smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CC1(NCc2ccco2)CC1 84356793 1169117774 /nfs/dbraw/zinc/11/77/74/1169117774.db2.gz AZPKKZJBBBPWCC-UHFFFAOYSA-N -1 3 195.218 1.377 10 0 ADAEHM [O-]c1ccccc1-c1cnccn1 90715349 1169126080 /nfs/dbraw/zinc/12/60/80/1169126080.db2.gz ZBGPAQPJWFTMLC-UHFFFAOYSA-N -1 3 172.187 1.849 10 0 ADAEHM C=Cc1cccc(-c2nnn[n-]2)c1 95129124 1169127690 /nfs/dbraw/zinc/12/76/90/1169127690.db2.gz LETPWFJWVAEZFH-UHFFFAOYSA-N -1 3 172.191 1.510 10 0 ADAEHM C=Cc1cccc(-c2nn[n-]n2)c1 95129124 1169127694 /nfs/dbraw/zinc/12/76/94/1169127694.db2.gz LETPWFJWVAEZFH-UHFFFAOYSA-N -1 3 172.191 1.510 10 0 ADAEHM CC(C)Oc1cccc([O-])c1C(N)=O 95710824 1169129207 /nfs/dbraw/zinc/12/92/07/1169129207.db2.gz WBYNYEHEFDISLT-UHFFFAOYSA-N -1 3 195.218 1.278 10 0 ADAEHM CCO[N-]C(=O)CC1(C)CC1 307726485 673922634 /nfs/dbraw/zinc/92/26/34/673922634.db2.gz DFPLSNXJIJQTRC-UHFFFAOYSA-N -1 3 157.213 1.244 10 0 ADAEHM CC(C)CO[N-]C(=O)CCC(F)F 308165828 673927430 /nfs/dbraw/zinc/92/74/30/673927430.db2.gz XNNGCILRMBONOF-UHFFFAOYSA-N -1 3 195.209 1.736 10 0 ADAEHM CCOC(=O)Cc1cc([O-])cc(F)c1 113192374 1169148509 /nfs/dbraw/zinc/14/85/09/1169148509.db2.gz QEPYXJCQKICZDT-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CCC[C@H](C)OC(=O)c1cnn[n-]1 308290755 673930170 /nfs/dbraw/zinc/93/01/70/673930170.db2.gz GXFZGHDYAQEIBO-LURJTMIESA-N -1 3 183.211 1.150 10 0 ADAEHM CCC[C@H](C)OC(=O)c1c[n-]nn1 308290755 673930173 /nfs/dbraw/zinc/93/01/73/673930173.db2.gz GXFZGHDYAQEIBO-LURJTMIESA-N -1 3 183.211 1.150 10 0 ADAEHM CCC[C@@H](C)OC(=O)c1cnn[n-]1 308290756 673930193 /nfs/dbraw/zinc/93/01/93/673930193.db2.gz GXFZGHDYAQEIBO-ZCFIWIBFSA-N -1 3 183.211 1.150 10 0 ADAEHM CCC[C@@H](C)OC(=O)c1c[n-]nn1 308290756 673930195 /nfs/dbraw/zinc/93/01/95/673930195.db2.gz GXFZGHDYAQEIBO-ZCFIWIBFSA-N -1 3 183.211 1.150 10 0 ADAEHM CC(C)c1cc(=O)n(CCN(C)C)[n-]1 116397289 1169156871 /nfs/dbraw/zinc/15/68/71/1169156871.db2.gz LFNVWOVPHQXKEQ-UHFFFAOYSA-N -1 3 197.282 1.274 10 0 ADAEHM CCCc1cc(=O)n(CCN(C)C)[n-]1 116397286 1169157300 /nfs/dbraw/zinc/15/73/00/1169157300.db2.gz MSXOLKHKOISFAH-UHFFFAOYSA-N -1 3 197.282 1.103 10 0 ADAEHM C[C@H]1C[C@@H]1[N-]C(=O)C(F)(F)C(F)F 226626170 673938235 /nfs/dbraw/zinc/93/82/35/673938235.db2.gz NBTXFXMEMXONFL-IMJSIDKUSA-N -1 3 199.147 1.411 10 0 ADAEHM COC(=O)CCc1ccc(F)cc1[O-] 117122491 1169160092 /nfs/dbraw/zinc/16/00/92/1169160092.db2.gz