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(Cn1ccc2ccccc21)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737987358 945172461 /nfs/dbraw/zinc/17/24/61/945172461.db2.gz XCHWQACZDWNNEE-UHFFFAOYSA-N -2 3 362.353 0.678 20 50 FCGDHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NN=c2cccn[n-]2)C1=O ZINC001611344486 971000608 /nfs/dbraw/zinc/00/06/08/971000608.db2.gz JKCMZJYHZPSJHE-TZMCWYRMSA-N -2 3 370.369 0.530 20 50 FCGDHL CC(C)CCn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC000735817820 944703309 /nfs/dbraw/zinc/70/33/09/944703309.db2.gz FDCARWVTAWCNIJ-UHFFFAOYSA-N -2 3 369.389 0.579 20 50 FCGDHL CC(C)CCn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC000735817820 944703318 /nfs/dbraw/zinc/70/33/18/944703318.db2.gz FDCARWVTAWCNIJ-UHFFFAOYSA-N -2 3 369.389 0.579 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)C1CCCC1 ZINC000737223703 945013803 /nfs/dbraw/zinc/01/38/03/945013803.db2.gz BZOLCLUHIUHMPW-UHFFFAOYSA-N -2 3 350.404 0.675 20 50 FCGDHL O=C(COCc1ccccc1)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823032488 946282887 /nfs/dbraw/zinc/28/28/87/946282887.db2.gz WCTASEYABSCSMI-UHFFFAOYSA-N -2 3 358.383 0.906 20 50 FCGDHL O=C(COc1ccccc1F)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823054906 946298424 /nfs/dbraw/zinc/29/84/24/946298424.db2.gz HCONQQKRAOAIBN-UHFFFAOYSA-N -2 3 362.346 0.907 20 50 FCGDHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1cccc(F)n1 ZINC000824737855 946921917 /nfs/dbraw/zinc/92/19/17/946921917.db2.gz KMQOGIWQENUJFM-VIFPVBQESA-N -2 3 371.332 0.629 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CC(C(=O)[O-])=NO2)o1 ZINC001589726119 950464862 /nfs/dbraw/zinc/46/48/62/950464862.db2.gz PFCPXSURUITNRJ-GFCCVEGCSA-N -2 3 352.347 0.112 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)N[N-]C(=O)c2cnc(C(=O)[O-])cn2)o1 ZINC001589726333 950466442 /nfs/dbraw/zinc/46/64/42/950466442.db2.gz SSSKSJJRAAOQOE-UHFFFAOYSA-N -2 3 361.358 0.684 20 50 FCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000821125357 955492227 /nfs/dbraw/zinc/49/22/27/955492227.db2.gz ISXCPSJKEIZWGD-AWEZNQCLSA-N -2 3 367.365 0.871 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)ccc1Cl ZINC000729664564 978294782 /nfs/dbraw/zinc/29/47/82/978294782.db2.gz OFBWITZKLGDRMU-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000737770671 978444609 /nfs/dbraw/zinc/44/46/09/978444609.db2.gz CTPJGKKRFPUWQL-UHFFFAOYSA-N -3 3 351.178 0.867 20 50 FCGDHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC000739349955 978631847 /nfs/dbraw/zinc/63/18/47/978631847.db2.gz QZEVORMIWGFRPW-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCCS2)cc1 ZINC000818053005 978907914 /nfs/dbraw/zinc/90/79/14/978907914.db2.gz NCKXRWXJIVQHLX-NSHDSACASA-N -3 3 360.413 0.355 20 50 FCGDHL C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000842585557 979319993 /nfs/dbraw/zinc/31/99/93/979319993.db2.gz CKOLETMWPMVKKR-CBAPKCEASA-N -3 3 362.791 0.773 20 50 FCGDHL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC001590246858 989637164 /nfs/dbraw/zinc/63/71/64/989637164.db2.gz QMMTUWCICQEYBG-NSHDSACASA-N -2 3 369.349 0.955 20 50 FCGDHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000831939405 601150071 /nfs/dbraw/zinc/15/00/71/601150071.db2.gz MIGNMUSQSNCAIF-UHFFFAOYSA-N -3 3 357.369 0.473 20 50 FCGDHL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1 ZINC000833422342 605598597 /nfs/dbraw/zinc/59/85/97/605598597.db2.gz YGIGWSGQZKNERO-UHFFFAOYSA-N -3 3 357.388 0.493 20 50 FCGDHL O=C(CSc1ccccc1O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826420969 608120883 /nfs/dbraw/zinc/12/08/83/608120883.db2.gz LLFOUEUBFJMNAH-UHFFFAOYSA-N -2 3 371.382 0.521 20 50 FCGDHL Cc1ccn2ncc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000737437315 945066716 /nfs/dbraw/zinc/06/67/16/945066716.db2.gz UHQNTSROEJGKEZ-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL Cc1ccn2ncc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000737437315 945066725 /nfs/dbraw/zinc/06/67/25/945066725.db2.gz UHQNTSROEJGKEZ-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL Cc1noc(C)c1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737534784 945092116 /nfs/dbraw/zinc/09/21/16/945092116.db2.gz MKQXDGACEBGAMU-UHFFFAOYSA-N -2 3 363.359 0.095 20 50 FCGDHL Cc1noc(C)c1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737534784 945092124 /nfs/dbraw/zinc/09/21/24/945092124.db2.gz MKQXDGACEBGAMU-UHFFFAOYSA-N -2 3 363.359 0.095 20 50 FCGDHL N#Cc1cccc(C(=O)N[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737723234 945116862 /nfs/dbraw/zinc/11/68/62/945116862.db2.gz SMACPVSKFHAFOP-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000738136798 945237918 /nfs/dbraw/zinc/23/79/18/945237918.db2.gz MTJZKQMRWRWENT-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000738136798 945237924 /nfs/dbraw/zinc/23/79/24/945237924.db2.gz MTJZKQMRWRWENT-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C(NN=c1[n-]c(-c2ccncc2)no1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738137916 945248785 /nfs/dbraw/zinc/24/87/85/945248785.db2.gz VDSGHEBPXRDNQM-UHFFFAOYSA-N -2 3 350.302 0.464 20 50 FCGDHL O=C(NN=c1[n-]c(-c2ccncc2)no1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738137916 945248792 /nfs/dbraw/zinc/24/87/92/945248792.db2.gz VDSGHEBPXRDNQM-UHFFFAOYSA-N -2 3 350.302 0.464 20 50 FCGDHL CC(=O)Nc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000735489194 944667250 /nfs/dbraw/zinc/66/72/50/944667250.db2.gz XERRREFAJSNSKW-UHFFFAOYSA-N -2 3 372.370 0.356 20 50 FCGDHL CC(=O)Nc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000735489194 944667255 /nfs/dbraw/zinc/66/72/55/944667255.db2.gz XERRREFAJSNSKW-UHFFFAOYSA-N -2 3 372.370 0.356 20 50 FCGDHL COC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736952356 944917717 /nfs/dbraw/zinc/91/77/17/944917717.db2.gz YCFNDWQWRQRXHQ-UHFFFAOYSA-N -2 3 372.366 0.790 20 50 FCGDHL COC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000736952356 944917725 /nfs/dbraw/zinc/91/77/25/944917725.db2.gz YCFNDWQWRQRXHQ-UHFFFAOYSA-N -2 3 372.366 0.790 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)NC1CCCC1 ZINC000737225347 945014825 /nfs/dbraw/zinc/01/48/25/945014825.db2.gz MQNYVHCDXYHNKV-UHFFFAOYSA-N -2 3 365.419 0.610 20 50 FCGDHL Cc1ccc(NCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000737361522 945045875 /nfs/dbraw/zinc/04/58/75/945045875.db2.gz IOTFLLIVLHYCTR-UHFFFAOYSA-N -2 3 366.385 0.752 20 50 FCGDHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[N-]C(=O)c1ccc(C)o1 ZINC000821701454 945834443 /nfs/dbraw/zinc/83/44/43/945834443.db2.gz OXICZFWYAJJQMB-UHFFFAOYSA-N -2 3 372.341 0.617 20 50 FCGDHL COc1cccc(NCC(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821871513 945890797 /nfs/dbraw/zinc/89/07/97/945890797.db2.gz ADYWXWIHDQNYEO-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL Cc1nc(C)c(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822428102 946090299 /nfs/dbraw/zinc/09/02/99/946090299.db2.gz ZLEZTRSTMMABPB-UHFFFAOYSA-N -2 3 357.330 0.312 20 50 FCGDHL Cc1ncsc1C(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822481644 946099654 /nfs/dbraw/zinc/09/96/54/946099654.db2.gz AGFVFHISKFSHPE-UHFFFAOYSA-N -2 3 365.325 0.985 20 50 FCGDHL Cc1nnc(NNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)[n-]c1=O ZINC000822514020 946109167 /nfs/dbraw/zinc/10/91/67/946109167.db2.gz AMRZQVVXULJFMS-UHFFFAOYSA-N -2 3 371.361 0.366 20 50 FCGDHL O=C(Cc1cn2ccccc2n1)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823118785 946320275 /nfs/dbraw/zinc/32/02/75/946320275.db2.gz QVLIOTQYFZJOQA-UHFFFAOYSA-N -2 3 368.382 0.580 20 50 FCGDHL O=C([N-]NC(=O)[C@H]1Cc2ccccc2O1)c1cc(-c2nn[n-]n2)cs1 ZINC000823273489 946382476 /nfs/dbraw/zinc/38/24/76/946382476.db2.gz PDUFTGPPEYQIMS-LLVKDONJSA-N -2 3 356.367 0.693 20 50 FCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826348597 948078095 /nfs/dbraw/zinc/07/80/95/948078095.db2.gz UXAPQMMCRSMMQD-UHFFFAOYSA-N -2 3 367.325 0.913 20 50 FCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826348597 948078102 /nfs/dbraw/zinc/07/81/02/948078102.db2.gz UXAPQMMCRSMMQD-UHFFFAOYSA-N -2 3 367.325 0.913 20 50 FCGDHL CC(C)c1nnc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001574432778 948939075 /nfs/dbraw/zinc/93/90/75/948939075.db2.gz DHGJPVZNZGPDCS-UHFFFAOYSA-N -2 3 358.387 0.916 20 50 FCGDHL CC(C)c1nnc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001574432778 948939085 /nfs/dbraw/zinc/93/90/85/948939085.db2.gz DHGJPVZNZGPDCS-UHFFFAOYSA-N -2 3 358.387 0.916 20 50 FCGDHL O=C([O-])CN1CCCC[C@@H](NC(=O)NN=c2ccc(Cl)n[n-]2)C1=O ZINC001595093178 951797909 /nfs/dbraw/zinc/79/79/09/951797909.db2.gz GSPTYPNCFMHMGY-MRVPVSSYSA-N -2 3 356.770 0.222 20 50 FCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000740206368 955257591 /nfs/dbraw/zinc/25/75/91/955257591.db2.gz BVUOIWPBBKNQFB-CYBMUJFWSA-N -2 3 356.342 0.199 20 50 FCGDHL N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605576616 973849640 /nfs/dbraw/zinc/84/96/40/973849640.db2.gz PMZYHIBYCJRKRE-YLBKJLTLSA-N -2 3 350.352 0.009 20 50 FCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000736846026 978360151 /nfs/dbraw/zinc/36/01/51/978360151.db2.gz AVNNYLDPOPPJHL-UHFFFAOYSA-N -3 3 351.178 0.867 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccccc2O)o1 ZINC000739259294 978625441 /nfs/dbraw/zinc/62/54/41/978625441.db2.gz NRHMQUGJCMHUOC-UHFFFAOYSA-N -3 3 354.340 0.626 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCO[C@H]1C ZINC000842591980 979320575 /nfs/dbraw/zinc/32/05/75/979320575.db2.gz HQGYQKWEKIKGOU-WCBMZHEXSA-N -3 3 358.372 0.128 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCCS2)c(CC(=O)[O-])c1 ZINC001599617149 994030483 /nfs/dbraw/zinc/03/04/83/994030483.db2.gz LAGOXHMQPNSHHU-LLVKDONJSA-N -3 3 374.440 0.527 20 50 FCGDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c1 ZINC001599280570 996891389 /nfs/dbraw/zinc/89/13/89/996891389.db2.gz DCMHRJYKSMLLOL-UHFFFAOYSA-N -3 3 365.367 0.550 20 50 FCGDHL O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000826447712 607352068 /nfs/dbraw/zinc/35/20/68/607352068.db2.gz SQGTVTVKVLMBRQ-UHFFFAOYSA-N -2 3 365.313 0.373 20 50 FCGDHL O=C([O-])c1ccsc1N1CC[C@H](NC(=O)NN=c2cccn[n-]2)C1=O ZINC000833148978 601153456 /nfs/dbraw/zinc/15/34/56/601153456.db2.gz VOWFKXRGUPHNQH-VIFPVBQESA-N -2 3 362.371 0.668 20 50 FCGDHL O=C([O-])N1CC(NC(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC000831742583 604606222 /nfs/dbraw/zinc/60/62/22/604606222.db2.gz KWHGMMRUKUAQQU-UHFFFAOYSA-N -2 3 357.164 0.755 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c(OC)c1C(=O)[O-] ZINC000833734352 604861184 /nfs/dbraw/zinc/86/11/84/604861184.db2.gz YVVOHLQJGMIQKO-UHFFFAOYSA-N -3 3 372.399 0.902 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)[n-]c1C ZINC000825565781 609396834 /nfs/dbraw/zinc/39/68/34/609396834.db2.gz YKADYCGHRKCMRL-UHFFFAOYSA-N -2 3 368.357 0.899 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)[n-]c1C ZINC000825565781 609396836 /nfs/dbraw/zinc/39/68/36/609396836.db2.gz YKADYCGHRKCMRL-UHFFFAOYSA-N -2 3 368.357 0.899 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)N(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260074 609545836 /nfs/dbraw/zinc/54/58/36/609545836.db2.gz UTWYFRLSXVDWNS-UHFFFAOYSA-N -2 3 355.362 0.277 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)N(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260074 609545838 /nfs/dbraw/zinc/54/58/38/609545838.db2.gz UTWYFRLSXVDWNS-UHFFFAOYSA-N -2 3 355.362 0.277 20 50 FCGDHL O=C([N-]NC(=O)c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738134618 945221597 /nfs/dbraw/zinc/22/15/97/945221597.db2.gz PKMXWACJDYZKBD-UHFFFAOYSA-N -2 3 360.337 0.885 20 50 FCGDHL CN(C)C(=O)N[N-]C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736752379 944884563 /nfs/dbraw/zinc/88/45/63/944884563.db2.gz WOXLWDHRGYFPDL-UHFFFAOYSA-N -2 3 371.357 0.955 20 50 FCGDHL CN(C)C(=O)N[N-]C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736752379 944884574 /nfs/dbraw/zinc/88/45/74/944884574.db2.gz WOXLWDHRGYFPDL-UHFFFAOYSA-N -2 3 371.357 0.955 20 50 FCGDHL COc1cccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1O ZINC000737120586 944963392 /nfs/dbraw/zinc/96/33/92/944963392.db2.gz GAJHMNGAVYTOTC-UHFFFAOYSA-N -2 3 355.314 0.051 20 50 FCGDHL Cc1ccc(C)c(OCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737325797 945038709 /nfs/dbraw/zinc/03/87/09/945038709.db2.gz ITOVTBNMIMFNPG-UHFFFAOYSA-N -2 3 367.369 0.719 20 50 FCGDHL CCNc1nc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821309038 945667631 /nfs/dbraw/zinc/66/76/31/945667631.db2.gz JPAJJRXCWMXQAL-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL CCNc1nc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821309038 945667634 /nfs/dbraw/zinc/66/76/34/945667634.db2.gz JPAJJRXCWMXQAL-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000826272570 947791649 /nfs/dbraw/zinc/79/16/49/947791649.db2.gz QEHZJRKUSIRTQE-UHFFFAOYSA-N -2 3 362.371 0.700 20 50 FCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000826272570 947791655 /nfs/dbraw/zinc/79/16/55/947791655.db2.gz QEHZJRKUSIRTQE-UHFFFAOYSA-N -2 3 362.371 0.700 20 50 FCGDHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NNC(=O)c1ccccc1[O-])O2 ZINC001594751028 953432670 /nfs/dbraw/zinc/43/26/70/953432670.db2.gz YKKVYEIKPHJAPT-VVHFOWEKSA-N -2 3 363.370 0.749 20 50 FCGDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1 ZINC000291988519 962906638 /nfs/dbraw/zinc/90/66/38/962906638.db2.gz WDJDXLZYFARTBX-UHFFFAOYSA-N -3 3 361.351 0.067 20 50 FCGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)c1C ZINC000299335001 962935276 /nfs/dbraw/zinc/93/52/76/962935276.db2.gz BDTRCLZELHGFCX-UHFFFAOYSA-N -3 3 357.388 0.237 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737917797 978457748 /nfs/dbraw/zinc/45/77/48/978457748.db2.gz OVMYWKDOOTWSPM-YUMQZZPRSA-N -2 3 357.160 0.939 20 50 FCGDHL Cc1oc(C)c(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1C(=O)[O-] ZINC000738965949 978610977 /nfs/dbraw/zinc/61/09/77/978610977.db2.gz MWQSESFKKSUABD-UHFFFAOYSA-N -3 3 353.356 0.542 20 50 FCGDHL O=C([O-])N1CCC[C@@H](NC(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000739455373 978641419 /nfs/dbraw/zinc/64/14/19/978641419.db2.gz ZSPGOOKYNCRAJE-CYBMUJFWSA-N -2 3 372.385 0.959 20 50 FCGDHL O=C([O-])CSCCNC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000739863025 978657324 /nfs/dbraw/zinc/65/73/24/978657324.db2.gz SPUMWFNRQSLFPP-UHFFFAOYSA-N -2 3 363.399 0.634 20 50 FCGDHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)cc1 ZINC000739886405 978658290 /nfs/dbraw/zinc/65/82/90/978658290.db2.gz LBZANWFJZUQQNK-UHFFFAOYSA-N -3 3 353.356 0.599 20 50 FCGDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000793348943 978802837 /nfs/dbraw/zinc/80/28/37/978802837.db2.gz HQHMHJKMMJARQO-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCO[C@@H]2C)cc1C(=O)[O-] ZINC000842592103 979321585 /nfs/dbraw/zinc/32/15/85/979321585.db2.gz IRSGNALZVQZQQE-RKDXNWHRSA-N -3 3 360.363 0.567 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCO[C@@H]2C)cc1C(=O)[O-] ZINC000842593505 979322596 /nfs/dbraw/zinc/32/25/96/979322596.db2.gz VPAOCKXMIUFGAQ-SCZZXKLOSA-N -3 3 358.372 0.128 20 50 FCGDHL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NN=c2nc(C)cc(C)[n-]2)c1 ZINC001599490377 996927464 /nfs/dbraw/zinc/92/74/64/996927464.db2.gz UXGUREHFTBPGJX-UHFFFAOYSA-N -2 3 359.342 0.882 20 50 FCGDHL CO[C@@H]1CCC[C@@H]([C@@H](NCC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108178 997517691 /nfs/dbraw/zinc/51/76/91/997517691.db2.gz AYSGIFZVQVFALC-JTNHKYCSSA-N -2 3 369.443 0.757 20 50 FCGDHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833502679 605151204 /nfs/dbraw/zinc/15/12/04/605151204.db2.gz HDUPSCQUYBEBBB-UHFFFAOYSA-N -3 3 352.372 0.834 20 50 FCGDHL Cc1c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)sc2nccn12 ZINC000826234553 608123078 /nfs/dbraw/zinc/12/30/78/608123078.db2.gz CIRXNBRNRGPXFR-UHFFFAOYSA-N -2 3 368.382 0.959 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nnn[n-]3)nc2)[n-]c1C ZINC000825565483 609397008 /nfs/dbraw/zinc/39/70/08/609397008.db2.gz SKSOPFSSANXKGT-UHFFFAOYSA-N -2 3 369.345 0.294 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nn[n-]n3)nc2)[n-]c1C ZINC000825565483 609397010 /nfs/dbraw/zinc/39/70/10/609397010.db2.gz SKSOPFSSANXKGT-UHFFFAOYSA-N -2 3 369.345 0.294 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[n-]c1C ZINC000825565675 609397242 /nfs/dbraw/zinc/39/72/42/609397242.db2.gz XGQPRTMJIIQFFW-UHFFFAOYSA-N -2 3 368.357 0.899 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[n-]c1C ZINC000825565675 609397244 /nfs/dbraw/zinc/39/72/44/609397244.db2.gz XGQPRTMJIIQFFW-UHFFFAOYSA-N -2 3 368.357 0.899 20 50 FCGDHL Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737489220 945080959 /nfs/dbraw/zinc/08/09/59/945080959.db2.gz FNPFPWMYYSPOQE-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL N#Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737730634 945118386 /nfs/dbraw/zinc/11/83/86/945118386.db2.gz OLUJIXXFMGHUCI-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL N#Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737730634 945118390 /nfs/dbraw/zinc/11/83/90/945118390.db2.gz OLUJIXXFMGHUCI-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134866 945225575 /nfs/dbraw/zinc/22/55/75/945225575.db2.gz WOMLDBBXGGGLRQ-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134866 945225583 /nfs/dbraw/zinc/22/55/83/945225583.db2.gz WOMLDBBXGGGLRQ-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1C ZINC000820187467 945368060 /nfs/dbraw/zinc/36/80/60/945368060.db2.gz CFPIZTFZFOVDMC-UHFFFAOYSA-N -2 3 354.374 0.798 20 50 FCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000820187467 945368073 /nfs/dbraw/zinc/36/80/73/945368073.db2.gz CFPIZTFZFOVDMC-UHFFFAOYSA-N -2 3 354.374 0.798 20 50 FCGDHL COc1cccc(NCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737141802 944967837 /nfs/dbraw/zinc/96/78/37/944967837.db2.gz ZCFARFBLHRWKHH-UHFFFAOYSA-N -2 3 368.357 0.143 20 50 FCGDHL Cc1cccc(OCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737402289 945058616 /nfs/dbraw/zinc/05/86/16/945058616.db2.gz USDCRRJMVWNRHW-UHFFFAOYSA-N -2 3 353.342 0.410 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC000729664269 978295029 /nfs/dbraw/zinc/29/50/29/978295029.db2.gz GWZWLGNPUQEPIB-UHFFFAOYSA-N -3 3 365.367 0.341 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)ccc1F ZINC000729664234 978295336 /nfs/dbraw/zinc/29/53/36/978295336.db2.gz FOYGHXPTCPUGLN-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)c1 ZINC000737684113 978429892 /nfs/dbraw/zinc/42/98/92/978429892.db2.gz URYROJPODOSFBX-UHFFFAOYSA-N -3 3 372.399 0.917 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)CN(C)C(=O)[O-])c1 ZINC000737917732 978457555 /nfs/dbraw/zinc/45/75/55/978457555.db2.gz MSWIJSZGQYODSZ-UHFFFAOYSA-N -2 3 360.164 0.829 20 50 FCGDHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)ccc1C(=O)[O-] ZINC000738480000 978545255 /nfs/dbraw/zinc/54/52/55/978545255.db2.gz YORJACSXWBKTAP-UHFFFAOYSA-N -3 3 353.356 0.979 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)cc1F ZINC000768499870 978738524 /nfs/dbraw/zinc/73/85/24/978738524.db2.gz NOQGIZTVJZLLAK-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCO[C@@H]1C ZINC000842591978 979321296 /nfs/dbraw/zinc/32/12/96/979321296.db2.gz HQGYQKWEKIKGOU-SCZZXKLOSA-N -3 3 358.372 0.128 20 50 FCGDHL CC(C)(C)C(=O)NCCCC(=O)N[N-]C(=O)c1cccc(C(=O)[O-])n1 ZINC001589693010 987763320 /nfs/dbraw/zinc/76/33/20/987763320.db2.gz XDZUKJNNJPSVOL-UHFFFAOYSA-N -2 3 350.375 0.483 20 50 FCGDHL CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N=c2ccc(C(=O)[O-])c[nH]2)n1 ZINC001599768809 