067116057.db2.gz OKKFLFQOQVSZRF-QHCPKHFHSA-N -1 1 458.624 4.780 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CCCc3cccnc3)ccc2C)c1 ZINC001451151651 1067150665 /nfs/dbraw/zinc/15/06/65/1067150665.db2.gz QQNGBCMHLWQIQU-FQEVSTJZSA-N -1 1 451.592 4.640 20 0 JJADMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001451424109 1067169915 /nfs/dbraw/zinc/16/99/15/1067169915.db2.gz JZIXQQACGXNFKO-WOJBJXKFSA-N -1 1 470.513 4.584 20 0 JJADMM CSc1cc(C)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC001451618736 1067180920 /nfs/dbraw/zinc/18/09/20/1067180920.db2.gz ONJFOWCUKUMJAO-UHFFFAOYSA-N -1 1 454.573 4.973 20 0 JJADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001452151312 1067209951 /nfs/dbraw/zinc/20/99/51/1067209951.db2.gz XQEGUWNMHTWEGI-KDURUIRLSA-N -1 1 450.988 4.525 20 0 JJADMM O=C(N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC001452266331 1067217251 /nfs/dbraw/zinc/21/72/51/1067217251.db2.gz LIKNMUGBPZWVDU-VWLOTQADSA-N -1 1 455.510 4.604 20 0 JJADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC001546105353 1067223280 /nfs/dbraw/zinc/22/32/80/1067223280.db2.gz FGDPMQGNRUQTOU-UHFFFAOYSA-N -1 1 458.511 4.606 20 0 JJADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105438 1067227670 /nfs/dbraw/zinc/22/76/70/1067227670.db2.gz HZFIZUCLLDAXEV-OAHLLOKOSA-N -1 1 454.976 4.626 20 0 JJADMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])[C@@H]1CCCc2ccccc21 ZINC001546105764 1067235419 /nfs/dbraw/zinc/23/54/19/1067235419.db2.gz VILYCUZTTAIUAM-HXUWFJFHSA-N -1 1 456.951 4.905 20 0 JJADMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC3=CCCOC3)ccc2C)cc1 ZINC001453000031 1067273815 /nfs/dbraw/zinc/27/38/15/1067273815.db2.gz VILDHZDFGDQEBX-UHFFFAOYSA-N -1 1 456.608 4.557 20 0 JJADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001453675787 1067321500 /nfs/dbraw/zinc/32/15/00/1067321500.db2.gz DCEKNSQEGOVCPP-WUUXGELPSA-N -1 1 452.498 4.909 20 0 JJADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOc4ccccc4[C@@H]3C)ccc2C)cc1 ZINC001453736332 1067325308 /nfs/dbraw/zinc/32/53/08/1067325308.db2.gz JSPHYUQILCXUJO-IBGZPJMESA-N -1 1 450.560 4.700 20 0 JJADMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC001460062278 1067542463 /nfs/dbraw/zinc/54/24/63/1067542463.db2.gz SNLJRCQNYPLHMA-UHFFFAOYSA-N -1 1 453.470 4.894 20 0 JJADMM O=C([N-][C@H]1CN(CCOc2ccc(Cl)c(F)c2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460395349 1067626068 /nfs/dbraw/zinc/62/60/68/1067626068.db2.gz WWKCVACQPWWKQW-LPHOPBHVSA-N -1 1 462.846 4.534 20 0 JJADMM C[C@H](CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1C(F)(F)F ZINC001461024714 1067764068 /nfs/dbraw/zinc/76/40/68/1067764068.db2.gz GQRYXRDIKRNJLS-UKRRQHHQSA-N -1 1 458.402 4.835 20 0 JJADMM CCc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@@H]3C[N-]C(=O)C(F)(F)F)cs2)cc1 ZINC001461026590 1067764810 /nfs/dbraw/zinc/76/48/10/1067764810.db2.gz NDGYDDZVNZIEDC-QGZVFWFLSA-N -1 1 459.493 4.623 20 0 JJADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC=C(c4ccccc4C)C3)cc2)ccc1F ZINC001546121897 