WKXPREDQQKTHDM-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CO[N-]C(=O)C1(C)CC=CC1 224989951 673966986 /nfs/dbraw/zinc/96/69/86/673966986.db2.gz JNAHYLCWZXIJNV-UHFFFAOYSA-N -1 3 155.197 1.020 10 0 ADAEHM CC(C)(C)O[N-]C(=O)CC1CC1 134515950 1169191467 /nfs/dbraw/zinc/19/14/67/1169191467.db2.gz HQBUOWPWRFMFGM-UHFFFAOYSA-N -1 3 171.240 1.633 10 0 ADAEHM C[C@H](F)CCNc1cc(=O)[n-]cn1 702572972 673979698 /nfs/dbraw/zinc/97/96/98/673979698.db2.gz XBURYVKTJCVZLN-LURJTMIESA-N -1 3 185.202 1.342 10 0 ADAEHM C[C@@H](F)CCNc1cc(=O)[n-]cn1 702572973 673979891 /nfs/dbraw/zinc/97/98/91/673979891.db2.gz XBURYVKTJCVZLN-ZCFIWIBFSA-N -1 3 185.202 1.342 10 0 ADAEHM Cc1nc(NCC[C@H](C)F)cc(=O)[n-]1 705380122 673986733 /nfs/dbraw/zinc/98/67/33/673986733.db2.gz GWFLFDLAQVKLIW-LURJTMIESA-N -1 3 199.229 1.651 10 0 ADAEHM Cc1nc(NCC[C@@H](C)F)cc(=O)[n-]1 705380124 673986765 /nfs/dbraw/zinc/98/67/65/673986765.db2.gz GWFLFDLAQVKLIW-ZCFIWIBFSA-N -1 3 199.229 1.651 10 0 ADAEHM CCCCN([O-])C(=O)C(C)C 143463147 1169213189 /nfs/dbraw/zinc/21/31/89/1169213189.db2.gz CYHMFSTZBYTACB-UHFFFAOYSA-N -1 3 159.229 1.660 10 0 ADAEHM CCO[N-]C(=O)[C@@]12CCCC[C@@H]1C2 710487566 673996110 /nfs/dbraw/zinc/99/61/10/673996110.db2.gz SCSQGKUUGBXYNT-PSASIEDQSA-N -1 3 183.251 1.634 10 0 ADAEHM CCO[N-]C(=O)[C@]12CCCC[C@H]1C2 710487813 673996577 /nfs/dbraw/zinc/99/65/77/673996577.db2.gz SCSQGKUUGBXYNT-WPRPVWTQSA-N -1 3 183.251 1.634 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CCCC1(F)F 714039497 674017076 /nfs/dbraw/zinc/01/70/76/674017076.db2.gz ILVATQTVFWTVGU-LURJTMIESA-N -1 3 193.193 1.490 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CCCC1(F)F 714039498 674017081 /nfs/dbraw/zinc/01/70/81/674017081.db2.gz ILVATQTVFWTVGU-ZCFIWIBFSA-N -1 3 193.193 1.490 10 0 ADAEHM C[C@@H]1CC[C@@H](OC(=O)c2cnn[n-]2)C1 815245473 674028625 /nfs/dbraw/zinc/02/86/25/674028625.db2.gz KUNBYNBKXHMLGC-RNFRBKRXSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@@H]1CC[C@@H](OC(=O)c2c[n-]nn2)C1 815245473 674028626 /nfs/dbraw/zinc/02/86/26/674028626.db2.gz KUNBYNBKXHMLGC-RNFRBKRXSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@H]1CC[C@H](OC(=O)c2cnn[n-]2)C1 815245471 674028681 /nfs/dbraw/zinc/02/86/81/674028681.db2.gz KUNBYNBKXHMLGC-BQBZGAKWSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@H]1CC[C@H](OC(=O)c2c[n-]nn2)C1 815245471 674028682 /nfs/dbraw/zinc/02/86/82/674028682.db2.gz