992217087 /nfs/dbraw/zinc/21/70/87/992217087.db2.gz BLVIATYGESZSOT-UHFFFAOYSA-N -2 3 370.774 0.989 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001599227388 997783442 /nfs/dbraw/zinc/78/34/42/997783442.db2.gz VIOANDNUMJYXLO-UHFFFAOYSA-N -3 3 351.406 0.284 20 50 FCGDHL CC(C)(C(=O)[N-][N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1 ZINC000826081187 600682812 /nfs/dbraw/zinc/68/28/12/600682812.db2.gz MVCQWWPIYQJPCM-UHFFFAOYSA-N -3 3 366.399 0.255 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)C(C)(C)C)c(OC)c1C(=O)[O-] ZINC000833734284 604861137 /nfs/dbraw/zinc/86/11/37/604861137.db2.gz SZISVBVVEAIOBJ-UHFFFAOYSA-N -3 3 360.388 0.758 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)c(OC)c1C(=O)[O-] ZINC000833734372 604861293 /nfs/dbraw/zinc/86/12/93/604861293.db2.gz ZWKOSEDJLRFBIU-UHFFFAOYSA-N -3 3 361.376 0.303 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833439571 605289541 /nfs/dbraw/zinc/28/95/41/605289541.db2.gz VDRQVXCATRRLDJ-UHFFFAOYSA-N -3 3 373.387 0.219 20 50 FCGDHL Cc1c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)sc2nccn12 ZINC000826233954 608120817 /nfs/dbraw/zinc/12/08/17/608120817.db2.gz BFPPPTVTQHDRNA-UHFFFAOYSA-N -2 3 368.382 0.959 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nnn[n-]3)cn2)[n-]c1C ZINC000825565558 609397048 /nfs/dbraw/zinc/39/70/48/609397048.db2.gz VKGCUWJKLDGHQN-UHFFFAOYSA-N -2 3 369.345 0.294 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nn[n-]n3)cn2)[n-]c1C ZINC000825565558 609397050 /nfs/dbraw/zinc/39/70/50/609397050.db2.gz VKGCUWJKLDGHQN-UHFFFAOYSA-N -2 3 369.345 0.294 20 50 FCGDHL Cn1cc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccccc21 ZINC000737601316 945099814 /nfs/dbraw/zinc/09/98/14/945099814.db2.gz CGZSSGPZNGLJPN-UHFFFAOYSA-N -2 3 362.353 0.828 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnc2ccccc2n1 ZINC000738134481 945221403 /nfs/dbraw/zinc/22/14/03/945221403.db2.gz OKJBMVVIJMVHBK-UHFFFAOYSA-N -2 3 360.337 0.885 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnc2ccccc2n1 ZINC000738134481 945221408 /nfs/dbraw/zinc/22/14/08/945221408.db2.gz OKJBMVVIJMVHBK-UHFFFAOYSA-N -2 3 360.337 0.885 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000738135684 945226048 /nfs/dbraw/zinc/22/60/48/945226048.db2.gz AXEYJWYCHUMSJH-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000738135684 945226057 /nfs/dbraw/zinc/22/60/57/945226057.db2.gz AXEYJWYCHUMSJH-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([N-]NC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738137650 945246108 /nfs/dbraw/zinc/24/61/08/945246108.db2.gz XDCGYYDWGUNSEO-UHFFFAOYSA-N -2 3 355.383 0.887 20 50 FCGDHL COC(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821664806 945785414 /nfs/dbraw/zinc/78/54/14/945785414.db2.gz JYLVOABJPDOMBN-UHFFFAOYSA-N -2 3 366.281 0.435 20 50 FCGDHL COc1ccc(NCC(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821835005 945879606 /nfs/dbraw/zinc/87/96/06/945879606.db2.gz AQSFBPOIBNOCBN-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL COc1cccc(C(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1O ZINC000821858881 945889079 /nfs/dbraw/zinc/88/90/79/945889079.db2.gz HQFNQNRIGBUYIN-UHFFFAOYSA-N -2 3 360.355 0.717 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000822226412 946005082 /nfs/dbraw/zinc/00/50/82/946005082.db2.gz RCQLIPQDYKYUCR-SNVBAGLBSA-N -2 3 356.342 0.997 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000822226412 946005096 /nfs/dbraw/zinc/00/50/96/946005096.db2.gz RCQLIPQDYKYUCR-SNVBAGLBSA-N -2 3 356.342 0.997 20 50 FCGDHL N#Cc1csc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822842368 946202679 /nfs/dbraw/zinc/20/26/79/946202679.db2.gz FIWYEUHYXZOQTA-UHFFFAOYSA-N -2 3 369.366 0.640 20 50 FCGDHL O=C(Cc1cn2ccccc2n1)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000823118767 946321968 /nfs/dbraw/zinc/32/19/68/946321968.db2.gz PVORQJLLQGUTAZ-UHFFFAOYSA-N -2 3 368.382 0.580 20 50 FCGDHL CO[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC001593911607 955970668 /nfs/dbraw/zinc/97/06/68/955970668.db2.gz OQLRYFALAUBHCD-MRVPVSSYSA-N -2 3 365.567 0.963 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001588526749 958862204 /nfs/dbraw/zinc/86/22/04/958862204.db2.gz ZELNFYDBBNGTES-UHFFFAOYSA-N -2 3 356.338 0.742 20 50 FCGDHL O=C([O-])CN1CCCC[C@H](NC(=O)N[N-]C(=O)c2ccccc2F)C1=O ZINC001606254887 973580093 /nfs/dbraw/zinc/58/00/93/973580093.db2.gz AEMVDIBVPMKINZ-LBPRGKRZSA-N -2 3 366.349 0.235 20 50 FCGDHL N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001605576610 973849663 /nfs/dbraw/zinc/84/96/63/973849663.db2.gz PMZYHIBYCJRKRE-HJTPGIPUSA-N -2 3 350.352 0.009 20 50 FCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1 ZINC000737679860 978429366 /nfs/dbraw/zinc/42/93/66/978429366.db2.gz BLNHUWBPMYGAJL-UHFFFAOYSA-N -3 3 356.356 0.281 20 50 FCGDHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC000739348558 978631470 /nfs/dbraw/zinc/63/14/70/978631470.db2.gz ATXLAXXIZCCNSW-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000751556064 978692555 /nfs/dbraw/zinc/69/25/55/978692555.db2.gz VMVHANZBHIXAJK-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000786727330 978795951 /nfs/dbraw/zinc/79/59/51/978795951.db2.gz AFJXDIAPKVRMSG-UHFFFAOYSA-N -3 3 353.356 0.979 20 50 FCGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)cc1C(=O)[O-] ZINC000833054150 600814036 /nfs/dbraw/zinc/81/40/36/600814036.db2.gz OGVBWTZVGKHUNN-UHFFFAOYSA-N -3 3 372.428 0.520 20 50 FCGDHL Cc1nc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323775 607683092 /nfs/dbraw/zinc/68/30/92/607683092.db2.gz QOYCRBYHPMWCKD-UHFFFAOYSA-N -2 3 373.398 0.780 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c2ccccc12 ZINC000833734213 605600698 /nfs/dbraw/zinc/60/06/98/605600698.db2.gz OJANAVOHOMAWSI-UHFFFAOYSA-N -3 3 353.356 0.426 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824108378 609398191 /nfs/dbraw/zinc/39/81/91/609398191.db2.gz FGZPSDLTDHMVDD-UHFFFAOYSA-N -2 3 367.391 0.214 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccoc1 ZINC000826445418 609528707 /nfs/dbraw/zinc/52/87/07/609528707.db2.gz SZCYNGDJEQBPFA-UHFFFAOYSA-N -2 3 368.762 0.736 20 50 FCGDHL CCOC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825523856 609532637 /nfs/dbraw/zinc/53/26/37/609532637.db2.gz WJDCAOLURIYZIB-UHFFFAOYSA-N -2 3 356.346 0.752 20 50 FCGDHL CCOC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825523856 609532640 /nfs/dbraw/zinc/53/26/40/609532640.db2.gz WJDCAOLURIYZIB-UHFFFAOYSA-N -2 3 356.346 0.752 20 50 FCGDHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)N[N-]C(=O)c1ccccn1 ZINC000737941732 945162187 /nfs/dbraw/zinc/16/21/87/945162187.db2.gz QAKXIJKIRGJHMQ-UHFFFAOYSA-N -2 3 355.383 0.815 20 50 FCGDHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ccccn1 ZINC000737941732 945162190 /nfs/dbraw/zinc/16/21/90/945162190.db2.gz QAKXIJKIRGJHMQ-UHFFFAOYSA-N -2 3 355.383 0.815 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnc(C2CC2)n1 ZINC000738134836 945222583 /nfs/dbraw/zinc/22/25/83/945222583.db2.gz UUPUYXCDCCPODY-UHFFFAOYSA-N -2 3 350.342 0.609 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnc(C2CC2)n1 ZINC000738134836 945222590 /nfs/dbraw/zinc/22/25/90/945222590.db2.gz UUPUYXCDCCPODY-UHFFFAOYSA-N -2 3 350.342 0.609 20 50 FCGDHL CC(C)n1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735960295 944726879 /nfs/dbraw/zinc/72/68/79/944726879.db2.gz GKTXGMYNHAOKTE-UHFFFAOYSA-N -2 3 370.373 0.484 20 50 FCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737137100 944965898 /nfs/dbraw/zinc/96/58/98/944965898.db2.gz CVBPXOSXGXZAFF-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737137100 944965904 /nfs/dbraw/zinc/96/59/04/944965904.db2.gz CVBPXOSXGXZAFF-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)CC(C)(C)C ZINC000737301137 945033862 /nfs/dbraw/zinc/03/38/62/945033862.db2.gz IRTUVOKAPRJKMZ-UHFFFAOYSA-N -2 3 352.420 0.921 20 50 FCGDHL COc1cccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821860153 945888972 /nfs/dbraw/zinc/88/89/72/945888972.db2.gz XXCFBCRKAXDYOJ-UHFFFAOYSA-N -2 3 369.341 0.110 20 50 FCGDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NCc1ccco1 ZINC000064939799 957638988 /nfs/dbraw/zinc/63/89/88/957638988.db2.gz CUZCQTWBIYUCHM-UHFFFAOYSA-N -3 3 353.356 0.979 20 50 FCGDHL CC(C)c1ccc(NC(=O)C(=O)N[N-]C(=O)c2cnn(C)c2)c(C(=O)[O-])c1 ZINC001591962319 976546898 /nfs/dbraw/zinc/54/68/98/976546898.db2.gz ICLSTPRBILVBMS-UHFFFAOYSA-N -2 3 373.369 0.641 20 50 FCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)CC(C)C)c(C(=O)[O-])s1 ZINC000737682224 978430182 /nfs/dbraw/zinc/43/01/82/978430182.db2.gz XJXDIYOZGDAZNF-UHFFFAOYSA-N -3 3 364.401 0.589 20 50 FCGDHL O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000738506702 978548959 /nfs/dbraw/zinc/54/89/59/978548959.db2.gz IETIOISRJUDOEZ-UHFFFAOYSA-N -2 3 372.385 0.959 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000739022031 978613362 /nfs/dbraw/zinc/61/33/62/978613362.db2.gz GUJOAVBTHPCJRH-UHFFFAOYSA-N -3 3 358.763 0.395 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)CCOc2ccccc2)o1 ZINC000739252836 978624170 /nfs/dbraw/zinc/62/41/70/978624170.db2.gz ZOQUKYDYAPWZOB-UHFFFAOYSA-N -3 3 354.340 0.756 20 50 FCGDHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001595759039 982463391 /nfs/dbraw/zinc/46/33/91/982463391.db2.gz JAEKMJAUDUZBEJ-UHFFFAOYSA-N -3 3 359.404 0.833 20 50 FCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000916108785 982671658 /nfs/dbraw/zinc/67/16/58/982671658.db2.gz AUNRKQUAHFLWCD-UHFFFAOYSA-N -3 3 351.178 0.867 20 50 FCGDHL CC(C)(C)OC(=O)N1CC(=N[N-]C(=O)c2ncccn2)C[C@H](C(=O)[O-])C1 ZINC001589908529 988633048 /nfs/dbraw/zinc/63/30/48/988633048.db2.gz BOGIJJHCSTYAIN-JTQLQIEISA-N -2 3 363.374 0.904 20 50 FCGDHL COc1ccc(C(=O)[N-]NS(=O)(=O)CC(C)(C)C(=O)[O-])c(OC)c1 ZINC001599484050 996816300 /nfs/dbraw/zinc/81/63/00/996816300.db2.gz MYRCNXAZLPMHFR-UHFFFAOYSA-N -2 3 360.388 0.379 20 50 FCGDHL COc1cc(C)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1C(C)C ZINC001599393568 997084037 /nfs/dbraw/zinc/08/40/37/997084037.db2.gz OUNAJWJMCWISCT-UHFFFAOYSA-N -3 3 359.404 0.704 20 50 FCGDHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)NC1CCCC1 ZINC000831939146 601203875 /nfs/dbraw/zinc/20/38/75/601203875.db2.gz BSLNUKXXJXUBRG-UHFFFAOYSA-N -3 3 363.417 0.890 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000824004756 607512135 /nfs/dbraw/zinc/51/21/35/607512135.db2.gz DLROXQNSUQNJRF-UHFFFAOYSA-N -2 3 372.370 0.356 20 50 FCGDHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC000833118117 601861722 /nfs/dbraw/zinc/86/17/22/601861722.db2.gz JZVSJTACWWWISV-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)Cc2cccnc2)c1-c1nn[n-]n1 ZINC000826303177 607536141 /nfs/dbraw/zinc/53/61/41/607536141.db2.gz CTNRIJWXVDFOJZ-UHFFFAOYSA-N -2 3 373.398 0.122 20 50 FCGDHL N#CC(=Cc1cn(CC(=O)[O-])nn1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378940 608215281 /nfs/dbraw/zinc/21/52/81/608215281.db2.gz FNXPYBPFPNBMNK-VZUCSPMQSA-N -2 3 350.298 0.333 20 50 FCGDHL N#CC(=Cc1cn(CC(=O)[O-])nn1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378940 608215283 /nfs/dbraw/zinc/21/52/83/608215283.db2.gz FNXPYBPFPNBMNK-VZUCSPMQSA-N -2 3 350.298 0.333 20 50 FCGDHL CCc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825759703 608449603 /nfs/dbraw/zinc/44/96/03/608449603.db2.gz OHBFNQBQWQVLIR-UHFFFAOYSA-N -2 3 374.792 0.891 20 50 FCGDHL CCc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759703 608449605 /nfs/dbraw/zinc/44/96/05/608449605.db2.gz OHBFNQBQWQVLIR-UHFFFAOYSA-N -2 3 374.792 0.891 20 50 FCGDHL CSCCNC(=S)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826229248 608827869 /nfs/dbraw/zinc/82/78/69/608827869.db2.gz WJMFDDFNBRYOTG-UHFFFAOYSA-N -2 3 373.414 0.617 20 50 FCGDHL O=C([N-]NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)on1 ZINC000826445089 609421335 /nfs/dbraw/zinc/42/13/35/609421335.db2.gz GOAFZIALCOZAJT-UHFFFAOYSA-N -2 3 364.325 0.925 20 50 FCGDHL O=C([N-]NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)on1 ZINC000826445089 609421339 /nfs/dbraw/zinc/42/13/39/609421339.db2.gz GOAFZIALCOZAJT-UHFFFAOYSA-N -2 3 364.325 0.925 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738136199 945230297 /nfs/dbraw/zinc/23/02/97/945230297.db2.gz HTFBFBWLQFMXGC-UHFFFAOYSA-N -2 3 360.337 0.885 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)c1ccccc1 ZINC000737225194 945016161 /nfs/dbraw/zinc/01/61/61/945016161.db2.gz KCSQKCCNEVXTPR-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737370276 945050752 /nfs/dbraw/zinc/05/07/52/945050752.db2.gz PROQNYPQAUQPNE-UHFFFAOYSA-N -2 3 364.412 0.860 20 50 FCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737370276 945050761 /nfs/dbraw/zinc/05/07/61/945050761.db2.gz PROQNYPQAUQPNE-UHFFFAOYSA-N -2 3 364.412 0.860 20 50 FCGDHL CCNc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821309724 945668145 /nfs/dbraw/zinc/66/81/45/945668145.db2.gz RFGCEQAILBVWNN-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL CCNc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821309724 945668149 /nfs/dbraw/zinc/66/81/49/945668149.db2.gz RFGCEQAILBVWNN-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL COc1ccccc1CC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821889866 945899431 /nfs/dbraw/zinc/89/94/31/945899431.db2.gz GXLQFQXBKTUNOL-UHFFFAOYSA-N -2 3 358.383 0.941 20 50 FCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000826272461 947789759 /nfs/dbraw/zinc/78/97/59/947789759.db2.gz KTPBOQCKJUFFHO-UHFFFAOYSA-N -2 3 362.371 0.700 20 50 FCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826272461 947789767 /nfs/dbraw/zinc/78/97/67/947789767.db2.gz KTPBOQCKJUFFHO-UHFFFAOYSA-N -2 3 362.371 0.700 20 50 FCGDHL O=C([O-])CCN(CC(=O)N[N-]C(=O)c1cccs1)C1CCOCC1 ZINC001595055774 951496350 /nfs/dbraw/zinc/49/63/50/951496350.db2.gz GPYGIXHLNDMWGI-UHFFFAOYSA-N -2 3 355.416 0.465 20 50 FCGDHL O=C([O-])[C@H]1CN(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CCO1 ZINC000819194517 955437766 /nfs/dbraw/zinc/43/77/66/955437766.db2.gz CBYXYISXFVXDQJ-CYBMUJFWSA-N -2 3 359.342 0.012 20 50 FCGDHL O=C([O-])C1(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CCOCC1 ZINC001605814695 972538457 /nfs/dbraw/zinc/53/84/57/972538457.db2.gz OUEXBUOCDWIERO-UHFFFAOYSA-N -2 3 358.354 0.515 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737763565 978443959 /nfs/dbraw/zinc/44/39/59/978443959.db2.gz ZQPLCWHNEKHYEE-UHFFFAOYSA-N -3 3 365.795 0.567 20 50 FCGDHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)cc1 ZINC000739886766 978658177 /nfs/dbraw/zinc/65/81/77/978658177.db2.gz YYBFEQUBMIWANP-UHFFFAOYSA-N -3 3 352.368 0.849 20 50 FCGDHL COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)N(C)C)c1OC ZINC001599399284 997185429 /nfs/dbraw/zinc/18/54/29/997185429.db2.gz MLAFZARXVPQVKA-WAYWQWQTSA-N -3 3 373.387 0.266 20 50 FCGDHL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC001598915483 997456458 /nfs/dbraw/zinc/45/64/58/997456458.db2.gz DGVZQQAAJIXNGY-UHFFFAOYSA-N -3 3 364.401 0.507 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC000826303417 607534637 /nfs/dbraw/zinc/53/46/37/607534637.db2.gz NWHMPBCSNCQDHF-UHFFFAOYSA-N -2 3 350.404 0.675 20 50 FCGDHL Cc1nscc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826340282 609294457 /nfs/dbraw/zinc/29/44/57/609294457.db2.gz QKRMSPSCSUKGRS-UHFFFAOYSA-N -2 3 359.371 0.472 20 50 FCGDHL Cc1ccsc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737442303 945067943 /nfs/dbraw/zinc/06/79/43/945067943.db2.gz PKRNAVLZYPUSBN-UHFFFAOYSA-N -2 3 364.412 0.860 20 50 FCGDHL Cc1ccsc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737442303 945067952 /nfs/dbraw/zinc/06/79/52/945067952.db2.gz PKRNAVLZYPUSBN-UHFFFAOYSA-N -2 3 364.412 0.860 20 50 FCGDHL N#Cc1cccc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737723401 945116321 /nfs/dbraw/zinc/11/63/21/945116321.db2.gz UFBYFYJSENTEEE-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL O=C(NNC(=O)c1ccc(Cl)cc1[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738137711 945248190 /nfs/dbraw/zinc/24/81/90/945248190.db2.gz YMFPFMFBISTRRI-UHFFFAOYSA-N -2 3 359.733 0.696 20 50 FCGDHL C=CCNc1ncc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819751058 945281804 /nfs/dbraw/zinc/28/18/04/945281804.db2.gz NVESHIYDOVTVCH-UHFFFAOYSA-N -2 3 370.398 0.996 20 50 FCGDHL C=CCNc1ncc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819751058 945281812 /nfs/dbraw/zinc/28/18/12/945281812.db2.gz NVESHIYDOVTVCH-UHFFFAOYSA-N -2 3 370.398 0.996 20 50 FCGDHL CNC(=O)N[N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736879135 944903336 /nfs/dbraw/zinc/90/33/36/944903336.db2.gz QDABTHXGENTWSC-UHFFFAOYSA-N -2 3 357.330 0.613 20 50 FCGDHL COc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737142098 944968660 /nfs/dbraw/zinc/96/86/60/944968660.db2.gz RQQXDXOVVLFCGA-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737142098 944968665 /nfs/dbraw/zinc/96/86/65/944968665.db2.gz RQQXDXOVVLFCGA-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL O=C(CC(F)(F)F)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822934630 946223442 /nfs/dbraw/zinc/22/34/42/946223442.db2.gz AREHZJTVAXYXFZ-UHFFFAOYSA-N -2 3 350.207 0.858 20 50 FCGDHL O=C([N-]NC(=O)[C@H]1COc2ccccc2O1)c1cc(-c2nn[n-]n2)cs1 ZINC000823273215 946377066 /nfs/dbraw/zinc/37/70/66/946377066.db2.gz INACDMHNPQIQRD-LLVKDONJSA-N -2 3 372.366 0.529 20 50 FCGDHL O=C([N-]NC(=O)c1ccccc1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823277232 946398092 /nfs/dbraw/zinc/39/80/92/946398092.db2.gz HQNZXXUIGLGFGL-UHFFFAOYSA-N -2 3 360.280 0.925 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@]2(C(=O)[O-])CCCO2)o1 ZINC001589726418 950469525 /nfs/dbraw/zinc/46/95/25/950469525.db2.gz XARITRGOZPRJKD-INIZCTEOSA-N -2 3 353.375 0.516 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)ccc1Cl ZINC000728856627 978295077 /nfs/dbraw/zinc/29/50/77/978295077.db2.gz YSENKYUUDWYKPI-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C)c1 ZINC000737683305 978430167 /nfs/dbraw/zinc/43/01/67/978430167.db2.gz QLZRIGRUDJGHTC-UHFFFAOYSA-N -3 3 372.399 0.917 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)cc1C(=O)[O-] ZINC000738061350 978471453 /nfs/dbraw/zinc/47/14/53/978471453.db2.gz UKWKABLEQIFMAF-UHFFFAOYSA-N -3 3 368.367 0.929 20 50 FCGDHL C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000842592399 979320902 /nfs/dbraw/zinc/32/09/02/979320902.db2.gz KXINFPJJQVJUJR-VXNVDRBHSA-N -3 3 362.791 0.773 20 50 FCGDHL C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001594644476 986833453 /nfs/dbraw/zinc/83/34/53/986833453.db2.gz NDYSNXNAIHDLEA-JGVFFNPUSA-N -3 3 362.791 0.773 20 50 FCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000823277587 599556981 /nfs/dbraw/zinc/55/69/81/599556981.db2.gz QZUQASRHOVPFKZ-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000823277587 599556983 /nfs/dbraw/zinc/55/69/83/599556983.db2.gz QZUQASRHOVPFKZ-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL O=C([N-]NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cc(-c2ccccc2)on1 ZINC000823277586 606314206 /nfs/dbraw/zinc/31/42/06/606314206.db2.gz QZLSEOMYLZQIKD-UHFFFAOYSA-N -2 3 364.325 0.925 20 50 FCGDHL O=C([N-]NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cc(-c2ccccc2)on1 ZINC000823277586 606314208 /nfs/dbraw/zinc/31/42/08/606314208.db2.gz QZLSEOMYLZQIKD-UHFFFAOYSA-N -2 3 364.325 0.925 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737499811 945084652 /nfs/dbraw/zinc/08/46/52/945084652.db2.gz KVJYONRIKMXUMB-UHFFFAOYSA-N -2 3 358.387 0.776 20 50 FCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ccc(Cl)cn1 ZINC000737918532 945151888 /nfs/dbraw/zinc/15/18/88/945151888.db2.gz