1067787439 /nfs/dbraw/zinc/78/74/39/1067787439.db2.gz QUCRAUHYZDVAMT-UHFFFAOYSA-N -1 1 450.535 4.783 20 0 JJADMM O=C([N-][C@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461420426 1067852287 /nfs/dbraw/zinc/85/22/87/1067852287.db2.gz SVSWSUQSUQWJPH-IVOMFYJKSA-N -1 1 462.487 4.773 20 0 JJADMM O=C([N-]c1nnc(-c2cc(Cl)cc(Cl)c2)s1)c1nc(N2CCCC2)ncc1Cl ZINC001461495062 1067875918 /nfs/dbraw/zinc/87/59/18/1067875918.db2.gz LXXJGONOFFOZAQ-UHFFFAOYSA-N -1 1 455.758 4.808 20 0 JJADMM COc1ccc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)cc1OCc1cccnc1 ZINC001461509107 1067879064 /nfs/dbraw/zinc/87/90/64/1067879064.db2.gz XZSMIIOMIDZQKV-UHFFFAOYSA-N -1 1 459.468 4.768 20 0 JJADMM COC(=O)c1cc(C(C)=O)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[n-]1 ZINC001462734359 1068147570 /nfs/dbraw/zinc/14/75/70/1068147570.db2.gz UENIHKNSCKRIFN-UHFFFAOYSA-N -1 1 450.278 4.537 20 0 JJADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br)N(C)c1ccccc1 ZINC001462922829 1068215935 /nfs/dbraw/zinc/21/59/35/1068215935.db2.gz JHTJODBNKLKBKW-LLVKDONJSA-N -1 1 452.201 4.559 20 0 JJADMM CCC1CCC(C[N-]S(=O)(=O)c2c(Br)cc(F)cc2Br)CC1 ZINC001462939546 1068222672 /nfs/dbraw/zinc/22/26/72/1068222672.db2.gz WMFIGKPPMNNFNA-UHFFFAOYSA-N -1 1 457.203 4.845 20 0 JJADMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC001462952598 1068226789 /nfs/dbraw/zinc/22/67/89/1068226789.db2.gz ISYMTRCTAZIHJF-UHFFFAOYSA-N -1 1 450.757 4.506 20 0 JJADMM C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001462981994 1068238139 /nfs/dbraw/zinc/23/81/39/1068238139.db2.gz AQBKHVMYZQVAQP-MRVPVSSYSA-N -1 1 458.592 4.714 20 0 JJADMM COc1ccc(C2(C[N-]S(=O)(=O)c3cc(Cl)cnc3Cl)CCCCC2)cc1OC ZINC001463097013 1068285537 /nfs/dbraw/zinc/28/55/37/1068285537.db2.gz MKWDJXNJLVVJPE-UHFFFAOYSA-N -1 1 459.395 4.586 20 0 JJADMM Cc1csc(C2([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Br)CCCC2)n1 ZINC001463100784 1068287662 /nfs/dbraw/zinc/28/76/62/1068287662.db2.gz VOZZWACHCWCFAG-UHFFFAOYSA-N -1 1 453.786 4.754 20 0 JJADMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463183997 1068313123 /nfs/dbraw/zinc/31/31/23/1068313123.db2.gz COBGZDOUROBNAT-LLVKDONJSA-N -1 1 453.185 4.810 20 0 JJADMM Cc1nc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)oc1-c1ccc(Cl)cc1 ZINC001463280099 1068343124 /nfs/dbraw/zinc/34/31/24/1068343124.db2.gz SLGBPINWANIBIK-UHFFFAOYSA-N -1 1 451.331 4.564 20 0 JJADMM C[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463284352 1068344038 /nfs/dbraw/zinc/34/40/38/1068344038.db2.gz VTFDXLSQJGVYNR-VIFPVBQESA-N -1 1 455.348 4.693 20 0 JJADMM C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463284336 1068344163 /nfs/dbraw/zinc/34/41/63/1068344163.db2.gz VTFDXLSQJGVYNR-SECBINFHSA-N -1 1 455.348 4.693 20 0 JJADMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)sc(C)c1Br)c1ccco1 ZINC001463301823 1068350081 /nfs/dbraw/zinc/35/00/81/1068350081.db2.gz KIUBHEMXRCIWTE-QGZVFWFLSA-N -1 1 456.383 4.797 20 0 JJADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC001463385770 1068380349 /nfs/dbraw/zinc/38/03/49/1068380349.db2.gz CTWYCPDEXGOICY-GOSISDBHSA-N -1 1 455.479 4.644 20 0 JJADMM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001463540327 1068434560 /nfs/dbraw/zinc/43/45/60/1068434560.db2.gz PFMXAXRPODFZLH-UHFFFAOYSA-N -1 1 454.283 4.863 20 0 JJADMM COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC001463544209 1068435899 /nfs/dbraw/zinc/43/58/99/1068435899.db2.gz VJPYGFHEYAHBKU-UHFFFAOYSA-N -1 1 458.967 4.730 20 0 JJADMM CCn1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1C1CC1 ZINC001463564751 1068445809 /nfs/dbraw/zinc/44/58/09/1068445809.db2.gz OHTZMLJAYHHJQJ-UHFFFAOYSA-N -1 1 458.971 4.795 20 0 JJADMM Cc1ccc(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463564012 1068445892 /nfs/dbraw/zinc/44/58/92/1068445892.db2.gz KKGYUYXNJZAQGX-UHFFFAOYSA-N -1 1 457.939 4.680 20 0 JJADMM CCn1cc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)n1 ZINC001463564880 1068446535 /nfs/dbraw/zinc/44/65/35/1068446535.db2.gz PAZWPHVCEDZUDW-UHFFFAOYSA-N -1 1 453.351 4.571 20 0 JJADMM CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OC ZINC001463584517 1068456814 /nfs/dbraw/zinc/45/68/14/1068456814.db2.gz YHBDPHDTPZPNIZ-ZDUSSCGKSA-N -1 1 455.374 4.633 20 0 JJADMM O=S(=O)([N-][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cnc(Cl)cc1C(F)(F)F ZINC001463603723 1068462557 /nfs/dbraw/zinc/46/25/57/1068462557.db2.gz FHMBYLDKQBLGQH-UMSPYCQHSA-N -1 1 458.811 4.997 20 0 JJADMM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C2 ZINC001463628943 1068475068 /nfs/dbraw/zinc/47/50/68/1068475068.db2.gz YJQQKTVNESSDCK-JOCHJYFZSA-N -1 1 456.951 4.700 20 0 JJADMM CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)cc1 ZINC001463652619 1068481486 /nfs/dbraw/zinc/48/14/86/1068481486.db2.gz GDVIVBDYQSYMRD-UHFFFAOYSA-N -1 1 458.923 4.570 20 0 JJADMM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1)CO2 ZINC001463653124 1068482322 /nfs/dbraw/zinc/48/23/22/1068482322.db2.gz KELBBZCBOFLTAN-NRFANRHFSA-N -1 1 456.951 4.872 20 0 JJADMM CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)cc1 ZINC001463655778 1068483864 /nfs/dbraw/zinc/48/38/64/1068483864.db2.gz XJCDCQIGTGYHTM-UHFFFAOYSA-N -1 1 452.532 4.533 20 0 JJADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC001463656361 1068484300 /nfs/dbraw/zinc/48/43/00/1068484300.db2.gz PETWPAFIOUYUGX-LLVKDONJSA-N -1 1 459.467 4.853 20 0 JJADMM CCc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)sc1C ZINC001463753569 1068513738 /nfs/dbraw/zinc/51/37/38/1068513738.db2.gz LTXJXWCKZIIOHH-UHFFFAOYSA-N -1 1 453.948 4.860 20 0 JJADMM Cc1cc(CC(C)(C)[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)ccc1Br ZINC001463799559 1068529208 /nfs/dbraw/zinc/52/92/08/1068529208.db2.gz GLDBABLDCJDJHB-UHFFFAOYSA-N -1 1 452.201 4.759 20 0 JJADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c3ccccc32)c1F ZINC001463805417 1068531290 /nfs/dbraw/zinc/53/12/90/1068531290.db2.gz DXJGCPFUTAUCKH-NSHDSACASA-N -1 1 456.308 4.929 20 0 JJADMM COC/C(C)=C/C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001463848601 1068547173 /nfs/dbraw/zinc/54/71/73/1068547173.db2.gz SBZYFZTUPNWSLU-JLHYYAGUSA-N -1 1 456.536 4.642 20 0 JJADMM COc1ccc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cc1[N-]S(C)(=O)=O ZINC001463988175 1068582061 /nfs/dbraw/zinc/58/20/61/1068582061.db2.gz IFLBOEHLYXINBB-UHFFFAOYSA-N -1 1 454.335 4.621 20 0 JJADMM O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC001463993300 1068583121 /nfs/dbraw/zinc/58/31/21/1068583121.db2.gz FDLJPBXZXGPTBV-UHFFFAOYSA-N -1 1 458.436 4.739 20 0 JJADMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2oc3ccccc3c2Br)c2cc(F)ccc2O1 ZINC001464013546 1068588883 /nfs/dbraw/zinc/58/88/83/1068588883.db2.gz HHWMOEPPYOEPJD-CQSZACIVSA-N -1 1 454.317 4.915 20 0 JJADMM Cc1cc(Br)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1Br ZINC001464080245 1068608420 /nfs/dbraw/zinc/60/84/20/1068608420.db2.gz XOMXFFJZTXPRJE-UHFFFAOYSA-N -1 1 451.118 4.868 20 0 JJADMM Cc1ccc(NC(=O)Cc2cc(Cl)cc3c2OCC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001464157581 1068636861 /nfs/dbraw/zinc/63/68/61/1068636861.db2.gz GFZLEBSODHKHIH-UHFFFAOYSA-N -1 1 456.951 4.565 20 0 JJADMM Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001464171490 1068642156 /nfs/dbraw/zinc/64/21/56/1068642156.db2.gz AEQQECQNFPIXFX-UHFFFAOYSA-N -1 1 452.551 4.955 20 0 JJADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCOc3cccc(Cl)c3)cc2)c1C ZINC001464209137 1068658765 /nfs/dbraw/zinc/65/87/65/1068658765.db2.gz FJLZBQIXKRLEKM-UHFFFAOYSA-N -1 1 458.967 4.566 20 0 JJADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])cc2F)C[C@H](C)O1 ZINC001464243386 1068673427 /nfs/dbraw/zinc/67/34/27/1068673427.db2.gz WWNXSBASUHGVIT-GJZGRUSLSA-N -1 1 459.518 4.744 20 0 JJADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1cc2c(s1)CCCC2 ZINC001464281412 1068690086 /nfs/dbraw/zinc/69/00/86/1068690086.db2.gz IJCDFZFIVIAHIE-UHFFFAOYSA-N -1 1 458.580 4.805 20 0 JJADMM Cc1ccc(C(=O)NCCOC2CCCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001464420941 1068739816 /nfs/dbraw/zinc/73/98/16/1068739816.db2.gz VPYAMOMRPWTYBD-UHFFFAOYSA-N -1 1 450.988 4.528 20 0 JJADMM COc1ccc(CC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC001464567974 1068784714 /nfs/dbraw/zinc/78/47/14/1068784714.db2.gz ULDSGGXOUSNQJR-IBGZPJMESA-N -1 1 452.576 4.556 20 0 JJADMM O=S(=O)([N-]C1CN(c2ccc(C(F)(F)F)cc2)C1)c1c(Cl)cccc1C(F)(F)F ZINC001464572406 1068786746 /nfs/dbraw/zinc/78/67/46/1068786746.db2.gz IYTQFYQGMIHTBZ-UHFFFAOYSA-N -1 1 458.811 4.545 20 0 JJADMM CC(C)(NC(=O)c1cc(I)ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC001464609937 1068798059 /nfs/dbraw/zinc/79/80/59/1068798059.db2.gz OTZUPPZSCQOENT-UHFFFAOYSA-N -1 1 450.103 4.969 20 0 JJADMM O=S(=O)([N-]CCc1cc(F)cc(OCc2ccccc2)c1)c1cnc(Cl)cc1Cl ZINC001464654729 1068813358 /nfs/dbraw/zinc/81/33/58/1068813358.db2.gz QQSSFKXNZLAFAJ-UHFFFAOYSA-N -1 1 455.338 4.628 20 0 JJADMM C[C@H](CSCc1ccccc1)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001464721830 1068838390 /nfs/dbraw/zinc/83/83/90/1068838390.db2.gz MUHBBWHBYXFUQY-LJQANCHMSA-N -1 1 454.617 4.673 20 0 JJADMM