KUNBYNBKXHMLGC-BQBZGAKWSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@@H]1CC[C@H](OC(=O)c2cnn[n-]2)C1 815245474 674028711 /nfs/dbraw/zinc/02/87/11/674028711.db2.gz KUNBYNBKXHMLGC-RQJHMYQMSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@@H]1CC[C@H](OC(=O)c2c[n-]nn2)C1 815245474 674028712 /nfs/dbraw/zinc/02/87/12/674028712.db2.gz KUNBYNBKXHMLGC-RQJHMYQMSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@H]1CC[C@@H](OC(=O)c2cnn[n-]2)C1 815245472 674028721 /nfs/dbraw/zinc/02/87/21/674028721.db2.gz KUNBYNBKXHMLGC-NKWVEPMBSA-N -1 3 195.222 1.150 10 0 ADAEHM C[C@H]1CC[C@@H](OC(=O)c2c[n-]nn2)C1 815245472 674028722 /nfs/dbraw/zinc/02/87/22/674028722.db2.gz KUNBYNBKXHMLGC-NKWVEPMBSA-N -1 3 195.222 1.150 10 0 ADAEHM CCCC(=O)[N-]OC(C)(C)C 148965231 1169248707 /nfs/dbraw/zinc/24/87/07/1169248707.db2.gz APXDOACPUPCVIZ-UHFFFAOYSA-N -1 3 159.229 1.633 10 0 ADAEHM [O-]c1ccc(-c2cnccn2)c(F)c1 156754205 1169253983 /nfs/dbraw/zinc/25/39/83/1169253983.db2.gz MVTSEDNRLFUGGQ-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM [O-]c1cc(F)cc(-c2cnccn2)c1 156753341 1169256323 /nfs/dbraw/zinc/25/63/23/1169256323.db2.gz SQYDFEKGFAVQGE-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CCC2(CCC2)O1 717736470 674049910 /nfs/dbraw/zinc/04/99/10/674049910.db2.gz FLYYLNUUIQWCLC-QMMMGPOBSA-N -1 3 199.250 1.156 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CCC2(CCC2)O1 717736468 674049977 /nfs/dbraw/zinc/04/99/77/674049977.db2.gz FLYYLNUUIQWCLC-MRVPVSSYSA-N -1 3 199.250 1.156 10 0 ADAEHM CCCCN([O-])C(C)=O 168415852 1169289715 /nfs/dbraw/zinc/28/97/15/1169289715.db2.gz ANBLVRIGWDGYBI-UHFFFAOYSA-N -1 3 131.175 1.024 10 0 ADAEHM O=C(CCF)[N-]OCc1ccccc1 900001955 674080386 /nfs/dbraw/zinc/08/03/86/674080386.db2.gz JZHAXEHHMFCCSQ-UHFFFAOYSA-N -1 3 197.209 1.594 10 0 ADAEHM COC(=O)Cc1ccc(F)c([O-])c1 201225450 1169304231 /nfs/dbraw/zinc/30/42/31/1169304231.db2.gz OZWVNPXTZINRCX-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM CC(=O)NCCc1cccc(F)c1[O-] 203816231 1169313086 /nfs/dbraw/zinc/31/30/86/1169313086.db2.gz VMGXMAZOKKGJGW-UHFFFAOYSA-N -1 3 197.209 1.210 10 0 ADAEHM COCCc1ccc([O-])c(C#N)c1 205238644 1169318684 /nfs/dbraw/zinc/31/86/84/1169318684.db2.gz XKPGXLWWOILCJL-UHFFFAOYSA-N -1 3 177.203 1.453 10 0 ADAEHM Cc1cc(C[N-]c2nc(C)no2)on1 221238606 1169351626 /nfs/dbraw/zinc/35/16/26/1169351626.db2.gz CCFVBTJJONVGNV-UHFFFAOYSA-N -1 3 194.194 1.287 10 0 ADAEHM