JDDFYNAZCIVRAJ-UHFFFAOYSA-N -2 3 373.760 0.755 20 50 FCGDHL CCCCNC(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736460414 944826095 /nfs/dbraw/zinc/82/60/95/944826095.db2.gz GTUFEGWVYZZLCL-UHFFFAOYSA-N -2 3 353.408 0.468 20 50 FCGDHL O=C(COCc1ccccc1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823032552 946283357 /nfs/dbraw/zinc/28/33/57/946283357.db2.gz ZDBHQTSVEWYHCJ-UHFFFAOYSA-N -2 3 358.383 0.906 20 50 FCGDHL O=C([O-])c1ccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)[nH]1 ZINC000823050064 946296525 /nfs/dbraw/zinc/29/65/25/946296525.db2.gz PENFDGKLMFNKQA-UHFFFAOYSA-N -2 3 355.314 0.422 20 50 FCGDHL O=C([O-])c1ccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]1 ZINC000823050064 946296535 /nfs/dbraw/zinc/29/65/35/946296535.db2.gz PENFDGKLMFNKQA-UHFFFAOYSA-N -2 3 355.314 0.422 20 50 FCGDHL O=C(NNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000823276994 946391927 /nfs/dbraw/zinc/39/19/27/946391927.db2.gz BCMHWCYBZMKDID-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL O=C(NNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000823276994 946391941 /nfs/dbraw/zinc/39/19/41/946391941.db2.gz BCMHWCYBZMKDID-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)C2CCN(c3ncccn3)CC2)nc1 ZINC000740110491 955257787 /nfs/dbraw/zinc/25/77/87/955257787.db2.gz WQYXIYVXJVHIEL-UHFFFAOYSA-N -2 3 370.369 0.247 20 50 FCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000740206369 955258004 /nfs/dbraw/zinc/25/80/04/955258004.db2.gz BVUOIWPBBKNQFB-ZDUSSCGKSA-N -2 3 356.342 0.199 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(F)cc1F ZINC000739455352 978641259 /nfs/dbraw/zinc/64/12/59/978641259.db2.gz ZHDKHEWNMVZLMB-UHFFFAOYSA-N -3 3 357.294 0.681 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)cc1C(=O)[O-] ZINC000753086963 978693582 /nfs/dbraw/zinc/69/35/82/978693582.db2.gz YEJCXLZNJFZSLJ-UHFFFAOYSA-N -3 3 354.340 0.918 20 50 FCGDHL Cc1cccc(C(=O)[N-][N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000794600112 978813948 /nfs/dbraw/zinc/81/39/48/978813948.db2.gz YUHLJZRGVFUCKZ-UHFFFAOYSA-N -3 3 371.321 0.990 20 50 FCGDHL CS(=O)(=O)[N-]c1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826223913 607727541 /nfs/dbraw/zinc/72/75/41/607727541.db2.gz FTFFYGKMQHCQOV-UHFFFAOYSA-N -2 3 373.398 0.995 20 50 FCGDHL CS(=O)(=O)[N-]c1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826223913 607727543 /nfs/dbraw/zinc/72/75/43/607727543.db2.gz FTFFYGKMQHCQOV-UHFFFAOYSA-N -2 3 373.398 0.995 20 50 FCGDHL Cc1ccn2ncc(C(=O)[N-]NC(=O)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737434807 945064825 /nfs/dbraw/zinc/06/48/25/945064825.db2.gz CLNLBWXATWCWJG-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL Cc1ccn2ncc(C(=O)[N-]NC(=O)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737434807 945064836 /nfs/dbraw/zinc/06/48/36/945064836.db2.gz CLNLBWXATWCWJG-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL O=C(CCOc1ccccc1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737850392 945139401 /nfs/dbraw/zinc/13/94/01/945139401.db2.gz WMDKZWNSXVUUOD-UHFFFAOYSA-N -2 3 353.342 0.492 20 50 FCGDHL O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737955434 945166837 /nfs/dbraw/zinc/16/68/37/945166837.db2.gz HAOLPARLESBGRT-UHFFFAOYSA-N -2 3 357.761 0.919 20 50 FCGDHL O=C([N-]NC(=O)NCCc1cccs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738088538 945185205 /nfs/dbraw/zinc/18/52/05/945185205.db2.gz QJFWRCDKDMDTAG-UHFFFAOYSA-N -2 3 358.387 0.510 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819828036 945296109 /nfs/dbraw/zinc/29/61/09/945296109.db2.gz XYFOGSKBQIBBLJ-UHFFFAOYSA-N -2 3 372.370 0.356 20 50 FCGDHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1ccccn1 ZINC000820001232 945325741 /nfs/dbraw/zinc/32/57/41/945325741.db2.gz GEYHMOGZJOTYBA-UHFFFAOYSA-N -2 3 367.369 0.880 20 50 FCGDHL Cc1ccc(OCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737363611 945049932 /nfs/dbraw/zinc/04/99/32/945049932.db2.gz BWHXWRBOMNZVLI-UHFFFAOYSA-N -2 3 353.342 0.410 20 50 FCGDHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CO1 ZINC001574686088 962609208 /nfs/dbraw/zinc/60/92/08/962609208.db2.gz IVQFXHFDMOVMSF-SWLSCSKDSA-N -2 3 372.381 0.903 20 50 FCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605163692 972854058 /nfs/dbraw/zinc/85/40/58/972854058.db2.gz ATYXHGVNHOOGDB-NSHDSACASA-N -2 3 350.379 0.185 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000735461484 978301447 /nfs/dbraw/zinc/30/14/47/978301447.db2.gz JLTNAJRIABLDEH-UHFFFAOYSA-N -3 3 358.763 0.395 20 50 FCGDHL O=C([O-])N1CCC[C@H](NC(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000739455374 978641424 /nfs/dbraw/zinc/64/14/24/978641424.db2.gz ZSPGOOKYNCRAJE-ZDUSSCGKSA-N -2 3 372.385 0.959 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c(F)c1 ZINC000743258087 978677729 /nfs/dbraw/zinc/67/77/29/978677729.db2.gz XSBJFYWMKLTYKZ-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCCS1 ZINC000818052863 978907805 /nfs/dbraw/zinc/90/78/05/978907805.db2.gz HBMUBKPXSLTFQM-JTQLQIEISA-N -3 3 360.413 0.599 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)o1 ZINC001596275548 983694508 /nfs/dbraw/zinc/69/45/08/983694508.db2.gz KCZFQIYYPPMHSH-QWHCGFSZSA-N -2 3 353.375 0.515 20 50 FCGDHL C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001594646185 986842519 /nfs/dbraw/zinc/84/25/19/986842519.db2.gz WWRYLPMRRVYLKI-RDDDGLTNSA-N -3 3 362.791 0.773 20 50 FCGDHL C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001594646184 986842850 /nfs/dbraw/zinc/84/28/50/986842850.db2.gz WWRYLPMRRVYLKI-HQJQHLMTSA-N -3 3 362.791 0.773 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599227644 997788272 /nfs/dbraw/zinc/78/82/72/997788272.db2.gz YHHGBYZJCFZOBD-UHFFFAOYSA-N -3 3 365.795 0.567 20 50 FCGDHL CCc1ccnc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825728085 608426548 /nfs/dbraw/zinc/42/65/48/608426548.db2.gz HYJSJDFXVUHKJG-UHFFFAOYSA-N -2 3 367.369 0.664 20 50 FCGDHL Cc1ncc(Cl)c(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737493022 945082538 /nfs/dbraw/zinc/08/25/38/945082538.db2.gz WVQRBKVWMCHZGY-UHFFFAOYSA-N -2 3 358.749 0.693 20 50 FCGDHL Cc1ncc(Cl)c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737493022 945082547 /nfs/dbraw/zinc/08/25/47/945082547.db2.gz WVQRBKVWMCHZGY-UHFFFAOYSA-N -2 3 358.749 0.693 20 50 FCGDHL NC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737758633 945123243 /nfs/dbraw/zinc/12/32/43/945123243.db2.gz ARXWIIRWSCFICY-UHFFFAOYSA-N -2 3 357.355 0.102 20 50 FCGDHL NC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737758633 945123245 /nfs/dbraw/zinc/12/32/45/945123245.db2.gz ARXWIIRWSCFICY-UHFFFAOYSA-N -2 3 357.355 0.102 20 50 FCGDHL CC(C)(C)C(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000819898955 945310460 /nfs/dbraw/zinc/31/04/60/945310460.db2.gz LHTREENZEWLWMW-UHFFFAOYSA-N -2 3 369.363 0.131 20 50 FCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nn1C ZINC000820187761 945370799 /nfs/dbraw/zinc/37/07/99/945370799.db2.gz PPDBVSNITVVQMN-UHFFFAOYSA-N -2 3 354.374 0.798 20 50 FCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nn1C ZINC000820187761 945370807 /nfs/dbraw/zinc/37/08/07/945370807.db2.gz PPDBVSNITVVQMN-UHFFFAOYSA-N -2 3 354.374 0.798 20 50 FCGDHL CCOc1cccnc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821438299 945695079 /nfs/dbraw/zinc/69/50/79/945695079.db2.gz YEWXMBOSYOOKKX-UHFFFAOYSA-N -2 3 353.342 0.735 20 50 FCGDHL CCOc1cccnc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821438299 945695082 /nfs/dbraw/zinc/69/50/82/945695082.db2.gz YEWXMBOSYOOKKX-UHFFFAOYSA-N -2 3 353.342 0.735 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822226173 946003416 /nfs/dbraw/zinc/00/34/16/946003416.db2.gz GDLOQPZEBVDUMF-UHFFFAOYSA-N -2 3 371.357 0.791 20 50 FCGDHL O=C([N-]NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273703 946386786 /nfs/dbraw/zinc/38/67/86/946386786.db2.gz UKFMMMIOGLLBQV-JTQLQIEISA-N -2 3 356.367 0.693 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1cc(-c2nn[n-]n2)cs1 ZINC000823277342 946402051 /nfs/dbraw/zinc/40/20/51/946402051.db2.gz LCFGDBZFBPAVHB-UHFFFAOYSA-N -2 3 372.366 0.774 20 50 FCGDHL CC(C)c1nnsc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001574440067 949020412 /nfs/dbraw/zinc/02/04/12/949020412.db2.gz MEJLOULXVACCRN-UHFFFAOYSA-N -2 3 358.387 0.916 20 50 FCGDHL CC(C)c1nnsc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001574440067 949020430 /nfs/dbraw/zinc/02/04/30/949020430.db2.gz MEJLOULXVACCRN-UHFFFAOYSA-N -2 3 358.387 0.916 20 50 FCGDHL O=C([O-])CN1CCC[C@@H](C(=O)NN=c2ncc(Br)c[n-]2)C1=O ZINC001595084965 951719290 /nfs/dbraw/zinc/71/92/90/951719290.db2.gz ZHRZYTNOJQKTPX-QMMMGPOBSA-N -2 3 372.179 0.005 20 50 FCGDHL O=C([O-])CN1CCCC[C@@H](NC(=O)NN=c2ncc(Cl)c[n-]2)C1=O ZINC001606256486 973596705 /nfs/dbraw/zinc/59/67/05/973596705.db2.gz ZKGDEDGAWUUDCW-SECBINFHSA-N -2 3 356.770 0.222 20 50 FCGDHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000736869643 978363753 /nfs/dbraw/zinc/36/37/53/978363753.db2.gz SEZBDKHWIVDGLG-ZCFIWIBFSA-N -3 3 364.401 0.589 20 50 FCGDHL CCOc1cc(C(=O)N[N-]C(=O)c2c[nH]nc2C)ccc1OCC(=O)[O-] ZINC000737185290 978384845 /nfs/dbraw/zinc/38/48/45/978384845.db2.gz JHBYJEHPJCZCSA-UHFFFAOYSA-N -2 3 362.342 0.655 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c1 ZINC001589223014 985735305 /nfs/dbraw/zinc/73/53/05/985735305.db2.gz IYLUOUQNFDKKKZ-WCQYABFASA-N -2 3 364.358 0.071 20 50 FCGDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCCS2)c1 ZINC001599280790 996893451 /nfs/dbraw/zinc/89/34/51/996893451.db2.gz JDDFFFKCBCBUEO-GFCCVEGCSA-N -3 3 374.440 0.736 20 50 FCGDHL Cc1cccnc1C(=O)N[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826307968 607763532 /nfs/dbraw/zinc/76/35/32/607763532.db2.gz CYDCOKILLIHEHE-UHFFFAOYSA-N -2 3 358.749 0.693 20 50 FCGDHL Cc1cccnc1C(=O)N[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826307968 607763533 /nfs/dbraw/zinc/76/35/33/607763533.db2.gz CYDCOKILLIHEHE-UHFFFAOYSA-N -2 3 358.749 0.693 20 50 FCGDHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1 ZINC000833421866 605597997 /nfs/dbraw/zinc/59/79/97/605597997.db2.gz IXPGMXZMDMTJFP-UHFFFAOYSA-N -3 3 372.403 0.248 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260135 609534802 /nfs/dbraw/zinc/53/48/02/609534802.db2.gz XXXYDGAFOKQXFE-UHFFFAOYSA-N -2 3 352.358 0.532 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260135 609534803 /nfs/dbraw/zinc/53/48/03/609534803.db2.gz XXXYDGAFOKQXFE-UHFFFAOYSA-N -2 3 352.358 0.532 20 50 FCGDHL N#Cc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737727693 945119019 /nfs/dbraw/zinc/11/90/19/945119019.db2.gz QXHAMSPFFCSPGT-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL N#Cc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737727693 945119025 /nfs/dbraw/zinc/11/90/25/945119025.db2.gz QXHAMSPFFCSPGT-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL NC(=O)c1csc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737763349 945123128 /nfs/dbraw/zinc/12/31/28/945123128.db2.gz BWGUXLHFZOYVQR-UHFFFAOYSA-N -2 3 357.355 0.102 20 50 FCGDHL NC(=O)c1csc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737763349 945123130 /nfs/dbraw/zinc/12/31/30/945123130.db2.gz BWGUXLHFZOYVQR-UHFFFAOYSA-N -2 3 357.355 0.102 20 50 FCGDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NN=c2cccn[n-]2)C1=O ZINC001611344485 971000892 /nfs/dbraw/zinc/00/08/92/971000892.db2.gz JKCMZJYHZPSJHE-OCCSQVGLSA-N -2 3 370.369 0.530 20 50 FCGDHL CCc1ocnc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736714456 944876045 /nfs/dbraw/zinc/87/60/45/944876045.db2.gz WFLLZOVMOSJGFZ-UHFFFAOYSA-N -2 3 357.330 0.257 20 50 FCGDHL CN(C)C(=O)N[N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736751066 944882711 /nfs/dbraw/zinc/88/27/11/944882711.db2.gz GVZNZTSHTUPDOB-UHFFFAOYSA-N -2 3 371.357 0.955 20 50 FCGDHL CN(C)c1cccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736780317 944889972 /nfs/dbraw/zinc/88/99/72/944889972.db2.gz PTEZWDMZCMMUFU-UHFFFAOYSA-N -2 3 352.358 0.403 20 50 FCGDHL COc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737155623 944972093 /nfs/dbraw/zinc/97/20/93/944972093.db2.gz KHLAIIKUVXGTTA-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737155623 944972097 /nfs/dbraw/zinc/97/20/97/944972097.db2.gz KHLAIIKUVXGTTA-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1ccccc1CC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821890402 945899547 /nfs/dbraw/zinc/89/95/47/945899547.db2.gz NAKDTTDZZQKHJS-UHFFFAOYSA-N -2 3 358.383 0.941 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822226501 946005575 /nfs/dbraw/zinc/00/55/75/946005575.db2.gz VNSMFYZDQWVHGC-UHFFFAOYSA-N -2 3 370.329 0.057 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822226501 946005587 /nfs/dbraw/zinc/00/55/87/946005587.db2.gz VNSMFYZDQWVHGC-UHFFFAOYSA-N -2 3 370.329 0.057 20 50 FCGDHL N#Cc1ccc(OCC(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822833238 946199939 /nfs/dbraw/zinc/19/99/39/946199939.db2.gz MOTGEUYUCQKVTF-UHFFFAOYSA-N -2 3 369.366 0.640 20 50 FCGDHL O=C(Cc1cccnc1)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823115068 946318987 /nfs/dbraw/zinc/31/89/87/946318987.db2.gz IZROTLCUIBLBPZ-UHFFFAOYSA-N -2 3 359.296 0.544 20 50 FCGDHL O=C(Cc1ccccn1)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823115457 946319832 /nfs/dbraw/zinc/31/98/32/946319832.db2.gz OHJXEJYRNLFKBM-UHFFFAOYSA-N -2 3 359.296 0.544 20 50 FCGDHL O=C(Cn1cnc2ccccc21)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823136417 946329487 /nfs/dbraw/zinc/32/94/87/946329487.db2.gz ZMTWKMRVFNBGGK-UHFFFAOYSA-N -2 3 368.382 0.739 20 50 FCGDHL O=C([N-]NC(=O)[C@@H]1COc2ccccc2O1)c1cc(-c2nn[n-]n2)cs1 ZINC000823273216 946376946 /nfs/dbraw/zinc/37/69/46/946376946.db2.gz INACDMHNPQIQRD-NSHDSACASA-N -2 3 372.366 0.529 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823277320 946399663 /nfs/dbraw/zinc/39/96/63/946399663.db2.gz KGBYAYRDLGSZRR-UHFFFAOYSA-N -2 3 358.339 0.732 20 50 FCGDHL O=C([O-])C1=NO[C@H](C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1 ZINC001594888832 954493774 /nfs/dbraw/zinc/49/37/74/954493774.db2.gz GWEHQPSDCHWQTC-VIFPVBQESA-N -2 3 374.122 0.579 20 50 FCGDHL C[N-]S(=O)(=O)c1cc(C(=O)NNc2ncccc2C(=O)[O-])ccc1F ZINC001593799173 954846544 /nfs/dbraw/zinc/84/65/44/954846544.db2.gz RXYFMNSYHVGFNB-UHFFFAOYSA-N -2 3 368.346 0.584 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)c2n[nH]c3c2CCCC3)cc1 ZINC000015480395 957096446 /nfs/dbraw/zinc/09/64/46/957096446.db2.gz QEUICAZKYNGQDK-UHFFFAOYSA-N -3 3 364.383 0.610 20 50 FCGDHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CO1 ZINC001574686087 962610347 /nfs/dbraw/zinc/61/03/47/962610347.db2.gz IVQFXHFDMOVMSF-IUODEOHRSA-N -2 3 372.381 0.903 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000291901547 962904266 /nfs/dbraw/zinc/90/42/66/962904266.db2.gz KYCJTZBWYJYHLH-UHFFFAOYSA-N -3 3 363.367 0.361 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc1 ZINC000299395978 962937634 /nfs/dbraw/zinc/93/76/34/962937634.db2.gz KYCNZVNMYDOUIP-UHFFFAOYSA-N -3 3 357.388 0.585 20 50 FCGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1C ZINC000728856634 978294832 /nfs/dbraw/zinc/29/48/32/978294832.db2.gz ZFXRGMFIASXSKF-UHFFFAOYSA-N -3 3 363.395 0.949 20 50 FCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C1CCC1 ZINC000737687659 978430836 /nfs/dbraw/zinc/43/08/36/978430836.db2.gz GPARJSTZZJLXQZ-UHFFFAOYSA-N -3 3 356.356 0.281 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)ccc1O ZINC000739348969 978631236 /nfs/dbraw/zinc/63/12/36/978631236.db2.gz GANMENWAEPKREB-UHFFFAOYSA-N -3 3 351.340 0.038 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c(Cl)c1 ZINC000739349485 978631301 /nfs/dbraw/zinc/63/13/01/978631301.db2.gz NDJONPKBEQFJRC-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCCS1 ZINC000818052865 978907943 /nfs/dbraw/zinc/90/79/43/978907943.db2.gz HBMUBKPXSLTFQM-SNVBAGLBSA-N -3 3 360.413 0.599 20 50 FCGDHL Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000842592101 979320777 /nfs/dbraw/zinc/32/07/77/979320777.db2.gz IRSGNALZVQZQQE-DTWKUNHWSA-N -3 3 360.363 0.567 20 50 FCGDHL C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001594646187 986843312 /nfs/dbraw/zinc/84/33/12/986843312.db2.gz WWRYLPMRRVYLKI-WRWORJQWSA-N -3 3 362.791 0.773 20 50 FCGDHL CO[C@@H]1CCC[C@H]([C@H](NCC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108182 997517644 /nfs/dbraw/zinc/51/76/44/997517644.db2.gz AYSGIFZVQVFALC-WDMOLILDSA-N -2 3 369.443 0.757 20 50 FCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000823277733 599556694 /nfs/dbraw/zinc/55/66/94/599556694.db2.gz VNSOBGDAOKNJBW-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000823277733 599556696 /nfs/dbraw/zinc/55/66/96/599556696.db2.gz VNSOBGDAOKNJBW-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000833442001 605087185 /nfs/dbraw/zinc/08/71/85/605087185.db2.gz LRBHWBZSOHWDNB-UHFFFAOYSA-N -2 3 366.374 0.846 20 50 FCGDHL Cn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(F)F)n1 ZINC000826359031 607862303 /nfs/dbraw/zinc/86/23/03/607862303.db2.gz SLMPHEHHORABMX-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL Cn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(F)F)n1 ZINC000826359031 607862304 /nfs/dbraw/zinc/86/23/04/607862304.db2.gz SLMPHEHHORABMX-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL COCc1nc(C)c(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826165490 607980354 /nfs/dbraw/zinc/98/03/54/607980354.db2.gz XIOHIKKIRWCLBU-UHFFFAOYSA-N -2 3 373.398 0.853 20 50 FCGDHL COCc1nc(C)c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826165490 607980355 /nfs/dbraw/zinc/98/03/55/607980355.db2.gz XIOHIKKIRWCLBU-UHFFFAOYSA-N -2 3 373.398 0.853 20 50 FCGDHL C=CCOc1cccnc1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823931766 608550142 /nfs/dbraw/zinc/55/01/42/608550142.db2.gz FESVNNCNQFJZGO-UHFFFAOYSA-N -2 3 365.353 0.901 20 50 FCGDHL C=CCOc1cccnc1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823931766 608550144 /nfs/dbraw/zinc/55/01/44/608550144.db2.gz FESVNNCNQFJZGO-UHFFFAOYSA-N -2 3 365.353 0.901 20 50 FCGDHL CN([N-]C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(N)=O ZINC000826004261 608863441 /nfs/dbraw/zinc/86/34/41/608863441.db2.gz QAJNTMZTONJCDC-UHFFFAOYSA-N -2 3 357.330 0.694 20 50 FCGDHL CN([N-]C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(N)=O ZINC000826004261 608863442 /nfs/dbraw/zinc/86/34/42/608863442.db2.gz QAJNTMZTONJCDC-UHFFFAOYSA-N -2 3 357.330 0.694 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259798 609535118 /nfs/dbraw/zinc/53/51/18/609535118.db2.gz GUTSFJXVLUUYOF-UHFFFAOYSA-N -2 3 354.374 0.778 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259798 609535120 /nfs/dbraw/zinc/53/51/20/609535120.db2.gz GUTSFJXVLUUYOF-UHFFFAOYSA-N -2 3 354.374 0.778 20 50 FCGDHL Cc1ccsc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737442196 945069338 /nfs/dbraw/zinc/06/93/38/945069338.db2.gz NIWIAKXYUOWAPE-UHFFFAOYSA-N -2 3 364.412 0.860 20 50 FCGDHL Cc1ccsc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737442196 945069349 /nfs/dbraw/zinc/06/93/49/945069349.db2.gz NIWIAKXYUOWAPE-UHFFFAOYSA-N -2 3 364.412 0.860 20 50 FCGDHL Cn1ncc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000737621498 945104688 /nfs/dbraw/zinc/10/46/88/945104688.db2.gz IBTKAXNCCDZAPH-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL Cn1ncc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000737621498 945104696 /nfs/dbraw/zinc/10/46/96/945104696.db2.gz IBTKAXNCCDZAPH-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccoc1 ZINC000738134233 945216260 /nfs/dbraw/zinc/21/62/60/945216260.db2.gz HJZQPGGZFLVVNY-UHFFFAOYSA-N -2 3 352.307 0.222 