CON(C)C(=O)c1ccc([O-])cc1C 230304211 1169398370 /nfs/dbraw/zinc/39/83/70/1169398370.db2.gz DRSGHSVZZDKMAB-UHFFFAOYSA-N -1 3 195.218 1.334 10 0 ADAEHM Cn1ccc(-c2ccc([O-])cc2F)n1 231989493 1169406338 /nfs/dbraw/zinc/40/63/38/1169406338.db2.gz KRQWVQYWGWJUSH-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM CCC[C@@H](C)Oc1cc(=O)[n-]cn1 233279812 1169410328 /nfs/dbraw/zinc/41/03/28/1169410328.db2.gz JMENFADMLWYYJY-SSDOTTSWSA-N -1 3 182.223 1.337 10 0 ADAEHM CCc1nc(O[C@H](C)CC)cc(=O)[n-]1 233853901 1169412018 /nfs/dbraw/zinc/41/20/18/1169412018.db2.gz UASHLJWMCANBGM-SSDOTTSWSA-N -1 3 196.250 1.510 10 0 ADAEHM CCC[C@H](C)Oc1cc(=O)[n-]cn1 233340055 1169413609 /nfs/dbraw/zinc/41/36/09/1169413609.db2.gz JMENFADMLWYYJY-ZETCQYMHSA-N -1 3 182.223 1.337 10 0 ADAEHM CCc1nc(O[C@@H](C)CC)cc(=O)[n-]1 234017729 1169416844 /nfs/dbraw/zinc/41/68/44/1169416844.db2.gz UASHLJWMCANBGM-ZETCQYMHSA-N -1 3 196.250 1.510 10 0 ADAEHM COC(=O)CCc1c([O-])cccc1F 238354701 1169420463 /nfs/dbraw/zinc/42/04/63/1169420463.db2.gz SNUYPEPLDBPDOU-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM Cn1cnc(-c2ccc([O-])cc2F)c1 306154617 1169464716 /nfs/dbraw/zinc/46/47/16/1169464716.db2.gz DQZKZJXIFWECIZ-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM Cn1cnc(-c2cc([O-])cc(F)c2)c1 306608186 1169484771 /nfs/dbraw/zinc/48/47/71/1169484771.db2.gz IZYPJWLNKVENKV-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM CC1([N-]S(=O)(=O)C(F)F)CCC1 306922315 1169493435 /nfs/dbraw/zinc/49/34/35/1169493435.db2.gz VAKUWZKMLRWMCQ-UHFFFAOYSA-N -1 3 199.222 1.071 10 0 ADAEHM O=C(c1ccccc1[O-])N1CC=CC1 307351174 1169516871 /nfs/dbraw/zinc/51/68/71/1169516871.db2.gz JTLMLVSQPLMZCQ-UHFFFAOYSA-N -1 3 189.214 1.404 10 0 ADAEHM Cc1nnc(-c2cc(O)ccc2[O-])o1 307643088 1169534054 /nfs/dbraw/zinc/53/40/54/1169534054.db2.gz ODYVGBSPXXTBDV-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM CSCCCC(=O)[N-]OC(C)C 402390554 1169678145 /nfs/dbraw/zinc/67/81/45/1169678145.db2.gz TWEZERZEWMYKFZ-UHFFFAOYSA-N -1 3 191.296 1.586 10 0 ADAEHM CCCO[N-]C(=O)CC1CCC1 686766980 1169699137 /nfs/dbraw/zinc/69/91/37/1169699137.db2.gz DEHFYDZTVMZASU-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM CCCO[N-]C(=O)[C@@H](C)CCC 686764813 1169699420 /nfs/dbraw/zinc/69/94/20/1169699420.db2.gz GRNKVQCIFGDNLP-QMMMGPOBSA-N -1 3 173.256 1.880 10 0 ADAEHM CCCO[N-]C(=O)[C@H](C)CCC 686764812 1169699527 /nfs/dbraw/zinc/69/95/27/1169699527.db2.gz GRNKVQCIFGDNLP-MRVPVSSYSA-N -1 3 173.256 1.880 10 0 ADAEHM Cn1cncc1-c1cccc(F)c1[O-] 707042378 1169718990 /nfs/dbraw/zinc/71/89/90/1169718990.db2.gz FITMIOFIXVDILR-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM Cc1nc(OC2CC2)cc(=O)[n-]1 713199296 1169734473 /nfs/dbraw/zinc/73/44/73/1169734473.db2.gz JRZLMTMZCGQZDQ-UHFFFAOYSA-N -1 3 166.180 1.032 10 0 ADAEHM Cn1ccc(-c2ccc(=S)[n-]n2)n1 714779646 1169736088 /nfs/dbraw/zinc/73/60/88/1169736088.db2.gz CZLKHWDGFXYGMA-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM Cc1nc(O[C@H](C)C2CC2)cc(=O)[n-]1 719002914 1169753122 /nfs/dbraw/zinc/75/31/22/1169753122.db2.gz UQMPTAYMGHCEBG-ZCFIWIBFSA-N -1 3 194.234 1.668 10 0 ADAEHM Cc1nc(O[C@@H](C)C2CC2)cc(=O)[n-]1 719002911 1169753382 /nfs/dbraw/zinc/75/33/82/1169753382.db2.gz UQMPTAYMGHCEBG-LURJTMIESA-N -1 3 194.234 1.668 10 0 ADAEHM C[C@@H](Oc1cc(=O)[n-]cn1)C1CCC1 719736840 1169753399 /nfs/dbraw/zinc/75/33/99/1169753399.db2.gz OUFMLFXXCXZPCF-SSDOTTSWSA-N -1 3 194.234 1.750 10 0 ADAEHM C[C@H](Oc1cc(=O)[n-]cn1)C1CC1 719000483 1169754345 /nfs/dbraw/zinc/75/43/45/1169754345.db2.gz KGKLCHKOMIBDTF-LURJTMIESA-N -1 3 180.207 1.360 10 0 ADAEHM C[C@@H](Oc1cc(=O)[n-]cn1)C1CC1 719000485 1169754547 /nfs/dbraw/zinc/75/45/47/1169754547.db2.gz KGKLCHKOMIBDTF-ZCFIWIBFSA-N -1 3 180.207 1.360 10 0 ADAEHM C[C@H](Oc1cc(=O)[n-]cn1)C1CCC1 719736841 1169754769 /nfs/dbraw/zinc/75/47/69/1169754769.db2.gz OUFMLFXXCXZPCF-ZETCQYMHSA-N -1 3 194.234 1.750 10 0 ADAEHM S=c1ccc(-c2nccs2)n[n-]1 721098705 1169759363 /nfs/dbraw/zinc/75/93/63/1169759363.db2.gz VYIKSQWQDCYGDF-UHFFFAOYSA-N -1 3 195.272 1.889 10 0 ADAEHM C[C@H]1CC[C@@H](Oc2cc(=O)[n-]cn2)C1 721529121 1169760830 /nfs/dbraw/zinc/76/08/30/1169760830.db2.gz JLXGHBYFGBUBCJ-JGVFFNPUSA-N -1 3 194.234 1.750 10 0 ADAEHM C[C@H]1CC[C@H](Oc2cc(=O)[n-]cn2)C1 721529125 1169761148 /nfs/dbraw/zinc/76/11/48/1169761148.db2.gz JLXGHBYFGBUBCJ-YUMQZZPRSA-N -1 3 194.234 1.750 10 0 ADAEHM C[C@@H]1CC[C@H](Oc2cc(=O)[n-]cn2)C1 721529122 1169761461 /nfs/dbraw/zinc/76/14/61/1169761461.db2.gz JLXGHBYFGBUBCJ-SFYZADRCSA-N -1 3 194.234 1.750 10 0 ADAEHM C[C@@H]1CC[C@@H](Oc2cc(=O)[n-]cn2)C1 721529120 1169761910 /nfs/dbraw/zinc/76/19/10/1169761910.db2.gz JLXGHBYFGBUBCJ-HTQZYQBOSA-N -1 3 194.234 1.750 10 0 ADAEHM CCC(CC)Oc1cc(=O)[n-]cn1 721622152 1169766194 /nfs/dbraw/zinc/76/61/94/1169766194.db2.gz XKTVQKRGNVOSNS-UHFFFAOYSA-N -1 3 182.223 1.750 10 0 ADAEHM CC(C)(C)O[N-]C(=O)C1=COCCC1 1320338688 1170207096 /nfs/dbraw/zinc/20/70/96/1170207096.db2.gz XPPSEDDSNVOFDQ-UHFFFAOYSA-N -1 3 199.250 1.527 10 0 ADAEHM CC(C)CO[N-]C(=O)C1(C2CC2)CC1 1332756078 1170309905 /nfs/dbraw/zinc/30/99/05/1170309905.db2.gz GHYMENUNBRFSNJ-UHFFFAOYSA-N -1 3 197.278 1.880 10 0 ADAEHM Cc1cc(=O)[n-]c(N[C@H]2CC[C@@H]2C)n1 1337157821 1170387961 /nfs/dbraw/zinc/38/79/61/1170387961.db2.gz GBMYXQDZYDXVES-XPUUQOCRSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1cc(=O)[n-]c(N[C@@H]2CC[C@@H]2C)n1 1337157817 1170388307 /nfs/dbraw/zinc/38/83/07/1170388307.db2.gz GBMYXQDZYDXVES-POYBYMJQSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1cc(=O)[n-]c(N[C@H]2CC[C@H]2C)n1 1337157819 1170388872 /nfs/dbraw/zinc/38/88/72/1170388872.db2.gz GBMYXQDZYDXVES-SVRRBLITSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1cc(=O)[n-]c(N[C@@H]2CC[C@H]2C)n1 1337157814 1170389483 /nfs/dbraw/zinc/38/94/83/1170389483.db2.gz GBMYXQDZYDXVES-HTRCEHHLSA-N -1 3 193.250 1.701 10 0 ADAEHM CC(C)(C)O[N-]C(=O)C12CC(C1)C2 1348467655 1170501227 /nfs/dbraw/zinc/50/12/27/1170501227.db2.gz GJEMIBWTMVCANW-UHFFFAOYSA-N -1 3 183.251 1.633 10 0 ADAEHM CO[N-]C(=O)/C(C)=C/c1ccco1 1624086854 1170832229 /nfs/dbraw/zinc/83/22/29/1170832229.db2.gz QPOMTESTSRFHPN-VOTSOKGWSA-N -1 3 181.191 1.361 10 0 ADAEHM CO[N-]C(=O)/C(C)=C\c1ccco1 1624086853 1170833529 /nfs/dbraw/zinc/83/35/29/1170833529.db2.gz QPOMTESTSRFHPN-SREVYHEPSA-N -1 3 181.191 1.361 10 0 ADAEHM Nc1cccc(-c2nc(Cl)n[n-]2)c1 213816150 571673447 /nfs/dbraw/zinc/67/34/47/571673447.db2.gz MKQHJNJELANJJG-UHFFFAOYSA-N -1 3 194.625 1.707 10 0 ADAEHM Cc1cc([O-])c(C(=O)N(C)C)cc1C 138744483 571672607 /nfs/dbraw/zinc/67/26/07/571672607.db2.gz RKVUYUMYGQXMPB-UHFFFAOYSA-N -1 3 193.246 1.711 10 0 ADAEHM C[C@H](O)/C=C\c1ccc([O-])c(F)c1 379285925 571672810 /nfs/dbraw/zinc/67/28/10/571672810.db2.gz BQPLRCLXDITPJN-XDVGHUOJSA-N -1 3 182.194 1.925 10 0 ADAEHM C[C@@H](O)/C=C\c1ccc([O-])c(F)c1 379285917 571672865 /nfs/dbraw/zinc/67/28/65/571672865.db2.gz BQPLRCLXDITPJN-SKRYNEFJSA-N -1 3 182.194 1.925 10 0 ADAEHM COc1cc(C=O)c([O-])cc1N(C)C 213829801 571676166 /nfs/dbraw/zinc/67/61/66/571676166.db2.gz OUJNLMHUHMXZNS-UHFFFAOYSA-N -1 3 195.218 1.279 10 0 ADAEHM O=C1NCc2cccc([O-])c2N1 213853954 571677166 /nfs/dbraw/zinc/67/71/66/571677166.db2.gz ZYJRJDRRYVIOKU-UHFFFAOYSA-N -1 3 164.164 1.027 10 0 ADAEHM