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnc(C2CC2)n1 ZINC000738134905 945224568 /nfs/dbraw/zinc/22/45/68/945224568.db2.gz YINFCBMXAQUWJM-UHFFFAOYSA-N -2 3 350.342 0.609 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnc(C2CC2)n1 ZINC000738134905 945224573 /nfs/dbraw/zinc/22/45/73/945224573.db2.gz YINFCBMXAQUWJM-UHFFFAOYSA-N -2 3 350.342 0.609 20 50 FCGDHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NN=c2cccn[n-]2)C1=O ZINC001611344477 971000209 /nfs/dbraw/zinc/00/02/09/971000209.db2.gz JKCMZJYHZPSJHE-GXTWGEPZSA-N -2 3 370.369 0.530 20 50 FCGDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)NN=c2cccn[n-]2)C1=O ZINC001611344480 971000526 /nfs/dbraw/zinc/00/05/26/971000526.db2.gz JKCMZJYHZPSJHE-JSGCOSHPSA-N -2 3 370.369 0.530 20 50 FCGDHL CC(C)CCn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000735818568 944704376 /nfs/dbraw/zinc/70/43/76/944704376.db2.gz MTCFHOIOCIGIFY-UHFFFAOYSA-N -2 3 369.389 0.579 20 50 FCGDHL CC(C)CCn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000735818568 944704383 /nfs/dbraw/zinc/70/43/83/944704383.db2.gz MTCFHOIOCIGIFY-UHFFFAOYSA-N -2 3 369.389 0.579 20 50 FCGDHL CC(C)c1ocnc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735953314 944728278 /nfs/dbraw/zinc/72/82/78/944728278.db2.gz GYOOFCPGHHFTEN-UHFFFAOYSA-N -2 3 371.357 0.818 20 50 FCGDHL COC(=O)c1cccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736948765 944917180 /nfs/dbraw/zinc/91/71/80/944917180.db2.gz PIFXBPMIZHKKRA-UHFFFAOYSA-N -2 3 367.325 0.123 20 50 FCGDHL COC(=O)c1cccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736948765 944917183 /nfs/dbraw/zinc/91/71/83/944917183.db2.gz PIFXBPMIZHKKRA-UHFFFAOYSA-N -2 3 367.325 0.123 20 50 FCGDHL COc1cccc(NCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821873866 945891965 /nfs/dbraw/zinc/89/19/65/945891965.db2.gz ZLRFRLBDZMDZMT-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000822226242 946006703 /nfs/dbraw/zinc/00/67/03/946006703.db2.gz JIGRDBCMTPRLER-UHFFFAOYSA-N -2 3 371.361 0.219 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000822226242 946006712 /nfs/dbraw/zinc/00/67/12/946006712.db2.gz JIGRDBCMTPRLER-UHFFFAOYSA-N -2 3 371.361 0.219 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NCCNc2ncccc2-c2nnn[n-]2)o1 ZINC000822226574 946009098 /nfs/dbraw/zinc/00/90/98/946009098.db2.gz YVSYUAPZTSVABO-UHFFFAOYSA-N -2 3 371.361 0.219 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NCCNc2ncccc2-c2nn[n-]n2)o1 ZINC000822226574 946009107 /nfs/dbraw/zinc/00/91/07/946009107.db2.gz YVSYUAPZTSVABO-UHFFFAOYSA-N -2 3 371.361 0.219 20 50 FCGDHL O=C(Cc1cccc(-c2nnn[n-]2)c1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000823103539 946308416 /nfs/dbraw/zinc/30/84/16/946308416.db2.gz IFEHVSZOZNIRHG-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL O=C(Cc1cccc(-c2nn[n-]n2)c1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000823103539 946308423 /nfs/dbraw/zinc/30/84/23/946308423.db2.gz IFEHVSZOZNIRHG-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001573357238 958583454 /nfs/dbraw/zinc/58/34/54/958583454.db2.gz YVFQUFKOUOMRJR-AAEUAGOBSA-N -2 3 364.358 0.071 20 50 FCGDHL CS(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC001594174393 959027732 /nfs/dbraw/zinc/02/77/32/959027732.db2.gz KUNYYSRMGDWYSA-UHFFFAOYSA-N -2 3 363.351 0.258 20 50 FCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)CN2CCCc3ccccc32)nc1 ZINC001574526965 961883950 /nfs/dbraw/zinc/88/39/50/961883950.db2.gz BYSJIUDFNNKQSV-UHFFFAOYSA-N -2 3 354.366 0.994 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)cc1 ZINC000728856575 978295055 /nfs/dbraw/zinc/29/50/55/978295055.db2.gz VPJIGOQXMJFKRP-UHFFFAOYSA-N -3 3 365.367 0.097 20 50 FCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CC(C)C ZINC000737719290 978439004 /nfs/dbraw/zinc/43/90/04/978439004.db2.gz XJDWSHGLUFYIGV-UHFFFAOYSA-N -3 3 364.401 0.589 20 50 FCGDHL O=C([O-])N1CCC[C@@H](NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000739453244 978637115 /nfs/dbraw/zinc/63/71/15/978637115.db2.gz DLXWVHCTLYDFRS-SNVBAGLBSA-N -2 3 351.319 0.681 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)cc1F ZINC000768499220 978738469 /nfs/dbraw/zinc/73/84/69/978738469.db2.gz JUOLVDQJAYAXBH-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL Cc1cccc(C(=O)[N-][N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000794600065 978814123 /nfs/dbraw/zinc/81/41/23/978814123.db2.gz WYMINIWWNJGZGF-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000842585561 979320013 /nfs/dbraw/zinc/32/00/13/979320013.db2.gz CKOLETMWPMVKKR-VXNVDRBHSA-N -3 3 362.791 0.773 20 50 FCGDHL CC(C)(C)OC(=O)N1CC(=N[N-]C(=O)c2ncccn2)C[C@@H](C(=O)[O-])C1 ZINC001589908531 988633104 /nfs/dbraw/zinc/63/31/04/988633104.db2.gz BOGIJJHCSTYAIN-SNVBAGLBSA-N -2 3 363.374 0.904 20 50 FCGDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCCS2)c1 ZINC001599280791 996893686 /nfs/dbraw/zinc/89/36/86/996893686.db2.gz JDDFFFKCBCBUEO-LBPRGKRZSA-N -3 3 374.440 0.736 20 50 FCGDHL CO[C@@H]1CCC[C@@H]([C@H](NCC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108176 997517738 /nfs/dbraw/zinc/51/77/38/997517738.db2.gz AYSGIFZVQVFALC-GYSYKLTISA-N -2 3 369.443 0.757 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[n-]c1C ZINC000825565318 609333633 /nfs/dbraw/zinc/33/36/33/609333633.db2.gz RAQJRNPMICLXBZ-UHFFFAOYSA-N -2 3 357.334 0.227 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[n-]c1C ZINC000825565318 609333635 /nfs/dbraw/zinc/33/36/35/609333635.db2.gz RAQJRNPMICLXBZ-UHFFFAOYSA-N -2 3 357.334 0.227 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cc(-c3nnn[n-]3)cs2)[n-]c1C ZINC000825565590 609396799 /nfs/dbraw/zinc/39/67/99/609396799.db2.gz WCCPYLFRZZIGOX-UHFFFAOYSA-N -2 3 374.386 0.960 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cc(-c3nn[n-]n3)cs2)[n-]c1C ZINC000825565590 609396802 /nfs/dbraw/zinc/39/68/02/609396802.db2.gz WCCPYLFRZZIGOX-UHFFFAOYSA-N -2 3 374.386 0.960 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccc[nH]1 ZINC000826445297 609526548 /nfs/dbraw/zinc/52/65/48/609526548.db2.gz OITZHNBVTFPJBU-UHFFFAOYSA-N -2 3 367.778 0.472 20 50 FCGDHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737722424 945116354 /nfs/dbraw/zinc/11/63/54/945116354.db2.gz JFARSCTYCPUDQR-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737722424 945116357 /nfs/dbraw/zinc/11/63/57/945116357.db2.gz JFARSCTYCPUDQR-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL O=C(COCc1ccccc1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737915794 945150587 /nfs/dbraw/zinc/15/05/87/945150587.db2.gz HZWNUVSZVKSDMJ-UHFFFAOYSA-N -2 3 353.342 0.240 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738135819 945227318 /nfs/dbraw/zinc/22/73/18/945227318.db2.gz BWKUETIBXGAMEN-UHFFFAOYSA-N -2 3 367.325 0.108 20 50 FCGDHL O=C(NNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136905 945238290 /nfs/dbraw/zinc/23/82/90/945238290.db2.gz PCNJAZMFPUKGDV-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL COc1cc(Cl)ccc1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737047344 944939724 /nfs/dbraw/zinc/93/97/24/944939724.db2.gz MKFJLKCPEXOPCA-UHFFFAOYSA-N -2 3 373.760 0.999 20 50 FCGDHL Cc1[nH]nc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737201064 944983398 /nfs/dbraw/zinc/98/33/98/944983398.db2.gz AYBVMLAUBMUMAU-UHFFFAOYSA-N -2 3 356.346 0.047 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)o1 ZINC000822226411 946006588 /nfs/dbraw/zinc/00/65/88/946006588.db2.gz RCQLIPQDYKYUCR-JTQLQIEISA-N -2 3 356.342 0.997 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)o1 ZINC000822226411 946006595 /nfs/dbraw/zinc/00/65/95/946006595.db2.gz RCQLIPQDYKYUCR-JTQLQIEISA-N -2 3 356.342 0.997 20 50 FCGDHL Cn1cc(-c2nnn[n-]2)cc1C(=O)NN=c1[n-]c(-c2ccncc2)no1 ZINC000822645630 946144618 /nfs/dbraw/zinc/14/46/18/946144618.db2.gz IFSMNWRNSZZOEB-UHFFFAOYSA-N -2 3 352.318 0.407 20 50 FCGDHL Cn1cc(-c2nn[n-]n2)cc1C(=O)NN=c1[n-]c(-c2ccncc2)no1 ZINC000822645630 946144620 /nfs/dbraw/zinc/14/46/20/946144620.db2.gz IFSMNWRNSZZOEB-UHFFFAOYSA-N -2 3 352.318 0.407 20 50 FCGDHL O=C([N-]NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823277445 946401356 /nfs/dbraw/zinc/40/13/56/946401356.db2.gz NCGBZHXKOKUNFQ-UHFFFAOYSA-N -2 3 359.327 0.911 20 50 FCGDHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[N-]C(=O)c1ccccn1 ZINC001575187342 952440129 /nfs/dbraw/zinc/44/01/29/952440129.db2.gz BOPLSJRDUWQDSA-NSHDSACASA-N -2 3 351.370 0.902 20 50 FCGDHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1ccccn1 ZINC001575187342 952440133 /nfs/dbraw/zinc/44/01/33/952440133.db2.gz BOPLSJRDUWQDSA-NSHDSACASA-N -2 3 351.370 0.902 20 50 FCGDHL O=C([O-])[C@H]1CC(C(=O)NNC(=O)c2ccccc2[O-])=NN1c1ccccc1 ZINC000740456243 955259404 /nfs/dbraw/zinc/25/94/04/955259404.db2.gz SVQSAAVMEFTIQT-CQSZACIVSA-N -2 3 368.349 0.873 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cc(C(=O)[O-])nn2C)o1 ZINC001573879799 961271104 /nfs/dbraw/zinc/27/11/04/961271104.db2.gz SEUNLZPFVHJIMU-UHFFFAOYSA-N -2 3 363.374 0.628 20 50 FCGDHL O=C([O-])N1CCC[C@H](NC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000739453243 978637075 /nfs/dbraw/zinc/63/70/75/978637075.db2.gz DLXWVHCTLYDFRS-JTQLQIEISA-N -2 3 351.319 0.681 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000777940281 978782071 /nfs/dbraw/zinc/78/20/71/978782071.db2.gz YPBHDDBWBQATBI-UHFFFAOYSA-N -3 3 373.387 0.219 20 50 FCGDHL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[N-]C(=O)c1cn[nH]c1 ZINC001594569738 986382592 /nfs/dbraw/zinc/38/25/92/986382592.db2.gz QWTXKPHRLVVAIH-NSHDSACASA-N -2 3 372.385 0.673 20 50 FCGDHL C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001594644477 986833808 /nfs/dbraw/zinc/83/38/08/986833808.db2.gz NDYSNXNAIHDLEA-SFYZADRCSA-N -3 3 362.791 0.773 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c(OC)c1C(=O)[O-] ZINC000833734191 604861081 /nfs/dbraw/zinc/86/10/81/604861081.db2.gz NDDIBCXRJVQICD-UHFFFAOYSA-N -3 3 358.372 0.512 20 50 FCGDHL N#CC(=Cc1cn(CC(=O)[O-])nn1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378941 608215410 /nfs/dbraw/zinc/21/54/10/608215410.db2.gz FNXPYBPFPNBMNK-WZUFQYTHSA-N -2 3 350.298 0.333 20 50 FCGDHL N#CC(=Cc1cn(CC(=O)[O-])nn1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378941 608215412 /nfs/dbraw/zinc/21/54/12/608215412.db2.gz FNXPYBPFPNBMNK-WZUFQYTHSA-N -2 3 350.298 0.333 20 50 FCGDHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824304880 609527525 /nfs/dbraw/zinc/52/75/25/609527525.db2.gz HOLVVLAHMJXIJZ-UHFFFAOYSA-N -2 3 359.799 0.421 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737502044 945083925 /nfs/dbraw/zinc/08/39/25/945083925.db2.gz YZSXSTNFGJGYBR-VIFPVBQESA-N -2 3 373.398 0.860 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737502044 945083934 /nfs/dbraw/zinc/08/39/34/945083934.db2.gz YZSXSTNFGJGYBR-VIFPVBQESA-N -2 3 373.398 0.860 20 50 FCGDHL Cn1nc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C1CC1 ZINC000737624158 945104531 /nfs/dbraw/zinc/10/45/31/945104531.db2.gz VDXKKHRKIVWVJV-UHFFFAOYSA-N -2 3 352.358 0.552 20 50 FCGDHL Cn1nc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C1CC1 ZINC000737624158 945104536 /nfs/dbraw/zinc/10/45/36/945104536.db2.gz VDXKKHRKIVWVJV-UHFFFAOYSA-N -2 3 352.358 0.552 20 50 FCGDHL CC(C)CC(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820051586 945339338 /nfs/dbraw/zinc/33/93/38/945339338.db2.gz RBQCCKQZBQHELA-UHFFFAOYSA-N -2 3 369.363 0.131 20 50 FCGDHL Cc1cc(C)cc(OCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737250509 945020654 /nfs/dbraw/zinc/02/06/54/945020654.db2.gz NEIKQCZKDNSTJB-UHFFFAOYSA-N -2 3 367.369 0.719 20 50 FCGDHL Cc1ccc(NCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737362536 945049402 /nfs/dbraw/zinc/04/94/02/945049402.db2.gz SVKLCRPOWUHBPQ-UHFFFAOYSA-N -2 3 352.358 0.443 20 50 FCGDHL CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820859659 945572946 /nfs/dbraw/zinc/57/29/46/945572946.db2.gz GIYVGGIXWFODJS-SSDOTTSWSA-N -2 3 369.363 0.131 20 50 FCGDHL CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820859663 945573107 /nfs/dbraw/zinc/57/31/07/945573107.db2.gz GIYVGGIXWFODJS-ZETCQYMHSA-N -2 3 369.363 0.131 20 50 FCGDHL COc1ccc(NCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821835522 945882752 /nfs/dbraw/zinc/88/27/52/945882752.db2.gz MCSQXFVYYVZHAM-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL O=C([N-]NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823277162 946398228 /nfs/dbraw/zinc/39/82/28/946398228.db2.gz GENCGKFPWIDRCK-UHFFFAOYSA-N -2 3 359.327 0.911 20 50 FCGDHL O=C([O-])CN1CCC[C@H](C(=O)NN=c2ncc(Br)c[n-]2)C1=O ZINC001595084964 951718973 /nfs/dbraw/zinc/71/89/73/951718973.db2.gz ZHRZYTNOJQKTPX-MRVPVSSYSA-N -2 3 372.179 0.005 20 50 FCGDHL CC(C)(C)C(=O)NCCCC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588630993 959609437 /nfs/dbraw/zinc/60/94/37/959609437.db2.gz WQJSWEGMMWGHEZ-UHFFFAOYSA-N -2 3 350.375 0.483 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000739022579 978613179 /nfs/dbraw/zinc/61/31/79/978613179.db2.gz LSRXJLVKMTYDLR-UHFFFAOYSA-N -3 3 360.298 0.020 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCCS2)cc1 ZINC000818052997 978907833 /nfs/dbraw/zinc/90/78/33/978907833.db2.gz NCKXRWXJIVQHLX-LLVKDONJSA-N -3 3 360.413 0.355 20 50 FCGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCO[C@@H]1C ZINC000842592860 979321223 /nfs/dbraw/zinc/32/12/23/979321223.db2.gz PRKUXOMBFVJRTQ-PSASIEDQSA-N -3 3 360.363 0.567 20 50 FCGDHL C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001594644479 986833938 /nfs/dbraw/zinc/83/39/38/986833938.db2.gz NDYSNXNAIHDLEA-YUMQZZPRSA-N -3 3 362.791 0.773 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCO[C@H]2C)c(CC(=O)[O-])c1 ZINC001599616923 994027537 /nfs/dbraw/zinc/02/75/37/994027537.db2.gz GFXOWMXSQCYTAU-CABZTGNLSA-N -3 3 372.399 0.057 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cc(-c2ccccc2)on1 ZINC000826444948 607688939 /nfs/dbraw/zinc/68/89/39/607688939.db2.gz AFBDOYSTTZBVMU-UHFFFAOYSA-N -2 3 364.325 0.925 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cc(-c2ccccc2)on1 ZINC000826444948 607688941 /nfs/dbraw/zinc/68/89/41/607688941.db2.gz AFBDOYSTTZBVMU-UHFFFAOYSA-N -2 3 364.325 0.925 20 50 FCGDHL Cc1cccnc1C(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826307991 607763622 /nfs/dbraw/zinc/76/36/22/607763622.db2.gz DUDJMJWLVRFBKR-UHFFFAOYSA-N -2 3 359.296 0.923 20 50 FCGDHL CC(Cl)(Cl)C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824465670 609252538 /nfs/dbraw/zinc/25/25/38/609252538.db2.gz REZQHXWEYQBLIB-UHFFFAOYSA-N -2 3 359.173 0.587 20 50 FCGDHL Cc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737512576 945086646 /nfs/dbraw/zinc/08/66/46/945086646.db2.gz XRHVEEWVKFMRCD-UHFFFAOYSA-N -2 3 360.765 0.637 20 50 FCGDHL Cc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737512576 945086656 /nfs/dbraw/zinc/08/66/56/945086656.db2.gz XRHVEEWVKFMRCD-UHFFFAOYSA-N -2 3 360.765 0.637 20 50 FCGDHL Cn1ncc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000737624711 945104033 /nfs/dbraw/zinc/10/40/33/945104033.db2.gz ZHOSHULUKHVIFI-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL Cn1ncc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000737624711 945104036 /nfs/dbraw/zinc/10/40/36/945104036.db2.gz ZHOSHULUKHVIFI-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737960426 945166685 /nfs/dbraw/zinc/16/66/85/945166685.db2.gz GUNAIUJTKKTVCA-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737960426 945166689 /nfs/dbraw/zinc/16/66/89/945166689.db2.gz GUNAIUJTKKTVCA-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL CNC(=O)N[N-]C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736879585 944906106 /nfs/dbraw/zinc/90/61/06/944906106.db2.gz VJMJAIYJTSDQPP-UHFFFAOYSA-N -2 3 357.330 0.613 20 50 FCGDHL CNC(=O)N[N-]C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736879585 944906115 /nfs/dbraw/zinc/90/61/15/944906115.db2.gz VJMJAIYJTSDQPP-UHFFFAOYSA-N -2 3 357.330 0.613 20 50 FCGDHL COc1ccccc1NCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737152901 944970510 /nfs/dbraw/zinc/97/05/10/944970510.db2.gz UOGJADGCUIWCTO-UHFFFAOYSA-N -2 3 368.357 0.143 20 50 FCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)CCC(C)C ZINC000737301993 945034463 /nfs/dbraw/zinc/03/44/63/945034463.db2.gz ZVDUDHHTOZNDMH-UHFFFAOYSA-N -2 3 352.420 0.921 20 50 FCGDHL O=C([N-]NC(=O)[C@@H]1Cc2ccccc2O1)c1cc(-c2nn[n-]n2)cs1 ZINC000823273490 946381333 /nfs/dbraw/zinc/38/13/33/946381333.db2.gz PDUFTGPPEYQIMS-NSHDSACASA-N -2 3 356.367 0.693 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)NCCC(=O)[O-])c1 ZINC000818576627 955403986 /nfs/dbraw/zinc/40/39/86/955403986.db2.gz WHSFHRZPVMRZOJ-UHFFFAOYSA-N -2 3 360.164 0.876 20 50 FCGDHL N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605576612 973849163 /nfs/dbraw/zinc/84/91/63/973849163.db2.gz PMZYHIBYCJRKRE-SVTZGKHISA-N -2 3 350.352 0.009 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)ccc1F ZINC000728856512 978295177 /nfs/dbraw/zinc/29/51/77/978295177.db2.gz SYGUXUMSRXYOKM-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)c1 ZINC000737652456 978426755 /nfs/dbraw/zinc/42/67/55/978426755.db2.gz BOBPWRPSIXDQOM-UHFFFAOYSA-N -3 3 372.399 0.917 20 50 FCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C ZINC000737687596 978430751 /nfs/dbraw/zinc/43/07/51/978430751.db2.gz DHRFSHALCLMFGA-UHFFFAOYSA-N -3 3 372.399 0.917 20 50 FCGDHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000751556006 978692580 /nfs/dbraw/zinc/69/25/80/978692580.db2.gz UCKVGRLUQXWBET-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL Cc1cccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000794599782 978813968 /nfs/dbraw/zinc/81/39/68/978813968.db2.gz NEKWKLPEBDMFTM-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL Cc1cccc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000794601088 978814149 /nfs/dbraw/zinc/81/41/49/978814149.db2.gz OLGLTKUPPYAWQJ-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594865732 982170033 /nfs/dbraw/zinc/17/00/33/982170033.db2.gz JQRUPUDNTWCYIL-MRVPVSSYSA-N -3 3 358.372 0.527 20 50 FCGDHL CO[C@@H]1CCC[C@H]([C@@H](NCC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108180 997517333 /nfs/dbraw/zinc/51/73/33/997517333.db2.gz AYSGIFZVQVFALC-MISXGVKJSA-N -2 3 369.443 0.757 20 50 FCGDHL O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)CCCc2cccs2)cn1 ZINC000833275491 600683622 /nfs/dbraw/zinc/68/36/22/600683622.db2.gz ZMPLULHFGDZJHO-UHFFFAOYSA-N -3 3 372.428 0.362 20 50 FCGDHL O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2ccccc2Br)nn1 ZINC000833121582 601273001 /nfs/dbraw/zinc/27/30/01/601273001.db2.gz XCVBJWUBYMGVFM-UHFFFAOYSA-N -2 3 368.147 0.200 20 50 FCGDHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)c1ccc(C)o1 ZINC000831939379 601785589 /nfs/dbraw/zinc/78/55/89/601785589.db2.gz KRMKTQPXECLKKU-UHFFFAOYSA-N -3 3 360.369 0.980 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831696774 601829038 /nfs/dbraw/zinc/82/90/38/601829038.db2.gz MDMGYVMIZPBRMW-UHFFFAOYSA-N -3 3 365.795 0.567 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cc(-c3nnn[n-]3)cn2C)[n-]c1C ZINC000825565498 609333659 /nfs/dbraw/zinc/33/36/59/609333659.db2.gz SYZDWQFYJPECKG-UHFFFAOYSA-N -2 3 371.361 0.237 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2cc(-c3nn[n-]n3)cn2C)[n-]c1C ZINC000825565498 609333661 /nfs/dbraw/zinc/33/36/61/609333661.db2.gz SYZDWQFYJPECKG-UHFFFAOYSA-N -2 3 371.361 0.237 20 50 FCGDHL O=C([N-]NC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738134397 945219659 /nfs/dbraw/zinc/21/96/59/945219659.db2.gz LMCIWVFTOOMSBC-UHFFFAOYSA-N -2 3 360.337 0.885 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1n[nH]c2c1CCCC2 ZINC000738136882 945237699 /nfs/dbraw/zinc/23/76/99/945237699.db2.gz OEULCSODGIMCNA-UHFFFAOYSA-N -2 3 352.358 0.543 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1n[nH]c2c1CCCC2 ZINC000738136882 945237709 /nfs/dbraw/zinc/23/77/09/945237709.db2.gz OEULCSODGIMCNA-UHFFFAOYSA-N -2 3 352.358 0.543 20 50 FCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000735921389 944714506 /nfs/dbraw/zinc/71/45/06/944714506.db2.gz RHVOXTSBJAJHDO-UHFFFAOYSA-N -2 3 371.357 0.818 20 50 FCGDHL COc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737142761 944968312 /nfs/dbraw/zinc/96/83/12/944968312.db2.gz ZFDQUCMEZYGAMP-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737142761 944968318 /nfs/dbraw/zinc/96/83/18/944968318.db2.gz ZFDQUCMEZYGAMP-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1ccccc1NCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821904520 945903002 /nfs/dbraw/zinc/90/30/02/945903002.db2.gz WWEHNKWUEOUUTC-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822462374 946098287 /nfs/dbraw/zinc/09/82/87/946098287.db2.gz IJHRRSGVYYZTEE-UHFFFAOYSA-N -2 3 368.382 0.959 20 50 FCGDHL N#Cc1ccc(OCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822833376 946198635 /nfs/dbraw/zinc/19/86/35/946198635.db2.gz PDLMSHOVKZYTPT-UHFFFAOYSA-N -2 3 369.366 0.640 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823277286 946400407 /nfs/dbraw/zinc/40/04/07/946400407.db2.gz IZNACBYGBOHFCD-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823277286 946400412 /nfs/dbraw/zinc/40/04/12/946400412.db2.gz IZNACBYGBOHFCD-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([O-])c1ccc[nH]c1=N[N-]C(=O)c1c[nH]nc1I ZINC001595262137 949679001 /nfs/dbraw/zinc/67/90/01/949679001.db2.gz ROVVUHFQKJAZPB-UHFFFAOYSA-N -2 3 373.110 0.864 20 50 FCGDHL Cn1c(CC(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)nc2ccccc21 ZINC001594517767 955429614 /nfs/dbraw/zinc/42/96/14/955429614.db2.gz GRTIUEZXACITRE-UHFFFAOYSA-N -2 3 353.338 0.670 20 50 FCGDHL Cn1nc(C(=O)[O-])cc1C(=O)N[N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC001594568030 955854102 /nfs/dbraw/zinc/85/41/02/955854102.db2.gz GLFJBTLXARIZRA-UHFFFAOYSA-N -2 3 354.326 0.379 20 50 FCGDHL CCC(CC)NC(=O)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736898781 978364975 /nfs/dbraw/zinc/36/49/75/978364975.db2.gz BNLYSTPVIHSXOR-UHFFFAOYSA-N -2 3 366.330 0.359 20 50 FCGDHL Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCO[C@@H]2C)cc1C(=O)[O-] ZINC000842592100 979321318 /nfs/dbraw/zinc/32/13/18/979321318.db2.gz IRSGNALZVQZQQE-BDAKNGLRSA-N -3 3 360.363 0.567 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1 ZINC000915044876 982662689 /nfs/dbraw/zinc/66/26/89/982662689.db2.gz CMMDZEFFTCKMAX-UHFFFAOYSA-N -3 3 351.340 0.168 20 50 FCGDHL CCOc1c(Cl)cc(NC(=O)C(=O)[N-]NC(=O)C(=O)[O-])cc1Cl ZINC001596986986 986258641 /nfs/dbraw/zinc/25/86/41/986258641.db2.gz HTRYNKFRQYVBQP-UHFFFAOYSA-N -2 3 364.141 0.563 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001590150533 989450879 /nfs/dbraw/zinc/45/08/79/989450879.db2.gz OGAVHNPQBXAECQ-UHFFFAOYSA-N -2 3 355.322 0.810 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCO[C@@H]2C)c(CC(=O)[O-])c1 ZINC001599616933 994027254 /nfs/dbraw/zinc/02/72/54/994027254.db2.gz GFXOWMXSQCYTAU-SKDRFNHKSA-N -3 3 372.399 0.057 20 50 FCGDHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)NC(C)C ZINC001599330220 997734922 /nfs/dbraw/zinc/73/49/22/997734922.db2.gz PRZZBUOLQTUYFX-UHFFFAOYSA-N -3 3 365.795 0.948 20 50 FCGDHL Cn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c(C(F)F)n1 ZINC000826359025 607861990 /nfs/dbraw/zinc/86/19/90/607861990.db2.gz SFJPAQSDFXIPHL-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL Cn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c(C(F)F)n1 ZINC000826359025 607861991 /nfs/dbraw/zinc/86/19/91/607861991.db2.gz SFJPAQSDFXIPHL-UHFFFAOYSA-N -2 3 362.300 0.613 20 50 FCGDHL C=CCOc1cccnc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823931601 608545111 /nfs/dbraw/zinc/54/51/11/608545111.db2.gz AMHBLBYZVPPNSE-UHFFFAOYSA-N -2 3 365.353 0.901 20 50 FCGDHL C=CCOc1cccnc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823931601 608545112 /nfs/dbraw/zinc/54/51/12/608545112.db2.gz AMHBLBYZVPPNSE-UHFFFAOYSA-N -2 3 365.353 0.901 20 50 FCGDHL CCNC(=O)N(C)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825471242 609165606 /nfs/dbraw/zinc/16/56/06/609165606.db2.gz PUZXORXDZYMTMT-UHFFFAOYSA-N -2 3 369.389 0.667 20 50 FCGDHL CCNC(=O)N(C)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825471242 609165608 /nfs/dbraw/zinc/16/56/08/609165608.db2.gz PUZXORXDZYMTMT-UHFFFAOYSA-N -2 3 369.389 0.667 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nnn[n-]3)s2)[n-]c1C ZINC000825564706 609396941 /nfs/dbraw/zinc/39/69/41/609396941.db2.gz DDNJDUULTQPXRQ-UHFFFAOYSA-N -2 3 374.386 0.960 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nn[n-]n3)s2)[n-]c1C ZINC000825564706 609396943 /nfs/dbraw/zinc/39/69/43/609396943.db2.gz DDNJDUULTQPXRQ-UHFFFAOYSA-N -2 3 374.386 0.960 20 50 FCGDHL O=C(NN=c1[n-]c(-c2cccnc2)no1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738137063 945239043 /nfs/dbraw/zinc/23/90/43/945239043.db2.gz MHBMUSPOXUUCFM-UHFFFAOYSA-N -2 3 350.302 0.464 20 50 FCGDHL O=C(NN=c1[n-]c(-c2cccnc2)no1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738137063 945239049 /nfs/dbraw/zinc/23/90/49/945239049.db2.gz MHBMUSPOXUUCFM-UHFFFAOYSA-N -2 3 350.302 0.464 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)N[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000819826023 945296159 /nfs/dbraw/zinc/29/61/59/945296159.db2.gz CWXBCNSUYYFHIG-UHFFFAOYSA-N -2 3 372.370 0.356 20 50 FCGDHL O=C(COc1ccc(F)cc1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823040625 946288947 /nfs/dbraw/zinc/28/89/47/946288947.db2.gz PFWIDBCUFLNSKK-UHFFFAOYSA-N -2 3 362.346 0.907 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCO2)c1cc(-c2nn[n-]n2)cs1 ZINC000823277260 946398820 /nfs/dbraw/zinc/39/88/20/946398820.db2.gz IIUJVJAXDPVVPZ-UHFFFAOYSA-N -2 3 358.339 0.732 20 50 FCGDHL CC(=O)Nc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000823999841 946538584 /nfs/dbraw/zinc/53/85/84/946538584.db2.gz JESFOCICJIVSOV-UHFFFAOYSA-N -2 3 366.341 0.295 20 50 FCGDHL CC(=O)Nc1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823999841 946538593 /nfs/dbraw/zinc/53/85/93/946538593.db2.gz JESFOCICJIVSOV-UHFFFAOYSA-N -2 3 366.341 0.295 20 50 FCGDHL O=C([O-])[C@@H]1CC(C(=O)NNC(=O)c2ccccc2[O-])=NN1c1ccccc1 ZINC000740456242 955259323 /nfs/dbraw/zinc/25/93/23/955259323.db2.gz SVQSAAVMEFTIQT-AWEZNQCLSA-N -2 3 368.349 0.873 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)CCNC(=O)[O-])c1 ZINC000737917878 978457713 /nfs/dbraw/zinc/45/77/13/978457713.db2.gz QGGODMTYFRSLDK-UHFFFAOYSA-N -2 3 360.164 0.876 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000743261279 978677653 /nfs/dbraw/zinc/67/76/53/978677653.db2.gz LUENBKVANULFBE-UHFFFAOYSA-N -3 3 358.763 0.395 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)cc1 ZINC000748214087 978687291 /nfs/dbraw/zinc/68/72/91/978687291.db2.gz PQVJVNVNKHANPY-UHFFFAOYSA-N -3 3 368.367 0.685 20 50 FCGDHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000751551232 978692474 /nfs/dbraw/zinc/69/24/74/978692474.db2.gz VAUCCKYCDOZQDV-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000753084773 978693599 /nfs/dbraw/zinc/69/35/99/978693599.db2.gz IYLBERBNYBPYHP-UHFFFAOYSA-N -3 3 354.340 0.675 20 50 FCGDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC000793392683 978806054 /nfs/dbraw/zinc/80/60/54/978806054.db2.gz TUGYRLZEWFPKDB-UHFFFAOYSA-N -3 3 367.358 0.780 20 50 FCGDHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000832912210 979054700 /nfs/dbraw/zinc/05/47/00/979054700.db2.gz XRXFTLBSKCNNLS-UHFFFAOYSA-N -3 3 369.311 0.818 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)c(CC(=O)[O-])c1 ZINC001599617462 994035093 /nfs/dbraw/zinc/03/50/93/994035093.db2.gz WOJQIRYUOILVNF-UHFFFAOYSA-N -3 3 368.367 0.847 20 50 FCGDHL COc1ccc(CNC(=O)N[N-]C(=O)c2ccc(C)o2)cc1-c1nnn[n-]1 ZINC000826200390 607576461 /nfs/dbraw/zinc/57/64/61/607576461.db2.gz NBVISAZJVHFGST-UHFFFAOYSA-N -2 3 371.357 0.921 20 50 FCGDHL COc1ccc(CNC(=O)N[N-]C(=O)c2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000826200390 607576463 /nfs/dbraw/zinc/57/64/63/607576463.db2.gz NBVISAZJVHFGST-UHFFFAOYSA-N -2 3 371.357 0.921 20 50 FCGDHL CC(=NNC(=O)NCC(=O)[O-])c1ccc([O-])c(CN2CCOCC2)c1 ZINC000833384264 605586415 /nfs/dbraw/zinc/58/64/15/605586415.db2.gz GCLJRGGIJHNFPU-UHFFFAOYSA-N -2 3 350.375 0.332 20 50 FCGDHL CN([N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(N)=O ZINC000826004200 609394899 /nfs/dbraw/zinc/39/48/99/609394899.db2.gz NFSCYDRRQRZHGH-UHFFFAOYSA-N -2 3 357.330 0.694 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)NC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259816 609545896 /nfs/dbraw/zinc/54/58/96/609545896.db2.gz HVDQLBMCUOYQOM-UHFFFAOYSA-N -2 3 369.389 0.713 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)NC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259816 609545899 /nfs/dbraw/zinc/54/58/99/609545899.db2.gz HVDQLBMCUOYQOM-UHFFFAOYSA-N -2 3 369.389 0.713 20 50 FCGDHL O=C(COCc1ccccc1)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000737917379 945150151 /nfs/dbraw/zinc/15/01/51/945150151.db2.gz WULHFLBHFFQAAV-UHFFFAOYSA-N -2 3 358.383 0.906 20 50 FCGDHL O=C(Cc1c[nH]c2ccccc12)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737954964 945167028 /nfs/dbraw/zinc/16/70/28/945167028.db2.gz UNQKLAILTQUDFQ-UHFFFAOYSA-N -2 3 362.353 0.747 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738135874 945228052 /nfs/dbraw/zinc/22/80/52/945228052.db2.gz CRNQHQUAWCFMBB-UHFFFAOYSA-N -2 3 353.298 0.065 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1c([O-])cc(F)cc1F ZINC000738136185 945231430 /nfs/dbraw/zinc/23/14/30/945231430.db2.gz GXMHGUZMAYCALW-UHFFFAOYSA-N -3 3 360.280 0.925 20 50 FCGDHL CCc1ccccc1OCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736701423 944874219 /nfs/dbraw/zinc/87/42/19/944874219.db2.gz CGJIWLHNKWSXHL-UHFFFAOYSA-N -2 3 367.369 0.664 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)c1ccccc1O ZINC000737223708 945012932 /nfs/dbraw/zinc/01/29/32/945012932.db2.gz CLIWZIQRJIZNNQ-UHFFFAOYSA-N -2 3 374.382 0.504 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)c1cccn1C ZINC000737225921 945016175 /nfs/dbraw/zinc/01/61/75/945016175.db2.gz VRORIGRZUOSFAP-UHFFFAOYSA-N -2 3 361.387 0.137 20 50 FCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)c1cccn1C ZINC000737301159 945034786 /nfs/dbraw/zinc/03/47/86/945034786.db2.gz JSXZRWBUMBNSBG-UHFFFAOYSA-N -2 3 361.387 0.137 20 50 FCGDHL O=C([O-])c1ccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000823037530 946288586 /nfs/dbraw/zinc/28/85/86/946288586.db2.gz ZDAGEGJWIBVSOA-UHFFFAOYSA-N -2 3 355.314 0.422 20 50 FCGDHL O=C(Cc1ccncc1)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823114813 946318018 /nfs/dbraw/zinc/31/80/18/946318018.db2.gz GGICFODIXWRMQE-UHFFFAOYSA-N -2 3 359.296 0.544 20 50 FCGDHL O=C([N-]NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273203 946377189 /nfs/dbraw/zinc/37/71/89/946377189.db2.gz HXEJKRGBDNQBFK-JTQLQIEISA-N -2 3 372.366 0.529 20 50 FCGDHL O=C([N-]NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)Oc1ccccc1 ZINC000823273643 946385845 /nfs/dbraw/zinc/38/58/45/946385845.db2.gz STNNHKOFDPSXGM-UHFFFAOYSA-N -2 3 363.284 0.628 20 50 FCGDHL O=C([N-]NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)Oc1ccccc1 ZINC000823273643 946385857 /nfs/dbraw/zinc/38/58/57/946385857.db2.gz STNNHKOFDPSXGM-UHFFFAOYSA-N -2 3 363.284 0.628 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1csc(NC2CC2)n1 ZINC000823277093 946395238 /nfs/dbraw/zinc/39/52/38/946395238.db2.gz DVADPHBUOGNAGC-UHFFFAOYSA-N -2 3 370.398 0.972 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1csc(NC2CC2)n1 ZINC000823277093 946395247 /nfs/dbraw/zinc/39/52/47/946395247.db2.gz DVADPHBUOGNAGC-UHFFFAOYSA-N -2 3 370.398 0.972 20 50 FCGDHL CC(C)(C(=O)N[N-]C(=O)c1cnsn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573783206 949145272 /nfs/dbraw/zinc/14/52/72/949145272.db2.gz YBOGTPYRIKJEDR-UHFFFAOYSA-N -2 3 358.387 0.457 20 50 FCGDHL CC(C)(C(=O)N[N-]C(=O)c1cnsn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573783206 949145283 /nfs/dbraw/zinc/14/52/83/949145283.db2.gz YBOGTPYRIKJEDR-UHFFFAOYSA-N -2 3 358.387 0.457 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@]2(C(=O)[O-])CCCO2)o1 ZINC001589726420 950469133 /nfs/dbraw/zinc/46/91/33/950469133.db2.gz XARITRGOZPRJKD-MRXNPFEDSA-N -2 3 353.375 0.516 20 50 FCGDHL O=C([O-])C1=NO[C@@H](C(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1 ZINC001594888827 954494659 /nfs/dbraw/zinc/49/46/59/954494659.db2.gz GWEHQPSDCHWQTC-SECBINFHSA-N -2 3 374.122 0.579 20 50 FCGDHL O=C([O-])CN1CCCC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2F)C1=O ZINC001606254885 973580742 /nfs/dbraw/zinc/58/07/42/973580742.db2.gz AEMVDIBVPMKINZ-GFCCVEGCSA-N -2 3 366.349 0.235 20 50 FCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)C(C)(C)C)c(C(=O)[O-])s1 ZINC000737680415 978429992 /nfs/dbraw/zinc/42/99/92/978429992.db2.gz IWMKBSAIZHIDAN-UHFFFAOYSA-N -3 3 364.401 0.589 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)cc1Cl ZINC000743256365 978677698 /nfs/dbraw/zinc/67/76/98/978677698.db2.gz AVHCVZBYPKUYCU-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cccc(C)n1 ZINC000794599685 978814096 /nfs/dbraw/zinc/81/40/96/978814096.db2.gz KPBCJFOBQAPKGH-UHFFFAOYSA-N -3 3 365.367 0.720 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000842593506 979322321 /nfs/dbraw/zinc/32/23/21/979322321.db2.gz VPAOCKXMIUFGAQ-WCBMZHEXSA-N -3 3 358.372 0.128 20 50 FCGDHL C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001594644475 986833971 /nfs/dbraw/zinc/83/39/71/986833971.db2.gz NDYSNXNAIHDLEA-HTQZYQBOSA-N -3 3 362.791 0.773 20 50 FCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Br)cc1C(=O)[O-] ZINC001594712259 987174082 /nfs/dbraw/zinc/17/40/82/987174082.db2.gz DKWKAQRGYXZAOL-UHFFFAOYSA-N -3 3 351.178 0.867 20 50 FCGDHL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001590247215 989638878 /nfs/dbraw/zinc/63/88/78/989638878.db2.gz YHJPHNYZFVYISX-QMMMGPOBSA-N -2 3 359.770 0.941 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccoc1 ZINC000823281027 606866856 /nfs/dbraw/zinc/86/68/56/606866856.db2.gz LZSOQIGIXAGNDR-UHFFFAOYSA-N -2 3 370.297 0.361 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823277633 606903356 /nfs/dbraw/zinc/90/33/56/606903356.db2.gz SSNSWOLJFJPXQF-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823277633 606903358 /nfs/dbraw/zinc/90/33/58/606903358.db2.gz SSNSWOLJFJPXQF-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826331693 609224262 /nfs/dbraw/zinc/22/42/62/609224262.db2.gz UMEHTGSKVNFJHG-JTQLQIEISA-N -2 3 359.371 0.126 20 50 FCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737499953 945083327 /nfs/dbraw/zinc/08/33/27/945083327.db2.gz MMLMJTVWIOJING-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL O=C(COc1ccccc1F)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737929487 945156948 /nfs/dbraw/zinc/15/69/48/945156948.db2.gz JMGWKOIDGVCKIK-UHFFFAOYSA-N -2 3 357.305 0.241 20 50 FCGDHL CCc1n[nH]c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736665519 944864410 /nfs/dbraw/zinc/86/44/10/944864410.db2.gz FIQMCZNKXWSEQT-UHFFFAOYSA-N -2 3 371.317 0.135 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)CC(C)(C)C ZINC000737223751 945015968 /nfs/dbraw/zinc/01/59/68/945015968.db2.gz FHORLKUIDKPLAR-UHFFFAOYSA-N -2 3 352.420 0.921 20 50 FCGDHL O=C([O-])COCC(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC001602078214 971144111 /nfs/dbraw/zinc/14/41/11/971144111.db2.gz KHKNWTVDNQFXTK-UHFFFAOYSA-N -2 3 365.567 0.965 20 50 FCGDHL COc1ccccc1OCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821903479 945900090 /nfs/dbraw/zinc/90/00/90/945900090.db2.gz HANHCVXXAPKLSC-UHFFFAOYSA-N -2 3 374.382 0.777 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)n[nH]1 ZINC000822176345 945968641 /nfs/dbraw/zinc/96/86/41/945968641.db2.gz KBFYOCCZLVVIQE-UHFFFAOYSA-N -2 3 372.393 0.921 20 50 FCGDHL O=C(COc1ccccc1F)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823055184 946299200 /nfs/dbraw/zinc/29/92/00/946299200.db2.gz KFNLIVLVHBAXAV-UHFFFAOYSA-N -2 3 362.346 0.907 20 50 FCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000821125358 955491638 /nfs/dbraw/zinc/49/16/38/955491638.db2.gz ISXCPSJKEIZWGD-CQSZACIVSA-N -2 3 367.365 0.871 20 50 FCGDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][N-]C(=O)NCc1ccco1 ZINC000738277139 978509987 /nfs/dbraw/zinc/50/99/87/978509987.db2.gz GTDAYYODKLQYGR-UHFFFAOYSA-N -3 3 353.356 0.979 20 50 FCGDHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1 ZINC000739350612 978631867 /nfs/dbraw/zinc/63/18/67/978631867.db2.gz ZTCCVGAHJPWNSM-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL O=C([O-])COc1cccc(CNC(=O)NNC(=O)c2ccccc2[O-])c1 ZINC000739834749 978656238 /nfs/dbraw/zinc/65/62/38/978656238.db2.gz LPRHGCGMDSBQFE-UHFFFAOYSA-N -2 3 359.338 1.000 20 50 FCGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCO[C@H]1C ZINC000842592863 979322628 /nfs/dbraw/zinc/32/26/28/979322628.db2.gz PRKUXOMBFVJRTQ-WPRPVWTQSA-N -3 3 360.363 0.567 20 50 FCGDHL COc1cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)ccc1C(=O)[O-] ZINC001599461509 998280218 /nfs/dbraw/zinc/28/02/18/998280218.db2.gz VIIVSAVWXAWTLE-UHFFFAOYSA-N -3 3 365.367 0.341 20 50 FCGDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NNc2ccc(C(=O)[O-])cn2)c1 ZINC000833737207 604916698 /nfs/dbraw/zinc/91/66/98/604916698.db2.gz DVZKELQJPJDWJO-UHFFFAOYSA-N -2 3 366.355 0.614 20 50 FCGDHL O=C([O-])c1cccc(NNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000833765182 605731740 /nfs/dbraw/zinc/73/17/40/605731740.db2.gz ZPMHBWFASKBHNF-UHFFFAOYSA-N -2 3 374.378 0.567 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000824108698 609397908 /nfs/dbraw/zinc/39/79/08/609397908.db2.gz JCBXKABIBXPBOT-UHFFFAOYSA-N -2 3 367.391 0.214 20 50 FCGDHL Cn1nc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000737624039 945104343 /nfs/dbraw/zinc/10/43/43/945104343.db2.gz UJESMXQKMXSBLZ-UHFFFAOYSA-N -2 3 352.358 0.552 20 50 FCGDHL Cn1nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000737624039 945104352 /nfs/dbraw/zinc/10/43/52/945104352.db2.gz UJESMXQKMXSBLZ-UHFFFAOYSA-N -2 3 352.358 0.552 20 50 FCGDHL O=C([N-]NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738131015 945212460 /nfs/dbraw/zinc/21/24/60/945212460.db2.gz ZGCPRPQBWGZBHU-ZDUSSCGKSA-N -2 3 351.326 0.026 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737410280 945059026 /nfs/dbraw/zinc/05/90/26/945059026.db2.gz GWTNRDVECBEPOA-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737410280 945059035 /nfs/dbraw/zinc/05/90/35/945059035.db2.gz GWTNRDVECBEPOA-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL O=C(Cc1cn2ccccc2n1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823118731 946320353 /nfs/dbraw/zinc/32/03/53/946320353.db2.gz OIUWCBRHBIPDAV-UHFFFAOYSA-N -2 3 368.382 0.580 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823277268 946400479 /nfs/dbraw/zinc/40/04/79/946400479.db2.gz IQVKOHYXRJKZOC-UHFFFAOYSA-N -2 3 354.286 0.245 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000823277268 946400482 /nfs/dbraw/zinc/40/04/82/946400482.db2.gz IQVKOHYXRJKZOC-UHFFFAOYSA-N -2 3 354.286 0.245 20 50 FCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1cccc(F)n1 ZINC000826417274 948258674 /nfs/dbraw/zinc/25/86/74/948258674.db2.gz KPXGFQTVGPUSTC-UHFFFAOYSA-N -2 3 357.305 0.241 20 50 FCGDHL CC(C)(C(=O)N[N-]C(=O)c1cccnn1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573782825 949134524 /nfs/dbraw/zinc/13/45/24/949134524.db2.gz LDUODZXJQJKKNW-UHFFFAOYSA-N -2 3 370.348 0.535 20 50 FCGDHL CC(C)(C(=O)N[N-]C(=O)c1cccnn1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573782825 949134548 /nfs/dbraw/zinc/13/45/48/949134548.db2.gz LDUODZXJQJKKNW-UHFFFAOYSA-N -2 3 370.348 0.535 20 50 FCGDHL O=C([O-])CN1CCCC[C@H](NC(=O)NN=c2cncc(Cl)[n-]2)C1=O ZINC001595094818 951806015 /nfs/dbraw/zinc/80/60/15/951806015.db2.gz WZVGLEMWGJTMLG-QMMMGPOBSA-N -2 3 356.770 0.222 20 50 FCGDHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)cc1C(=O)[O-] ZINC000064939683 957638932 /nfs/dbraw/zinc/63/89/32/957638932.db2.gz SYLNOXIAAMFQCV-UHFFFAOYSA-N -3 3 353.356 0.979 20 50 FCGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC000728856161 978294104 /nfs/dbraw/zinc/29/41/04/978294104.db2.gz IQVNRNAYQIAMTB-UHFFFAOYSA-N -3 3 367.358 0.780 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)cc1C(=O)[O-] ZINC000729664853 978295091 /nfs/dbraw/zinc/29/50/91/978295091.db2.gz XSXVBPICXXHEBK-UHFFFAOYSA-N -3 3 365.367 0.341 20 50 FCGDHL Cc1oc(C)c(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1C(=O)[O-] ZINC000738965658 978611015 /nfs/dbraw/zinc/61/10/15/978611015.db2.gz HHNVXXXMSZTYIM-UHFFFAOYSA-N -3 3 353.356 0.542 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC000739022620 978613106 /nfs/dbraw/zinc/61/31/06/978613106.db2.gz NISHCJYSDBJNID-UHFFFAOYSA-N -3 3 358.763 0.395 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000739023186 978613148 /nfs/dbraw/zinc/61/31/48/978613148.db2.gz QEKJEGFUFZTFTQ-UHFFFAOYSA-N -3 3 358.763 0.395 20 50 FCGDHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC000739348883 978631474 /nfs/dbraw/zinc/63/14/74/978631474.db2.gz FWAMPIKYPPDLCD-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL Cc1cccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000794599747 978813794 /nfs/dbraw/zinc/81/37/94/978813794.db2.gz LSVOPFNMPOXAEK-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)c(CC(=O)[O-])c1 ZINC001599617496 994035500 /nfs/dbraw/zinc/03/55/00/994035500.db2.gz ZFTILGOUFBLFDW-UHFFFAOYSA-N -3 3 357.388 0.225 20 50 FCGDHL COc1cc(NC(=O)C(=O)NN=c2nc(C)cc(C)[n-]2)ccc1C(=O)[O-] ZINC001599430202 997745557 /nfs/dbraw/zinc/74/55/57/997745557.db2.gz PLWRJIWRGWEGOB-UHFFFAOYSA-N -2 3 359.342 0.882 20 50 FCGDHL O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000826447276 607463684 /nfs/dbraw/zinc/46/36/84/607463684.db2.gz XRJMZNHRKNZQKN-UHFFFAOYSA-N -2 3 364.325 0.967 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826303283 607536088 /nfs/dbraw/zinc/53/60/88/607536088.db2.gz IHYHJMLDFFLJNS-UHFFFAOYSA-N -2 3 352.420 0.921 20 50 FCGDHL CC(C)CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1 ZINC000833484821 605599315 /nfs/dbraw/zinc/59/93/15/605599315.db2.gz WTZOFOLZCOSPGR-UHFFFAOYSA-N -3 3 359.404 0.689 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1csc(NC2CC2)n1 ZINC000823277539 607205564 /nfs/dbraw/zinc/20/55/64/607205564.db2.gz PDXUQCDZESSSQF-UHFFFAOYSA-N -2 3 370.398 0.972 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1csc(NC2CC2)n1 ZINC000823277539 607205565 /nfs/dbraw/zinc/20/55/65/607205565.db2.gz PDXUQCDZESSSQF-UHFFFAOYSA-N -2 3 370.398 0.972 20 50 FCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000824342036 608119660 /nfs/dbraw/zinc/11/96/60/608119660.db2.gz JMMLKAVFQWGLAW-UHFFFAOYSA-N -2 3 371.357 0.818 20 50 FCGDHL CCc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825759640 608451486 /nfs/dbraw/zinc/45/14/86/608451486.db2.gz LSEPPRFJRRWLLG-UHFFFAOYSA-N -2 3 374.792 0.891 20 50 FCGDHL CCc1nn(C)c(Cl)c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825759640 608451488 /nfs/dbraw/zinc/45/14/88/608451488.db2.gz LSEPPRFJRRWLLG-UHFFFAOYSA-N -2 3 374.792 0.891 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)C2CCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259907 609155723 /nfs/dbraw/zinc/15/57/23/609155723.db2.gz LYXWYSYEGVJFRG-UHFFFAOYSA-N -2 3 366.385 0.922 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)C2CCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259907 609155724 /nfs/dbraw/zinc/15/57/24/609155724.db2.gz LYXWYSYEGVJFRG-UHFFFAOYSA-N -2 3 366.385 0.922 20 50 FCGDHL O=C(COc1ccc(F)cc1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737919286 945153635 /nfs/dbraw/zinc/15/36/35/945153635.db2.gz HBNDVIBAAVFKTG-UHFFFAOYSA-N -2 3 357.305 0.241 20 50 FCGDHL O=C(COc1ccccc1O)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000737931738 945158078 /nfs/dbraw/zinc/15/80/78/945158078.db2.gz WWRIOWTXTFPQDQ-UHFFFAOYSA-N -2 3 360.355 0.474 20 50 FCGDHL O=C(Cn1cnc2ccccc21)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737987883 945172571 /nfs/dbraw/zinc/17/25/71/945172571.db2.gz AQROSXHSCNBVMS-UHFFFAOYSA-N -2 3 363.341 0.073 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1cncc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134829 945222990 /nfs/dbraw/zinc/22/29/90/945222990.db2.gz USRXPDHCRQSZDM-UHFFFAOYSA-N -2 3 363.334 0.024 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1cncc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134829 945222998 /nfs/dbraw/zinc/22/29/98/945222998.db2.gz USRXPDHCRQSZDM-UHFFFAOYSA-N -2 3 363.334 0.024 20 50 FCGDHL C=CCNc1ncc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000819750328 945279379 /nfs/dbraw/zinc/27/93/79/945279379.db2.gz CXXUKKPHZRBLAY-UHFFFAOYSA-N -2 3 370.398 0.996 20 50 FCGDHL C#Cc1cccc(NC(=S)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735390697 944645556 /nfs/dbraw/zinc/64/55/56/944645556.db2.gz CFFCNWUFEXNTOE-UHFFFAOYSA-N -2 3 364.394 0.874 20 50 FCGDHL C[C@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736178401 944754000 /nfs/dbraw/zinc/75/40/00/944754000.db2.gz XANFMZAZQJYCLR-VIFPVBQESA-N -2 3 371.332 0.629 20 50 FCGDHL C[C@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736192479 944758506 /nfs/dbraw/zinc/75/85/06/944758506.db2.gz ZJMCGANODIZGGM-VIFPVBQESA-N -2 3 371.332 0.629 20 50 FCGDHL COc1ccc(NCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737104831 944960083 /nfs/dbraw/zinc/96/00/83/944960083.db2.gz AEVKREIYZMDXCD-UHFFFAOYSA-N -2 3 368.357 0.143 20 50 FCGDHL COc1ccnc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737156264 944973057 /nfs/dbraw/zinc/97/30/57/944973057.db2.gz RPHRBBCIUOBGIF-UHFFFAOYSA-N -2 3 369.341 0.110 20 50 FCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)c1ccccc1 ZINC000737301373 945034041 /nfs/dbraw/zinc/03/40/41/945034041.db2.gz KZOJNINCZVXEOT-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL COc1ccccc1NCC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821903702 945901233 /nfs/dbraw/zinc/90/12/33/945901233.db2.gz LMEZZOYTXKSEAF-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL COc1ccccc1OCC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821904604 945904564 /nfs/dbraw/zinc/90/45/64/945904564.db2.gz YJBBAAJFECBFRU-UHFFFAOYSA-N -2 3 374.382 0.777 20 50 FCGDHL O=C([O-])CN1CCCC[C@@H](NC(=O)NN=c2cncc(Cl)[n-]2)C1=O ZINC001595094817 951806106 /nfs/dbraw/zinc/80/61/06/951806106.db2.gz WZVGLEMWGJTMLG-MRVPVSSYSA-N -2 3 356.770 0.222 20 50 FCGDHL O=C([O-])[C@@H]1CN(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CCO1 ZINC000819194518 955436856 /nfs/dbraw/zinc/43/68/56/955436856.db2.gz CBYXYISXFVXDQJ-ZDUSSCGKSA-N -2 3 359.342 0.012 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001573357245 958584390 /nfs/dbraw/zinc/58/43/90/958584390.db2.gz YVFQUFKOUOMRJR-YPMHNXCESA-N -2 3 364.358 0.071 20 50 FCGDHL COC(=O)c1cc(NC(=O)N[N-]C(=O)c2cnn(C)c2)cc(C(=O)[O-])c1 ZINC000737660578 978427714 /nfs/dbraw/zinc/42/77/14/978427714.db2.gz BMEGFYJTIGMJMV-UHFFFAOYSA-N -2 3 361.314 0.371 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)ccc1O ZINC000739348515 978631333 /nfs/dbraw/zinc/63/13/33/978631333.db2.gz AHPOFBNUVSCHAF-UHFFFAOYSA-N -3 3 351.340 0.038 20 50 FCGDHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC000749141517 978688399 /nfs/dbraw/zinc/68/83/99/978688399.db2.gz FLKVFUOXQCRJDQ-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000777940754 978782103 /nfs/dbraw/zinc/78/21/03/978782103.db2.gz NXKIJWSOXSXWKL-UHFFFAOYSA-N -3 3 373.387 0.219 20 50 FCGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCO[C@H]1C ZINC000842592862 979322271 /nfs/dbraw/zinc/32/22/71/979322271.db2.gz PRKUXOMBFVJRTQ-WCBMZHEXSA-N -3 3 360.363 0.567 20 50 FCGDHL CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001589991600 988896991 /nfs/dbraw/zinc/89/69/91/988896991.db2.gz JICZAWPCJDFKSA-LLVKDONJSA-N -2 3 364.358 0.550 20 50 FCGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)cc1C(=O)[O-] ZINC000833054131 600807336 /nfs/dbraw/zinc/80/73/36/600807336.db2.gz MRRLPJGDMUGKPK-UHFFFAOYSA-N -3 3 374.378 0.895 20 50 FCGDHL Cc1ncc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826330003 607846528 /nfs/dbraw/zinc/84/65/28/607846528.db2.gz AXMFONNNIYWLIM-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL Cc1ncc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826330003 607846529 /nfs/dbraw/zinc/84/65/29/607846529.db2.gz AXMFONNNIYWLIM-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)C1(O)CCC1 ZINC000826444792 608121032 /nfs/dbraw/zinc/12/10/32/608121032.db2.gz UJVGIYWOPXWXNU-UHFFFAOYSA-N -2 3 352.301 0.178 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)C1(O)CCC1 ZINC000826444792 608121033 /nfs/dbraw/zinc/12/10/33/608121033.db2.gz UJVGIYWOPXWXNU-UHFFFAOYSA-N -2 3 352.301 0.178 20 50 FCGDHL Cc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737432040 945064088 /nfs/dbraw/zinc/06/40/88/945064088.db2.gz QPPSTNZNXZSOPL-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737432040 945064098 /nfs/dbraw/zinc/06/40/98/945064098.db2.gz QPPSTNZNXZSOPL-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737502036 945085317 /nfs/dbraw/zinc/08/53/17/945085317.db2.gz YZSXSTNFGJGYBR-SECBINFHSA-N -2 3 373.398 0.860 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737502036 945085324 /nfs/dbraw/zinc/08/53/24/945085324.db2.gz YZSXSTNFGJGYBR-SECBINFHSA-N -2 3 373.398 0.860 20 50 FCGDHL N#Cc1cccc(C(=O)N[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737722250 945116337 /nfs/dbraw/zinc/11/63/37/945116337.db2.gz GPQKUYAIKGSANB-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL N#Cc1cccc(C(=O)N[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737722250 945116339 /nfs/dbraw/zinc/11/63/39/945116339.db2.gz GPQKUYAIKGSANB-UHFFFAOYSA-N -2 3 369.366 0.362 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134700 945221618 /nfs/dbraw/zinc/22/16/18/945221618.db2.gz RBYQFEWFKYNDOT-UHFFFAOYSA-N -2 3 350.385 0.552 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134700 945221623 /nfs/dbraw/zinc/22/16/23/945221623.db2.gz RBYQFEWFKYNDOT-UHFFFAOYSA-N -2 3 350.385 0.552 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134862 945225037 /nfs/dbraw/zinc/22/50/37/945225037.db2.gz WMNVJTPVERQTBP-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134862 945225043 /nfs/dbraw/zinc/22/50/43/945225043.db2.gz WMNVJTPVERQTBP-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL O=C([N-]NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738137532 945244272 /nfs/dbraw/zinc/24/42/72/945244272.db2.gz URWIFFQGIRLFKY-UHFFFAOYSA-N -2 3 354.286 0.245 20 50 FCGDHL C[C@@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736192478 944758616 /nfs/dbraw/zinc/75/86/16/944758616.db2.gz ZJMCGANODIZGGM-SECBINFHSA-N -2 3 371.332 0.629 20 50 FCGDHL CN(C)c1ccc(NC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821589499 945729458 /nfs/dbraw/zinc/72/94/58/945729458.db2.gz PZFLWLKEPNKKNX-UHFFFAOYSA-N -2 3 367.373 0.794 20 50 FCGDHL COCCCNC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821687710 945813344 /nfs/dbraw/zinc/81/33/44/945813344.db2.gz LCPPTWYUNIKAJU-UHFFFAOYSA-N -2 3 355.305 0.125 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000822176319 945969184 /nfs/dbraw/zinc/96/91/84/945969184.db2.gz JCUOADNYKGQXJH-UHFFFAOYSA-N -2 3 356.342 0.917 20 50 FCGDHL Cn1cc(-c2nnn[n-]2)cc1C(=O)NN=c1[n-]c(-c2cccnc2)no1 ZINC000822645908 946146624 /nfs/dbraw/zinc/14/66/24/946146624.db2.gz WAGSXTAQDLBOSC-UHFFFAOYSA-N -2 3 352.318 0.407 20 50 FCGDHL Cn1cc(-c2nn[n-]n2)cc1C(=O)NN=c1[n-]c(-c2cccnc2)no1 ZINC000822645908 946146632 /nfs/dbraw/zinc/14/66/32/946146632.db2.gz WAGSXTAQDLBOSC-UHFFFAOYSA-N -2 3 352.318 0.407 20 50 FCGDHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NNC(=O)c1ccccc1[O-])O2 ZINC001594751026 953432171 /nfs/dbraw/zinc/43/21/71/953432171.db2.gz YKKVYEIKPHJAPT-GCULGPDHSA-N -2 3 363.370 0.749 20 50 FCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CCC(C)C ZINC000737689430 978430957 /nfs/dbraw/zinc/43/09/57/978430957.db2.gz XRJRYPOOPWLHSG-UHFFFAOYSA-N -3 3 372.399 0.917 20 50 FCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C(C)(C)C ZINC000737716564 978437865 /nfs/dbraw/zinc/43/78/65/978437865.db2.gz BRMMETCWGMWYLL-UHFFFAOYSA-N -3 3 364.401 0.589 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ncccc1C ZINC000751555865 978692740 /nfs/dbraw/zinc/69/27/40/978692740.db2.gz PAJRMIKJSRDOMG-UHFFFAOYSA-N -3 3 365.367 0.720 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccc(C)o1 ZINC000753086428 978693511 /nfs/dbraw/zinc/69/35/11/978693511.db2.gz UFDXUWIXKSLZQP-UHFFFAOYSA-N -3 3 354.340 0.918 20 50 FCGDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cnn(C)c1 ZINC000793396263 978807502 /nfs/dbraw/zinc/80/75/02/978807502.db2.gz XMFXHGSUFJNVJS-UHFFFAOYSA-N -3 3 356.335 0.189 20 50 FCGDHL C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000842585556 979319619 /nfs/dbraw/zinc/31/96/19/979319619.db2.gz CKOLETMWPMVKKR-APPZFPTMSA-N -3 3 362.791 0.773 20 50 FCGDHL Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000842592102 979321003 /nfs/dbraw/zinc/32/10/03/979321003.db2.gz IRSGNALZVQZQQE-IUCAKERBSA-N -3 3 360.363 0.567 20 50 FCGDHL C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000842592398 979321137 /nfs/dbraw/zinc/32/11/37/979321137.db2.gz KXINFPJJQVJUJR-IONNQARKSA-N -3 3 362.791 0.773 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000842593507 979321857 /nfs/dbraw/zinc/32/18/57/979321857.db2.gz VPAOCKXMIUFGAQ-WPRPVWTQSA-N -3 3 358.372 0.128 20 50 FCGDHL CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001589991601 988897335 /nfs/dbraw/zinc/89/73/35/988897335.db2.gz JICZAWPCJDFKSA-NSHDSACASA-N -2 3 364.358 0.550 20 50 FCGDHL Cc1oc(S(=O)(=O)[N-][N-]C(=O)CCc2ccccc2O)cc1C(=O)[O-] ZINC000833027357 601234033 /nfs/dbraw/zinc/23/40/33/601234033.db2.gz REXQHZLTIJMOKJ-UHFFFAOYSA-N -3 3 368.367 0.934 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)c1-c1nn[n-]n1 ZINC000826303728 607532504 /nfs/dbraw/zinc/53/25/04/607532504.db2.gz BRKQMUPFJRABIV-UHFFFAOYSA-N -2 3 374.382 0.504 20 50 FCGDHL O=C([O-])NCCCC(=O)NN=c1[n-]c(Br)cn2ccnc12 ZINC000832609293 604068323 /nfs/dbraw/zinc/06/83/23/604068323.db2.gz UJLUTAQTUBXXFT-UHFFFAOYSA-N -2 3 357.168 0.983 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000825923042 604831715 /nfs/dbraw/zinc/83/17/15/604831715.db2.gz QHMBRPSBIOUQDM-UHFFFAOYSA-N -2 3 372.337 0.578 20 50 FCGDHL O=C([O-])c1ccccc1NNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000833764552 605282585 /nfs/dbraw/zinc/28/25/85/605282585.db2.gz HUVMNYQXBBEFDE-UHFFFAOYSA-N -2 3 374.378 0.567 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826331694 609224176 /nfs/dbraw/zinc/22/41/76/609224176.db2.gz UMEHTGSKVNFJHG-SNVBAGLBSA-N -2 3 359.371 0.126 20 50 FCGDHL Cc1ccn2cc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737436001 945066881 /nfs/dbraw/zinc/06/68/81/945066881.db2.gz JDMWPKHNBWJCFE-UHFFFAOYSA-N -2 3 362.353 0.898 20 50 FCGDHL Cc1ccn2cc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737436001 945066893 /nfs/dbraw/zinc/06/68/93/945066893.db2.gz JDMWPKHNBWJCFE-UHFFFAOYSA-N -2 3 362.353 0.898 20 50 FCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737501882 945084047 /nfs/dbraw/zinc/08/40/47/945084047.db2.gz VUQPOYPKRFTHIO-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL O=C(CCc1ccccc1O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737857476 945140557 /nfs/dbraw/zinc/14/05/57/945140557.db2.gz RAUNEGKKYNSUJC-UHFFFAOYSA-N -2 3 353.342 0.361 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000738135787 945226943 /nfs/dbraw/zinc/22/69/43/945226943.db2.gz BRRREDFDXLFSHA-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000738135787 945226947 /nfs/dbraw/zinc/22/69/47/945226947.db2.gz BRRREDFDXLFSHA-UHFFFAOYSA-N -2 3 371.288 0.989 20 50 FCGDHL C[C@@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736178400 944753989 /nfs/dbraw/zinc/75/39/89/944753989.db2.gz XANFMZAZQJYCLR-SECBINFHSA-N -2 3 371.332 0.629 20 50 FCGDHL COc1ccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c(OC)c1 ZINC000737067928 944941891 /nfs/dbraw/zinc/94/18/91/944941891.db2.gz POTNMOVMYIHUSC-UHFFFAOYSA-N -2 3 369.341 0.354 20 50 FCGDHL COc1ccc(CCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737086570 944955844 /nfs/dbraw/zinc/95/58/44/944955844.db2.gz HPIFBYMVUWTLPH-UHFFFAOYSA-N -2 3 367.369 0.664 20 50 FCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737139565 944967968 /nfs/dbraw/zinc/96/79/68/944967968.db2.gz ZJUGRJQVNMJAEL-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1ccccc1OCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737151019 944969684 /nfs/dbraw/zinc/96/96/84/944969684.db2.gz DSRPHFIZXWGAES-UHFFFAOYSA-N -2 3 369.341 0.110 20 50 FCGDHL COc1ccccc1NC(=S)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737151534 944970678 /nfs/dbraw/zinc/97/06/78/944970678.db2.gz GBQFTNKWXUXWGQ-UHFFFAOYSA-N -2 3 370.398 0.902 20 50 FCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)C1CCCC1 ZINC000737300583 945034163 /nfs/dbraw/zinc/03/41/63/945034163.db2.gz CGYRCDXLRMYXEB-UHFFFAOYSA-N -2 3 350.404 0.675 20 50 FCGDHL Cc1ccc(OCC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000737364111 945048231 /nfs/dbraw/zinc/04/82/31/945048231.db2.gz HYDAYOZKJBASFM-UHFFFAOYSA-N -2 3 367.369 0.719 20 50 FCGDHL O=C([N-]NC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273204 946379345 /nfs/dbraw/zinc/37/93/45/946379345.db2.gz HXEJKRGBDNQBFK-SNVBAGLBSA-N -2 3 372.366 0.529 20 50 FCGDHL O=C([N-]NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273705 946384369 /nfs/dbraw/zinc/38/43/69/946384369.db2.gz UKFMMMIOGLLBQV-SNVBAGLBSA-N -2 3 356.367 0.693 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)o1 ZINC001589726121 950465336 /nfs/dbraw/zinc/46/53/36/950465336.db2.gz PFCPXSURUITNRJ-LBPRGKRZSA-N -2 3 352.347 0.112 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001573357244 958583294 /nfs/dbraw/zinc/58/32/94/958583294.db2.gz YVFQUFKOUOMRJR-WCQYABFASA-N -2 3 364.358 0.071 20 50 FCGDHL O=C([O-])Cn1cccc(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)c1=O ZINC001606355107 973806098 /nfs/dbraw/zinc/80/60/98/973806098.db2.gz GIQGWIGTKBNZRX-UHFFFAOYSA-N -2 3 366.333 0.556 20 50 FCGDHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000736869612 978363446 /nfs/dbraw/zinc/36/34/46/978363446.db2.gz SCHNKPUPSNDCJK-LURJTMIESA-N -3 3 364.401 0.589 20 50 FCGDHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000736869639 978363854 /nfs/dbraw/zinc/36/38/54/978363854.db2.gz SEZBDKHWIVDGLG-LURJTMIESA-N -3 3 364.401 0.589 20 50 FCGDHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000736869616 978363919 /nfs/dbraw/zinc/36/39/19/978363919.db2.gz SCHNKPUPSNDCJK-ZCFIWIBFSA-N -3 3 364.401 0.589 20 50 FCGDHL CCOc1cc(C(=O)N[N-]C(=O)c2cnn(C)c2)ccc1OCC(=O)[O-] ZINC000737185447 978385566 /nfs/dbraw/zinc/38/55/66/978385566.db2.gz SOJLZVMXKZJJAQ-UHFFFAOYSA-N -2 3 362.342 0.357 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000737917793 978457512 /nfs/dbraw/zinc/45/75/12/978457512.db2.gz OVMYWKDOOTWSPM-HTQZYQBOSA-N -2 3 357.160 0.939 20 50 FCGDHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC000739348880 978631394 /nfs/dbraw/zinc/63/13/94/978631394.db2.gz FTBREKCWYBNCOJ-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CCc1ccccc1O ZINC000746055557 978680474 /nfs/dbraw/zinc/68/04/74/978680474.db2.gz TYTHEYIGQSNJAU-UHFFFAOYSA-N -3 3 368.367 0.934 20 50 FCGDHL C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000842592396 979320814 /nfs/dbraw/zinc/32/08/14/979320814.db2.gz KXINFPJJQVJUJR-APPZFPTMSA-N -3 3 362.791 0.773 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCO[C@@H]2C)cc1C(=O)[O-] ZINC000842593504 979322135 /nfs/dbraw/zinc/32/21/35/979322135.db2.gz VPAOCKXMIUFGAQ-PSASIEDQSA-N -3 3 358.372 0.128 20 50 FCGDHL CCCCCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1 ZINC001595722142 982339236 /nfs/dbraw/zinc/33/92/36/982339236.db2.gz VNJOTFNHWZIVGT-UHFFFAOYSA-N -3 3 359.404 0.833 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCO[C@@H]2C)c(CC(=O)[O-])c1 ZINC001599616918 994027723 /nfs/dbraw/zinc/02/77/23/994027723.db2.gz GFXOWMXSQCYTAU-BXKDBHETSA-N -3 3 372.399 0.057 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCCS2)c(CC(=O)[O-])c1 ZINC001599617151 994030464 /nfs/dbraw/zinc/03/04/64/994030464.db2.gz LAGOXHMQPNSHHU-NSHDSACASA-N -3 3 374.440 0.527 20 50 FCGDHL COc1ccc(C(=O)[O-])c(NC(=O)C(=O)NN=c2ccc(Cl)n[n-]2)c1 ZINC001599487710 996881401 /nfs/dbraw/zinc/88/14/01/996881401.db2.gz CYYXPFBZWYXNSY-UHFFFAOYSA-N -2 3 365.733 0.919 20 50 FCGDHL CS(=O)(=O)[N-]c1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826224152 607350369 /nfs/dbraw/zinc/35/03/69/607350369.db2.gz RAPCATCZBAYLQQ-UHFFFAOYSA-N -2 3 373.398 0.995 20 50 FCGDHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829401727 601202812 /nfs/dbraw/zinc/20/28/12/601202812.db2.gz IPBLPXFGGAZCIJ-UHFFFAOYSA-N -3 3 351.406 0.748 20 50 FCGDHL O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)nn1 ZINC000833120714 601272874 /nfs/dbraw/zinc/27/28/74/601272874.db2.gz AJWGACBIRQKITM-UHFFFAOYSA-N -2 3 358.141 0.744 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1 ZINC000831696603 601327895 /nfs/dbraw/zinc/32/78/95/601327895.db2.gz BTBBUSATCZWJMI-VMPITWQZSA-N -3 3 357.388 0.313 20 50 FCGDHL CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)c1cccc(C(=O)[O-])n1 ZINC000833442398 605086986 /nfs/dbraw/zinc/08/69/86/605086986.db2.gz NRYBLOCQNUUXIQ-UHFFFAOYSA-N -2 3 366.374 0.846 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)C1(O)CCC1 ZINC000826444329 608123205 /nfs/dbraw/zinc/12/32/05/608123205.db2.gz BEZZSEWYLLIBCD-UHFFFAOYSA-N -2 3 352.301 0.178 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)C1(O)CCC1 ZINC000826444329 608123206 /nfs/dbraw/zinc/12/32/06/608123206.db2.gz BEZZSEWYLLIBCD-UHFFFAOYSA-N -2 3 352.301 0.178 20 50 FCGDHL Cc1ccccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737431998 945064294 /nfs/dbraw/zinc/06/42/94/945064294.db2.gz PINJGPKNIHYHCB-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1ccccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737431998 945064306 /nfs/dbraw/zinc/06/43/06/945064306.db2.gz PINJGPKNIHYHCB-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL COC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736951700 944916045 /nfs/dbraw/zinc/91/60/45/944916045.db2.gz RRDGNFLGRBGESQ-UHFFFAOYSA-N -2 3 367.325 0.123 20 50 FCGDHL COC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736951700 944916061 /nfs/dbraw/zinc/91/60/61/944916061.db2.gz RRDGNFLGRBGESQ-UHFFFAOYSA-N -2 3 367.325 0.123 20 50 FCGDHL N#Cc1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822823054 946196601 /nfs/dbraw/zinc/19/66/01/946196601.db2.gz JTDLUKOYRNCFTH-UHFFFAOYSA-N -2 3 369.366 0.640 20 50 FCGDHL O=C(Cn1cnc2ccccc21)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823136135 946327119 /nfs/dbraw/zinc/32/71/19/946327119.db2.gz LMFHAZNNBUWQSQ-UHFFFAOYSA-N -2 3 368.382 0.739 20 50 FCGDHL O=C(NCc1ccco1)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823261984 946361515 /nfs/dbraw/zinc/36/15/15/946361515.db2.gz YKOIDHCKTSIXGQ-UHFFFAOYSA-N -2 3 363.284 0.882 20 50 FCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)c2cc(Br)c[nH]2)nc1 ZINC001595220946 949245323 /nfs/dbraw/zinc/24/53/23/949245323.db2.gz QUIVHRWGMJHUNN-UHFFFAOYSA-N -2 3 353.132 0.945 20 50 FCGDHL CO[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC001593911609 955971452 /nfs/dbraw/zinc/97/14/52/955971452.db2.gz OQLRYFALAUBHCD-QMMMGPOBSA-N -2 3 365.567 0.963 20 50 FCGDHL O=C([O-])CC[C@H]1C[C@@H](C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CO1 ZINC001574686086 962610029 /nfs/dbraw/zinc/61/00/29/962610029.db2.gz IVQFXHFDMOVMSF-DOMZBBRYSA-N -2 3 372.381 0.903 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H](OC)C(=O)[O-])c1 ZINC001604756623 973970489 /nfs/dbraw/zinc/97/04/89/973970489.db2.gz YRRCKAHQCDLSLJ-VIFPVBQESA-N -2 3 361.148 0.318 20 50 FCGDHL CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000736283955 978316655 /nfs/dbraw/zinc/31/66/55/978316655.db2.gz UOCFGPOOUDZNGX-UHFFFAOYSA-N -2 3 367.362 0.249 20 50 FCGDHL CCN(CC)Cc1ccc(C(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)o1 ZINC001596275816 983694756 /nfs/dbraw/zinc/69/47/56/983694756.db2.gz OHLRNSWJNYCWCX-UHFFFAOYSA-N -2 3 350.331 0.882 20 50 FCGDHL COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)N(C)C)c1OC ZINC001599399281 997185293 /nfs/dbraw/zinc/18/52/93/997185293.db2.gz MLAFZARXVPQVKA-AATRIKPKSA-N -3 3 373.387 0.266 20 50 FCGDHL O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000826449052 607464031 /nfs/dbraw/zinc/46/40/31/607464031.db2.gz ZHYZZKCOFMAJJJ-UHFFFAOYSA-N -2 3 364.325 0.967 20 50 FCGDHL O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000826449052 607464033 /nfs/dbraw/zinc/46/40/33/607464033.db2.gz ZHYZZKCOFMAJJJ-UHFFFAOYSA-N -2 3 364.325 0.967 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)CC(C)C)c(OC)c1C(=O)[O-] ZINC000833734163 604859392 /nfs/dbraw/zinc/85/93/92/604859392.db2.gz LNZUHNFNEHQERU-UHFFFAOYSA-N -3 3 360.388 0.758 20 50 FCGDHL O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000826449386 607730805 /nfs/dbraw/zinc/73/08/05/607730805.db2.gz PKKUDSTYZSMDOU-UHFFFAOYSA-N -2 3 365.313 0.373 20 50 FCGDHL O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000826449386 607730807 /nfs/dbraw/zinc/73/08/07/607730807.db2.gz PKKUDSTYZSMDOU-UHFFFAOYSA-N -2 3 365.313 0.373 20 50 FCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824109915 609397705 /nfs/dbraw/zinc/39/77/05/609397705.db2.gz YZGVVDJPGGCDAP-UHFFFAOYSA-N -2 3 367.391 0.214 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1noc2c1CCCC2 ZINC000738134800 945222765 /nfs/dbraw/zinc/22/27/65/945222765.db2.gz UANVZPSAFBOXSR-UHFFFAOYSA-N -2 3 353.342 0.808 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1noc2c1CCCC2 ZINC000738134800 945222770 /nfs/dbraw/zinc/22/27/70/945222770.db2.gz UANVZPSAFBOXSR-UHFFFAOYSA-N -2 3 353.342 0.808 20 50 FCGDHL O=C([N-]NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738136339 945234444 /nfs/dbraw/zinc/23/44/44/945234444.db2.gz JXUBBKWCSDRKEK-UHFFFAOYSA-N -2 3 354.286 0.245 20 50 FCGDHL COc1cc(OC)cc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737053084 944939890 /nfs/dbraw/zinc/93/98/90/944939890.db2.gz ZJXADCIRRMRBLJ-UHFFFAOYSA-N -2 3 369.341 0.354 20 50 FCGDHL CCOc1cccnc1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821437248 945694897 /nfs/dbraw/zinc/69/48/97/945694897.db2.gz MIJXJYGPQRUQLO-UHFFFAOYSA-N -2 3 353.342 0.735 20 50 FCGDHL CCOc1cccnc1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821437248 945694903 /nfs/dbraw/zinc/69/49/03/945694903.db2.gz MIJXJYGPQRUQLO-UHFFFAOYSA-N -2 3 353.342 0.735 20 50 FCGDHL O=C(Cc1cccc(-c2nnn[n-]2)c1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000823103825 946308966 /nfs/dbraw/zinc/30/89/66/946308966.db2.gz LXGCMCHLBVNXOG-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL O=C(Cc1cccc(-c2nn[n-]n2)c1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000823103825 946308978 /nfs/dbraw/zinc/30/89/78/946308978.db2.gz LXGCMCHLBVNXOG-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL O=C(COc1ccccc1-c1nnn[n-]1)N[N-]C(=O)c1cccc(F)n1 ZINC000826419195 948262292 /nfs/dbraw/zinc/26/22/92/948262292.db2.gz NBDQIYNCFLYGJI-UHFFFAOYSA-N -2 3 357.305 0.241 20 50 FCGDHL O=C(COc1ccccc1-c1nn[n-]n1)N[N-]C(=O)c1cccc(F)n1 ZINC000826419195 948262302 /nfs/dbraw/zinc/26/23/02/948262302.db2.gz NBDQIYNCFLYGJI-UHFFFAOYSA-N -2 3 357.305 0.241 20 50 FCGDHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[N-]C(=O)c1ccccn1 ZINC001575187340 952439461 /nfs/dbraw/zinc/43/94/61/952439461.db2.gz BOPLSJRDUWQDSA-LLVKDONJSA-N -2 3 351.370 0.902 20 50 FCGDHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1ccccn1 ZINC001575187340 952439464 /nfs/dbraw/zinc/43/94/64/952439464.db2.gz BOPLSJRDUWQDSA-LLVKDONJSA-N -2 3 351.370 0.902 20 50 FCGDHL C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[N-]C(=O)c1ncccn1 ZINC001575191443 952467536 /nfs/dbraw/zinc/46/75/36/952467536.db2.gz WUMQHMBXBISYPS-SNVBAGLBSA-N -2 3 352.358 0.297 20 50 FCGDHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1ncccn1 ZINC001575191443 952467540 /nfs/dbraw/zinc/46/75/40/952467540.db2.gz WUMQHMBXBISYPS-SNVBAGLBSA-N -2 3 352.358 0.297 20 50 FCGDHL O=C([O-])C1=NO[C@H](C(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC001605969913 972972503 /nfs/dbraw/zinc/97/25/03/972972503.db2.gz HAGQBXKQHVZIOQ-VIFPVBQESA-N -2 3 356.132 0.440 20 50 FCGDHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC000739349268 978631511 /nfs/dbraw/zinc/63/15/11/978631511.db2.gz JHABHVWXIFGDHO-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000747596311 978686571 /nfs/dbraw/zinc/68/65/71/978686571.db2.gz LXPCFUIVUKBKQN-UHFFFAOYSA-N -3 3 351.178 0.867 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000751142689 978691025 /nfs/dbraw/zinc/69/10/25/978691025.db2.gz KDJMVXNUKNKDIU-UHFFFAOYSA-N -3 3 360.298 0.020 20 50 FCGDHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000751551573 978692648 /nfs/dbraw/zinc/69/26/48/978692648.db2.gz ZJHOKHSTKNSGDF-UHFFFAOYSA-N -3 3 353.331 0.851 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cccc(C)n2)cc1C(=O)[O-] ZINC000794599896 978813889 /nfs/dbraw/zinc/81/38/89/978813889.db2.gz SWIBEJIHDYBLKF-UHFFFAOYSA-N -3 3 365.367 0.720 20 50 FCGDHL C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001594646182 986842676 /nfs/dbraw/zinc/84/26/76/986842676.db2.gz WWRYLPMRRVYLKI-CPCISQLKSA-N -3 3 362.791 0.773 20 50 FCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Br)cc1CC(=O)[O-] ZINC001594712692 987179393 /nfs/dbraw/zinc/17/93/93/987179393.db2.gz ZEPARRSMWPMQBY-UHFFFAOYSA-N -3 3 365.205 0.796 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCO[C@H]2C)c(CC(=O)[O-])c1 ZINC001599616928 994027403 /nfs/dbraw/zinc/02/74/03/994027403.db2.gz GFXOWMXSQCYTAU-JOYOIKCWSA-N -3 3 372.399 0.057 20 50 FCGDHL C[C@@H](Oc1ccc(NC(=O)N[N-]C(=O)c2cn[nH]c2)cc1F)C(=O)[O-] ZINC001593632092 995918332 /nfs/dbraw/zinc/91/83/32/995918332.db2.gz PUXXOUFNRAUDJT-SSDOTTSWSA-N -2 3 351.294 0.867 20 50 FCGDHL COC(=O)c1sc(S(=O)(=O)[N-][N-]C(=O)C(C)C)c(C(=O)[O-])c1C ZINC001599022683 998993076 /nfs/dbraw/zinc/99/30/76/998993076.db2.gz SPCKPYPFRUTOAQ-UHFFFAOYSA-N -3 3 364.401 0.507 20 50 FCGDHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])o1 ZINC000832913665 601487187 /nfs/dbraw/zinc/48/71/87/601487187.db2.gz LSOXZAVTHHSLJO-UHFFFAOYSA-N -3 3 359.747 0.958 20 50 FCGDHL Cc1cccnc1C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826308270 607683165 /nfs/dbraw/zinc/68/31/65/607683165.db2.gz QXFNYWHPLDISRM-UHFFFAOYSA-N -2 3 359.371 0.193 20 50 FCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823277573 606499753 /nfs/dbraw/zinc/49/97/53/606499753.db2.gz QPMMCYSUTURUBZ-UHFFFAOYSA-N -2 3 372.366 0.774 20 50 FCGDHL Cc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccn12 ZINC000737468233 945075079 /nfs/dbraw/zinc/07/50/79/945075079.db2.gz QJICIENGHGLBAL-UHFFFAOYSA-N -2 3 362.353 0.898 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000738137571 945244814 /nfs/dbraw/zinc/24/48/14/945244814.db2.gz VPTFCQRYXWGGJM-UHFFFAOYSA-N -2 3 359.327 0.911 20 50 FCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])s1 ZINC000738137571 945244823 /nfs/dbraw/zinc/24/48/23/945244823.db2.gz VPTFCQRYXWGGJM-UHFFFAOYSA-N -2 3 359.327 0.911 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737114610 944961379 /nfs/dbraw/zinc/96/13/79/944961379.db2.gz HWAGZFHNSSRDBR-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737114610 944961383 /nfs/dbraw/zinc/96/13/83/944961383.db2.gz HWAGZFHNSSRDBR-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL COc1cccc(NCC(=O)N[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737140124 944968872 /nfs/dbraw/zinc/96/88/72/944968872.db2.gz CZQNBTUNFUJIGC-UHFFFAOYSA-N -2 3 373.398 0.810 20 50 FCGDHL Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822464031 946098042 /nfs/dbraw/zinc/09/80/42/946098042.db2.gz YLTXIQNFIRLYED-UHFFFAOYSA-N -2 3 368.382 0.959 20 50 FCGDHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1cccc(F)n1 ZINC000824737854 946921611 /nfs/dbraw/zinc/92/16/11/946921611.db2.gz KMQOGIWQENUJFM-SECBINFHSA-N -2 3 371.332 0.629 20 50 FCGDHL O=C([N-]NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)Oc1ccccc1 ZINC000826444907 948308146 /nfs/dbraw/zinc/30/81/46/948308146.db2.gz YYUZNWBJERAMCG-UHFFFAOYSA-N -2 3 363.284 0.628 20 50 FCGDHL O=C([N-]NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)Oc1ccccc1 ZINC000826444907 948308150 /nfs/dbraw/zinc/30/81/50/948308150.db2.gz YYUZNWBJERAMCG-UHFFFAOYSA-N -2 3 363.284 0.628 20 50 FCGDHL O=C([O-])CN1CCCC[C@H](NC(=O)NN=c2ccc(Cl)n[n-]2)C1=O ZINC001595093182 951798099 /nfs/dbraw/zinc/79/80/99/951798099.db2.gz GSPTYPNCFMHMGY-QMMMGPOBSA-N -2 3 356.770 0.222 20 50 FCGDHL Cc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000270048346 962775408 /nfs/dbraw/zinc/77/54/08/962775408.db2.gz HDPHKFKLJDFHDM-UHFFFAOYSA-N -3 3 361.351 0.067 20 50 FCGDHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC000729664395 978295288 /nfs/dbraw/zinc/29/52/88/978295288.db2.gz IWDNADQNMFZGTA-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c(Cl)c1 ZINC000739349998 978631914 /nfs/dbraw/zinc/63/19/14/978631914.db2.gz RFNLHWKTAOGPBF-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c[nH]1 ZINC000751261064 978691712 /nfs/dbraw/zinc/69/17/12/978691712.db2.gz RBUHEBJDWIMWNQ-UHFFFAOYSA-N -3 3 360.351 0.884 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)c[nH]1 ZINC000751272334 978692142 /nfs/dbraw/zinc/69/21/42/978692142.db2.gz PHLXDSNXLIQJMB-UHFFFAOYSA-N -3 3 358.401 0.510 20 50 FCGDHL COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-] ZINC001599504363 997185819 /nfs/dbraw/zinc/18/58/19/997185819.db2.gz HMHUKINWIJIRGL-UHFFFAOYSA-N -3 3 359.404 0.570 20 50 FCGDHL COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NN=c1nc(C)cc(C)[n-]1 ZINC001599371083 998410929 /nfs/dbraw/zinc/41/09/29/998410929.db2.gz OFMZJSDDJPSRDX-UHFFFAOYSA-N -2 3 359.342 0.882 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)Cc2ccccn2)c1-c1nn[n-]n1 ZINC000826303581 607536468 /nfs/dbraw/zinc/53/64/68/607536468.db2.gz VZAUVBKUPYYLJP-UHFFFAOYSA-N -2 3 373.398 0.122 20 50 FCGDHL CC(C)n1ncc2cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])ccc21 ZINC000833513616 605599331 /nfs/dbraw/zinc/59/93/31/605599331.db2.gz HKNVHLDRGPDVCQ-UHFFFAOYSA-N -3 3 355.376 0.194 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000823277826 606804101 /nfs/dbraw/zinc/80/41/01/606804101.db2.gz XOTCGQBRDZVPMJ-UHFFFAOYSA-N -2 3 354.286 0.245 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000823277826 606804103 /nfs/dbraw/zinc/80/41/03/606804103.db2.gz XOTCGQBRDZVPMJ-UHFFFAOYSA-N -2 3 354.286 0.245 20 50 FCGDHL O=C(NNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000823277604 607205390 /nfs/dbraw/zinc/20/53/90/607205390.db2.gz RPPWMOMJNXDTQK-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL O=C(NNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000823277604 607205391 /nfs/dbraw/zinc/20/53/91/607205391.db2.gz RPPWMOMJNXDTQK-UHFFFAOYSA-N -2 3 369.297 0.555 20 50 FCGDHL COCc1nc(C)c(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826165422 607981840 /nfs/dbraw/zinc/98/18/40/607981840.db2.gz ULGSUTAWOYIVKZ-UHFFFAOYSA-N -2 3 373.398 0.853 20 50 FCGDHL COCc1nc(C)c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826165422 607981841 /nfs/dbraw/zinc/98/18/41/607981841.db2.gz ULGSUTAWOYIVKZ-UHFFFAOYSA-N -2 3 373.398 0.853 20 50 FCGDHL CN([N-]C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826004205 608863857 /nfs/dbraw/zinc/86/38/57/608863857.db2.gz NLMJPFIFOBWEFO-UHFFFAOYSA-N -2 3 357.330 0.694 20 50 FCGDHL CN([N-]C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826004205 608863859 /nfs/dbraw/zinc/86/38/59/608863859.db2.gz NLMJPFIFOBWEFO-UHFFFAOYSA-N -2 3 357.330 0.694 20 50 FCGDHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737962013 945166816 /nfs/dbraw/zinc/16/68/16/945166816.db2.gz MQGRBBOPCQMRNZ-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737962013 945166819 /nfs/dbraw/zinc/16/68/19/945166819.db2.gz MQGRBBOPCQMRNZ-UHFFFAOYSA-N -2 3 363.341 0.998 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000738134271 945216444 /nfs/dbraw/zinc/21/64/44/945216444.db2.gz IWAMXXWIICBPKW-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL CCc1n[nH]c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000736668150 944866116 /nfs/dbraw/zinc/86/61/16/944866116.db2.gz WOADXKKPKCYJKO-UHFFFAOYSA-N -2 3 371.317 0.135 20 50 FCGDHL CN(C)c1ccnc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736777709 944887700 /nfs/dbraw/zinc/88/77/00/944887700.db2.gz BFERTZAMQKVYFG-UHFFFAOYSA-N -2 3 352.358 0.403 20 50 FCGDHL CN(C)c1ccnc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736777709 944887703 /nfs/dbraw/zinc/88/77/03/944887703.db2.gz BFERTZAMQKVYFG-UHFFFAOYSA-N -2 3 352.358 0.403 20 50 FCGDHL COC(=O)N[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736939050 944915365 /nfs/dbraw/zinc/91/53/65/944915365.db2.gz ILKJQYOXFHGMGC-UHFFFAOYSA-N -2 3 366.281 0.435 20 50 FCGDHL COC(=O)N[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736939050 944915371 /nfs/dbraw/zinc/91/53/71/944915371.db2.gz ILKJQYOXFHGMGC-UHFFFAOYSA-N -2 3 366.281 0.435 20 50 FCGDHL CCNc1ncc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821313170 945668548 /nfs/dbraw/zinc/66/85/48/945668548.db2.gz BTOFZYFWZOENNG-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL CCNc1ncc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821313170 945668558 /nfs/dbraw/zinc/66/85/58/945668558.db2.gz BTOFZYFWZOENNG-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL COc1cccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)c1O ZINC000821858239 945885649 /nfs/dbraw/zinc/88/56/49/945885649.db2.gz DFAXMQXYWCHNNO-UHFFFAOYSA-N -2 3 360.355 0.717 20 50 FCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)C(F)(F)C(F)F ZINC000823037446 946288785 /nfs/dbraw/zinc/28/87/85/946288785.db2.gz YBJJCAQELAWAEG-UHFFFAOYSA-N -2 3 362.243 0.293 20 50 FCGDHL O=C([O-])Cn1cc(C(=O)[N-]NC(=O)c2cc3ccccc3cc2[O-])nn1 ZINC001574742751 957689270 /nfs/dbraw/zinc/68/92/70/957689270.db2.gz AFJPTGGRLKLXQE-UHFFFAOYSA-N -3 3 355.310 0.296 20 50 FCGDHL Cn1cc(Br)cc1C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001574450429 961477456 /nfs/dbraw/zinc/47/74/56/961477456.db2.gz ZZAIMJUTUUKQBW-UHFFFAOYSA-N -2 3 367.159 0.956 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000267188141 962763537 /nfs/dbraw/zinc/76/35/37/962763537.db2.gz CUULWIMTBVDOOY-UHFFFAOYSA-N -3 3 363.367 0.361 20 50 FCGDHL O=C([O-])CN1CCCC[C@H](NC(=O)NN=c2ncc(Cl)c[n-]2)C1=O ZINC001606256487 973596184 /nfs/dbraw/zinc/59/61/84/973596184.db2.gz ZKGDEDGAWUUDCW-VIFPVBQESA-N -2 3 356.770 0.222 20 50 FCGDHL N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001605576611 973849476 /nfs/dbraw/zinc/84/94/76/973849476.db2.gz PMZYHIBYCJRKRE-LWMSPQMPSA-N -2 3 350.352 0.009 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001604756622 973970694 /nfs/dbraw/zinc/97/06/94/973970694.db2.gz YRRCKAHQCDLSLJ-SECBINFHSA-N -2 3 361.148 0.318 20 50 FCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)cc1 ZINC000729664617 978294793 /nfs/dbraw/zinc/29/47/93/978294793.db2.gz RZDWSWQRKYQAAG-UHFFFAOYSA-N -3 3 365.367 0.097 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)cc1C(=O)[O-] ZINC000728856650 978294986 /nfs/dbraw/zinc/29/49/86/978294986.db2.gz ZWSONZAFXFSQTJ-UHFFFAOYSA-N -3 3 365.367 0.341 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000737917794 978457844 /nfs/dbraw/zinc/45/78/44/978457844.db2.gz OVMYWKDOOTWSPM-JGVFFNPUSA-N -2 3 357.160 0.939 20 50 FCGDHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1 ZINC000739348767 978631360 /nfs/dbraw/zinc/63/13/60/978631360.db2.gz DLOAUPDRXGUWFO-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000842592397 979321446 /nfs/dbraw/zinc/32/14/46/979321446.db2.gz KXINFPJJQVJUJR-CBAPKCEASA-N -3 3 362.791 0.773 20 50 FCGDHL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[N-]C(=O)c1cn[nH]c1 ZINC001594569737 986383135 /nfs/dbraw/zinc/38/31/35/986383135.db2.gz QWTXKPHRLVVAIH-LLVKDONJSA-N -2 3 372.385 0.673 20 50 FCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1 ZINC000831696604 601327701 /nfs/dbraw/zinc/32/77/01/601327701.db2.gz BTBBUSATCZWJMI-YVMONPNESA-N -3 3 357.388 0.313 20 50 FCGDHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000833148205 601830347 /nfs/dbraw/zinc/83/03/47/601830347.db2.gz DSKATYMQAQAWCE-UHFFFAOYSA-N -3 3 356.747 0.452 20 50 FCGDHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825333379 609527318 /nfs/dbraw/zinc/52/73/18/609527318.db2.gz XLDFCOJPUSGJGQ-UHFFFAOYSA-N -2 3 359.799 0.423 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)NC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260039 609543669 /nfs/dbraw/zinc/54/36/69/609543669.db2.gz SNNSFRIFVNWRQE-UHFFFAOYSA-N -2 3 367.373 0.467 20 50 FCGDHL Cc1cc(C(=O)[N-]NC(=O)NC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260039 609543670 /nfs/dbraw/zinc/54/36/70/609543670.db2.gz SNNSFRIFVNWRQE-UHFFFAOYSA-N -2 3 367.373 0.467 20 50 FCGDHL O=C([N-]NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738131014 945213575 /nfs/dbraw/zinc/21/35/75/945213575.db2.gz ZGCPRPQBWGZBHU-CYBMUJFWSA-N -2 3 351.326 0.026 20 50 FCGDHL COc1ccccc1CC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737153820 944971911 /nfs/dbraw/zinc/97/19/11/944971911.db2.gz VLXBVAHJAITNBG-UHFFFAOYSA-N -2 3 353.342 0.274 20 50 FCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)CCC(C)C ZINC000737225485 945015230 /nfs/dbraw/zinc/01/52/30/945015230.db2.gz ORVGFOIECQZCGF-UHFFFAOYSA-N -2 3 352.420 0.921 20 50 FCGDHL O=C(COc1ccc(F)cc1)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823040175 946288658 /nfs/dbraw/zinc/28/86/58/946288658.db2.gz FAUVXVKLEGDHSX-UHFFFAOYSA-N -2 3 362.346 0.907 20 50 FCGDHL C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[N-]C(=O)c1ncccn1 ZINC001575191439 952467519 /nfs/dbraw/zinc/46/75/19/952467519.db2.gz WUMQHMBXBISYPS-JTQLQIEISA-N -2 3 352.358 0.297 20 50 FCGDHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[N-]C(=O)c1ncccn1 ZINC001575191439 952467520 /nfs/dbraw/zinc/46/75/20/952467520.db2.gz WUMQHMBXBISYPS-JTQLQIEISA-N -2 3 352.358 0.297 20 50 FCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001605163689 972854102 /nfs/dbraw/zinc/85/41/02/972854102.db2.gz ATYXHGVNHOOGDB-LLVKDONJSA-N -2 3 350.379 0.185 20 50 FCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000735462617 978301532 /nfs/dbraw/zinc/30/15/32/978301532.db2.gz ROUFCYLJLQNOFA-UHFFFAOYSA-N -3 3 358.763 0.395 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000737917796 978457792 /nfs/dbraw/zinc/45/77/92/978457792.db2.gz OVMYWKDOOTWSPM-SFYZADRCSA-N -2 3 357.160 0.939 20 50 FCGDHL C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000842585559 979320212 /nfs/dbraw/zinc/32/02/12/979320212.db2.gz CKOLETMWPMVKKR-IONNQARKSA-N -3 3 362.791 0.773 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCO[C@@H]1C ZINC000842591974 979321477 /nfs/dbraw/zinc/32/14/77/979321477.db2.gz HQGYQKWEKIKGOU-PSASIEDQSA-N -3 3 358.372 0.128 20 50 FCGDHL O=C([O-])C1(CNC(=O)NN=c2ncc(Br)c[n-]2)CCOCC1 ZINC000848582316 979474216 /nfs/dbraw/zinc/47/42/16/979474216.db2.gz AAAAZKHYIPIWGJ-UHFFFAOYSA-N -2 3 374.195 0.747 20 50 FCGDHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594865733 982169788 /nfs/dbraw/zinc/16/97/88/982169788.db2.gz JQRUPUDNTWCYIL-QMMMGPOBSA-N -3 3 358.372 0.527 20 50 FCGDHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cccc(C)n1 ZINC001597785909 989306755 /nfs/dbraw/zinc/30/67/55/989306755.db2.gz UCPKXNPEPKINMF-UHFFFAOYSA-N -3 3 353.356 0.867 20 50 FCGDHL NC(=O)c1ccc(=NNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)[n-]n1 ZINC000833087081 601817772 /nfs/dbraw/zinc/81/77/72/601817772.db2.gz YFUINHDBASYIJB-UHFFFAOYSA-N -2 3 354.326 0.372 20 50 FCGDHL O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)CCc1ccccc1O ZINC000833102535 601841645 /nfs/dbraw/zinc/84/16/45/601841645.db2.gz LYMYGEQIUGXGHQ-UHFFFAOYSA-N -3 3 371.396 0.489 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2sccc2-c2nnn[n-]2)[n-]c1C ZINC000825565322 609396960 /nfs/dbraw/zinc/39/69/60/609396960.db2.gz RCAIMVGVIIBMKS-UHFFFAOYSA-N -2 3 374.386 0.960 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2sccc2-c2nn[n-]n2)[n-]c1C ZINC000825565322 609396963 /nfs/dbraw/zinc/39/69/63/609396963.db2.gz RCAIMVGVIIBMKS-UHFFFAOYSA-N -2 3 374.386 0.960 20 50 FCGDHL CCNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825476333 609543566 /nfs/dbraw/zinc/54/35/66/609543566.db2.gz GSLGBFKVSSCKMM-UHFFFAOYSA-N -2 3 355.362 0.325 20 50 FCGDHL CCNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825476333 609543568 /nfs/dbraw/zinc/54/35/68/609543568.db2.gz GSLGBFKVSSCKMM-UHFFFAOYSA-N -2 3 355.362 0.325 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134402 945218440 /nfs/dbraw/zinc/21/84/40/945218440.db2.gz LQHCIVLRECJNGQ-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL O=C(N[N-]S(=O)(=O)c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134402 945218445 /nfs/dbraw/zinc/21/84/45/945218445.db2.gz LQHCIVLRECJNGQ-UHFFFAOYSA-N -2 3 362.346 0.629 20 50 FCGDHL Nc1cccc([N+](=O)[O-])c1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826396356 948207560 /nfs/dbraw/zinc/20/75/60/948207560.db2.gz UDTPIMRGQNVGEF-UHFFFAOYSA-N -2 3 368.313 0.432 20 50 FCGDHL Nc1cccc([N+](=O)[O-])c1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826396356 948207566 /nfs/dbraw/zinc/20/75/66/948207566.db2.gz UDTPIMRGQNVGEF-UHFFFAOYSA-N -2 3 368.313 0.432 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC001602768281 971497605 /nfs/dbraw/zinc/49/76/05/971497605.db2.gz ZKEAMGUQAQVONJ-UHFFFAOYSA-N -2 3 372.337 0.578 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000016099737 957097512 /nfs/dbraw/zinc/09/75/12/957097512.db2.gz WDSAKDUUMBZRCC-UHFFFAOYSA-N -3 3 351.340 0.412 20 50 FCGDHL O=C([O-])CC[C@H]1C[C@H](C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CO1 ZINC001574686089 962609845 /nfs/dbraw/zinc/60/98/45/962609845.db2.gz IVQFXHFDMOVMSF-WFASDCNBSA-N -2 3 372.381 0.903 20 50 FCGDHL O=C([O-])CC1(C(=O)NN=c2ncc(Br)c[n-]2)CCOCC1 ZINC000852953241 969300287 /nfs/dbraw/zinc/30/02/87/969300287.db2.gz ICENTYJUSASPJW-UHFFFAOYSA-N -2 3 359.180 0.954 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC000728856602 978295148 /nfs/dbraw/zinc/29/51/48/978295148.db2.gz XFFXHMDLZBFFEJ-UHFFFAOYSA-N -3 3 365.367 0.341 20 50 FCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C)c1 ZINC000737652344 978426909 /nfs/dbraw/zinc/42/69/09/978426909.db2.gz ANOFQQQDAXAHST-UHFFFAOYSA-N -3 3 372.399 0.917 20 50 FCGDHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC000739348805 978631506 /nfs/dbraw/zinc/63/15/06/978631506.db2.gz FEJKHKFILJRJST-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc(F)c1F ZINC000751141198 978691070 /nfs/dbraw/zinc/69/10/70/978691070.db2.gz BOADWDMDPUVOJT-UHFFFAOYSA-N -3 3 357.294 0.681 20 50 FCGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCO[C@H]1C ZINC000842591982 979321041 /nfs/dbraw/zinc/32/10/41/979321041.db2.gz HQGYQKWEKIKGOU-WPRPVWTQSA-N -3 3 358.372 0.128 20 50 FCGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCO[C@@H]1C ZINC000842592861 979322226 /nfs/dbraw/zinc/32/22/26/979322226.db2.gz PRKUXOMBFVJRTQ-SCZZXKLOSA-N -3 3 360.363 0.567 20 50 FCGDHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001595759017 982463939 /nfs/dbraw/zinc/46/39/39/982463939.db2.gz IOVBEULPQYWWKX-UHFFFAOYSA-N -3 3 359.404 0.824 20 50 FCGDHL COc1cc(S(=O)(=O)[N-][N-]C(=O)c2cccc(C)n2)ccc1C(=O)[O-] ZINC001599459507 998247668 /nfs/dbraw/zinc/24/76/68/998247668.db2.gz CFSCPUXWNXVZDK-UHFFFAOYSA-N -3 3 365.367 0.720 20 50 FCGDHL COc1cc(C(=O)[O-])cc(NC(=O)N[N-]C(=O)c2cnn(C)c2)c1OC ZINC001599360600 998254615 /nfs/dbraw/zinc/25/46/15/998254615.db2.gz NPBOFNYFQLNIKO-UHFFFAOYSA-N -2 3 363.330 0.602 20 50 FCGDHL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)NN=c2cccn[n-]2)C1=O ZINC000833148976 601153635 /nfs/dbraw/zinc/15/36/35/601153635.db2.gz VOWFKXRGUPHNQH-SECBINFHSA-N -2 3 362.371 0.668 20 50 FCGDHL CCc1ncsc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825754595 607540710 /nfs/dbraw/zinc/54/07/10/607540710.db2.gz DZBPEADBEOWBLG-UHFFFAOYSA-N -2 3 373.398 0.726 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825922409 604829352 /nfs/dbraw/zinc/82/93/52/604829352.db2.gz BFOKVYQJOJAEGY-UHFFFAOYSA-N -2 3 360.301 0.952 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)Oc1ccccc1 ZINC000826444565 607743032 /nfs/dbraw/zinc/74/30/32/607743032.db2.gz LNQWMHKKMGWONY-UHFFFAOYSA-N -2 3 363.284 0.628 20 50 FCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)Oc1ccccc1 ZINC000826444565 607743033 /nfs/dbraw/zinc/74/30/33/607743033.db2.gz LNQWMHKKMGWONY-UHFFFAOYSA-N -2 3 363.284 0.628 20 50 FCGDHL Cc1ncc(Cl)c(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737491689 945082352 /nfs/dbraw/zinc/08/23/52/945082352.db2.gz MSZXKWRGSWXJDZ-UHFFFAOYSA-N -2 3 358.749 0.693 20 50 FCGDHL Cc1ncc(Cl)c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737491689 945082362 /nfs/dbraw/zinc/08/23/62/945082362.db2.gz MSZXKWRGSWXJDZ-UHFFFAOYSA-N -2 3 358.749 0.693 20 50 FCGDHL Cc1ncsc1C(=O)[N-]NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737500529 945083720 /nfs/dbraw/zinc/08/37/20/945083720.db2.gz OYNZEZNXWWMMDL-UHFFFAOYSA-N -2 3 358.387 0.776 20 50 FCGDHL Cc1nn2cccnc2c1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737520290 945088009 /nfs/dbraw/zinc/08/80/09/945088009.db2.gz DFDPAUYBYIGBHK-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL Cc1nn2cccnc2c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737520290 945088020 /nfs/dbraw/zinc/08/80/20/945088020.db2.gz DFDPAUYBYIGBHK-UHFFFAOYSA-N -2 3 363.341 0.293 20 50 FCGDHL O=C([N-]NC(=S)NCCc1cccs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738134005 945214572 /nfs/dbraw/zinc/21/45/72/945214572.db2.gz BZWVZYVDYAOHCB-UHFFFAOYSA-N -2 3 374.455 0.675 20 50 FCGDHL COc1ccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000737067831 944942580 /nfs/dbraw/zinc/94/25/80/944942580.db2.gz NXOUVVGOOHGMDB-UHFFFAOYSA-N -2 3 369.341 0.354 20 50 FCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737139124 944966416 /nfs/dbraw/zinc/96/64/16/944966416.db2.gz SVDHXEWYVLPXRL-UHFFFAOYSA-N -2 3 374.382 0.499 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822226520 946004581 /nfs/dbraw/zinc/00/45/81/946004581.db2.gz WLFLXQFWGUYTAD-UHFFFAOYSA-N -2 3 370.329 0.057 20 50 FCGDHL Cc1ccc(C(=O)[N-]NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822226520 946004589 /nfs/dbraw/zinc/00/45/89/946004589.db2.gz WLFLXQFWGUYTAD-UHFFFAOYSA-N -2 3 370.329 0.057 20 50 FCGDHL O=C(COc1ccccc1O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823054990 946299121 /nfs/dbraw/zinc/29/91/21/946299121.db2.gz INZYZSRKROCXGP-UHFFFAOYSA-N -2 3 360.355 0.474 20 50 FCGDHL O=C([O-])C1=NO[C@@H](C(=O)N[N-]C(=O)c2ccccc2Br)C1 ZINC001605969911 972973219 /nfs/dbraw/zinc/97/32/19/972973219.db2.gz HAGQBXKQHVZIOQ-SECBINFHSA-N -2 3 356.132 0.440 20 50 FCGDHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1 ZINC000728856562 978295201 /nfs/dbraw/zinc/29/52/01/978295201.db2.gz URGWFMLNTNQSHA-UHFFFAOYSA-N -3 3 369.786 0.985 20 50 FCGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1C ZINC000729664868 978295229 /nfs/dbraw/zinc/29/52/29/978295229.db2.gz YCSVEZFBZGYNSC-UHFFFAOYSA-N -3 3 363.395 0.949 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1C(=O)[O-] ZINC000738061358 978471244 /nfs/dbraw/zinc/47/12/44/978471244.db2.gz UWKPJRLGVSKQIK-UHFFFAOYSA-N -3 3 351.340 0.412 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001589223374 985737509 /nfs/dbraw/zinc/73/75/09/985737509.db2.gz SCDDFFSZTHRCHQ-UHFFFAOYSA-N -2 3 360.301 0.952 20 50 FCGDHL C[C@H](Oc1ccc(NC(=O)N[N-]C(=O)c2cn[nH]c2)cc1F)C(=O)[O-] ZINC001593632093 995918398 /nfs/dbraw/zinc/91/83/98/995918398.db2.gz PUXXOUFNRAUDJT-ZETCQYMHSA-N -2 3 351.294 0.867 20 50 FCGDHL O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)CCOc1ccccc1 ZINC000833103041 601838887 /nfs/dbraw/zinc/83/88/87/601838887.db2.gz LCAHEQXJYOHKOK-UHFFFAOYSA-N -3 3 371.396 0.620 20 50 FCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)c(OC)c1C(=O)[O-] ZINC000833734345 604861065 /nfs/dbraw/zinc/86/10/65/604861065.db2.gz YAUMQIRCJHDGSR-UHFFFAOYSA-N -3 3 373.387 0.305 20 50 FCGDHL O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(=O)[nH][n-]1 ZINC000823518906 606128214 /nfs/dbraw/zinc/12/82/14/606128214.db2.gz BLWDZRGCNCDKQT-UHFFFAOYSA-N -2 3 354.252 0.205 20 50 FCGDHL O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(=O)[nH][n-]1 ZINC000823518906 606128217 /nfs/dbraw/zinc/12/82/17/606128217.db2.gz BLWDZRGCNCDKQT-UHFFFAOYSA-N -2 3 354.252 0.205 20 50 FCGDHL CSCCNC(=S)N[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826228822 608828000 /nfs/dbraw/zinc/82/80/00/608828000.db2.gz BSBJCTHGXKJRTL-UHFFFAOYSA-N -2 3 372.867 0.387 20 50 FCGDHL CCCNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825331868 609542597 /nfs/dbraw/zinc/54/25/97/609542597.db2.gz BAYVHLOORNHPGY-UHFFFAOYSA-N -2 3 369.389 0.715 20 50 FCGDHL CCCNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825331868 609542598 /nfs/dbraw/zinc/54/25/98/609542598.db2.gz BAYVHLOORNHPGY-UHFFFAOYSA-N -2 3 369.389 0.715 20 50 FCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737501995 945085419 /nfs/dbraw/zinc/08/54/19/945085419.db2.gz YFMFEQFYJBIQFG-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL COCc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737022479 944933845 /nfs/dbraw/zinc/93/38/45/944933845.db2.gz UDFJAYGXGDPCTI-UHFFFAOYSA-N -2 3 359.371 0.544 20 50 FCGDHL COCc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737022479 944933855 /nfs/dbraw/zinc/93/38/55/944933855.db2.gz UDFJAYGXGDPCTI-UHFFFAOYSA-N -2 3 359.371 0.544 20 50 FCGDHL COc1ccc(NC(=S)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000737103380 944959273 /nfs/dbraw/zinc/95/92/73/944959273.db2.gz IWDHWSOYXLJKMX-UHFFFAOYSA-N -2 3 371.386 0.297 20 50 FCGDHL CCNc1ncc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821313386 945668841 /nfs/dbraw/zinc/66/88/41/945668841.db2.gz DWBNQAKQMDPGNL-UHFFFAOYSA-N -2 3 358.387 0.830 20 50 FCGDHL O=C(COc1ccccc1O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823055755 946299138 /nfs/dbraw/zinc/29/91/38/946299138.db2.gz VBQLBBGIGYILPB-UHFFFAOYSA-N -2 3 360.355 0.474 20 50 FCGDHL Nc1cccc([N+](=O)[O-])c1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826395960 948206701 /nfs/dbraw/zinc/20/67/01/948206701.db2.gz AJQNAPLNQBBKEF-UHFFFAOYSA-N -2 3 368.313 0.432 20 50 FCGDHL Nc1cccc([N+](=O)[O-])c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826395960 948206708 /nfs/dbraw/zinc/20/67/08/948206708.db2.gz AJQNAPLNQBBKEF-UHFFFAOYSA-N -2 3 368.313 0.432 20 50 FCGDHL O=C([O-])CSCC(=O)NN=c1[n-]c(Br)cn2ccnc12 ZINC000819539742 955450491 /nfs/dbraw/zinc/45/04/91/955450491.db2.gz NQZPGYAWMTZIER-UHFFFAOYSA-N -2 3 360.193 0.753 20 50 FCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)COCC(=O)[O-])c1 ZINC001594075358 958217119 /nfs/dbraw/zinc/21/71/19/958217119.db2.gz NFGOFWCTVNAADU-UHFFFAOYSA-N -2 3 361.148 0.320 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001573357242 958583581 /nfs/dbraw/zinc/58/35/81/958583581.db2.gz YVFQUFKOUOMRJR-DGCLKSJQSA-N -2 3 364.358 0.071 20 50 FCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1 ZINC000737652485 978426718 /nfs/dbraw/zinc/42/67/18/978426718.db2.gz BUOPVRCVAROCJX-UHFFFAOYSA-N -3 3 356.356 0.281 20 50 FCGDHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1 ZINC000749141585 978688303 /nfs/dbraw/zinc/68/83/03/978688303.db2.gz GMBJAJJAHFJDSH-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c1 ZINC001589222956 985734954 /nfs/dbraw/zinc/73/49/54/985734954.db2.gz HEWCKBSVGVJATD-QWHCGFSZSA-N -2 3 364.358 0.213 20 50 FCGDHL COc1ccc(NC(=O)C(=O)NN=c2nc(C)cc(C)[n-]2)c(C(=O)[O-])c1 ZINC001599590002 993667373 /nfs/dbraw/zinc/66/73/73/993667373.db2.gz XROOZQPLOQCVSP-UHFFFAOYSA-N -2 3 359.342 0.882 20 50 FCGDHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)NC1CCCC1 ZINC001599382882 996888861 /nfs/dbraw/zinc/88/88/61/996888861.db2.gz LABFYTSOKCOYJG-UHFFFAOYSA-N -3 3 357.388 0.829 20 50 FCGDHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC001599383289 996897614 /nfs/dbraw/zinc/89/76/14/996897614.db2.gz YRMCKDQXUNOQAR-UHFFFAOYSA-N -3 3 351.340 0.412 20 50 FCGDHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC000833118544 601861612 /nfs/dbraw/zinc/86/16/12/601861612.db2.gz QUGOLMAAEHLSKJ-UHFFFAOYSA-N -3 3 353.331 0.471 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826303691 607532605 /nfs/dbraw/zinc/53/26/05/607532605.db2.gz ABXZVFNIYZQGGT-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826303691 607532608 /nfs/dbraw/zinc/53/26/08/607532608.db2.gz ABXZVFNIYZQGGT-UHFFFAOYSA-N -2 3 358.383 0.798 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccn2C)c1-c1nnn[n-]1 ZINC000826303812 607534475 /nfs/dbraw/zinc/53/44/75/607534475.db2.gz GSSXXEIRLFENKN-UHFFFAOYSA-N -2 3 361.387 0.137 20 50 FCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccn2C)c1-c1nn[n-]n1 ZINC000826303812 607534477 /nfs/dbraw/zinc/53/44/77/607534477.db2.gz GSSXXEIRLFENKN-UHFFFAOYSA-N -2 3 361.387 0.137 20 50 FCGDHL Cc1cccnc1C(=O)N[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826308041 607683086 /nfs/dbraw/zinc/68/30/86/607683086.db2.gz GWSQUJMVTDGRJU-UHFFFAOYSA-N -2 3 373.398 0.502 20 50 FCGDHL Cc1ncc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826330396 607846404 /nfs/dbraw/zinc/84/64/04/607846404.db2.gz SHVDMPOOZYUYKD-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL Cc1ncc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826330396 607846405 /nfs/dbraw/zinc/84/64/05/607846405.db2.gz SHVDMPOOZYUYKD-UHFFFAOYSA-N -2 3 365.400 0.255 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[n-]c1C ZINC000825565507 609333711 /nfs/dbraw/zinc/33/37/11/609333711.db2.gz UEOGZXBCYCVDSK-UHFFFAOYSA-N -2 3 357.334 0.227 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[n-]c1C ZINC000825564788 609396931 /nfs/dbraw/zinc/39/69/31/609396931.db2.gz FPSDMKBWEFKEJI-UHFFFAOYSA-N -2 3 357.334 0.227 20 50 FCGDHL CCOC(=O)c1cnc(=NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[n-]c1C ZINC000825564788 609396934 /nfs/dbraw/zinc/39/69/34/609396934.db2.gz FPSDMKBWEFKEJI-UHFFFAOYSA-N -2 3 357.334 0.227 20 50 FCGDHL