C[C@@H](CCC(=O)[O-])C1CN(C)C1 213869630 571682048 /nfs/dbraw/zinc/68/20/48/571682048.db2.gz NQYGMMUVJZKKNF-ZETCQYMHSA-N -1 3 171.240 1.049 10 0 ADAEHM O=c1[nH]cc(Cl)c2ccc([O-])cc12 213899516 571687290 /nfs/dbraw/zinc/68/72/90/571687290.db2.gz JHRIVGXFDSADDC-UHFFFAOYSA-N -1 3 195.605 1.887 10 0 ADAEHM O=c1[nH]cc(Cl)c2c([O-])cccc12 213899425 571688028 /nfs/dbraw/zinc/68/80/28/571688028.db2.gz OJAZJBFNQWPLMQ-UHFFFAOYSA-N -1 3 195.605 1.887 10 0 ADAEHM CN1CC([C@@H](C(=O)[O-])C2CCC2)C1 213973872 571688659 /nfs/dbraw/zinc/68/86/59/571688659.db2.gz PQOFBCMZFALPRO-VIFPVBQESA-N -1 3 183.251 1.049 10 0 ADAEHM CC(C)N(CC(=O)[O-])c1ccncc1 37994578 571689789 /nfs/dbraw/zinc/68/97/89/571689789.db2.gz UEIGETFIHXNOEL-UHFFFAOYSA-N -1 3 194.234 1.381 10 0 ADAEHM CN1CC([C@H](C(=O)[O-])C2CCC2)C1 213973822 571690426 /nfs/dbraw/zinc/69/04/26/571690426.db2.gz PQOFBCMZFALPRO-SECBINFHSA-N -1 3 183.251 1.049 10 0 ADAEHM Cc1[nH]c(CN)c(C)c1CCC(=O)[O-] 213950164 571692523 /nfs/dbraw/zinc/69/25/23/571692523.db2.gz CAMLTJYWUXKTOW-UHFFFAOYSA-N -1 3 196.250 1.107 10 0 ADAEHM CN1CC([C@H](CC(=O)[O-])C2CC2)C1 213974993 571692983 /nfs/dbraw/zinc/69/29/83/571692983.db2.gz FUDSKMFKDCYZGE-SECBINFHSA-N -1 3 183.251 1.049 10 0 ADAEHM CN1CC([C@@H](CC(=O)[O-])C2CC2)C1 213974939 571693771 /nfs/dbraw/zinc/69/37/71/571693771.db2.gz FUDSKMFKDCYZGE-VIFPVBQESA-N -1 3 183.251 1.049 10 0 ADAEHM [O-]c1cc[n+]([O-])c2ccccc12 331166 571693936 /nfs/dbraw/zinc/69/39/36/571693936.db2.gz WDSYZNBUDXWINJ-UHFFFAOYSA-N -1 3 161.160 1.179 10 0 ADAEHM O=c1ccc2c(Cl)[n-]c(=O)[nH]c-2c1 250044243 571696909 /nfs/dbraw/zinc/69/69/09/571696909.db2.gz ZXIVJSAWLUAXHR-UHFFFAOYSA-N -1 3 196.593 1.694 10 0 ADAEHM O=C([O-])[C@H]1CCN1CCC(F)(F)F 213994152 571697425 /nfs/dbraw/zinc/69/74/25/571697425.db2.gz NASUUGNUSMQBCA-RXMQYKEDSA-N -1 3 197.156 1.098 10 0 ADAEHM CCCN(CC(=O)[O-])c1ccncc1 38021302 571697718 /nfs/dbraw/zinc/69/77/18/571697718.db2.gz DUSWVLFQMUXMKV-UHFFFAOYSA-N -1 3 194.234 1.383 10 0 ADAEHM O=C([O-])[C@@H]1CCN1CCC(F)(F)F 213994093 571697934 /nfs/dbraw/zinc/69/79/34/571697934.db2.gz NASUUGNUSMQBCA-YFKPBYRVSA-N -1 3 197.156 1.098 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccc(CCF)cc1 214006095 571700310 /nfs/dbraw/zinc/70/03/10/571700310.db2.gz LSQARWCTHIDUMQ-SECBINFHSA-N -1 3 197.209 1.283 10 0 ADAEHM N[C@H](C(=O)[O-])c1cccc(CCF)c1 214006178 571701887 /nfs/dbraw/zinc/70/18/87/571701887.db2.gz BQUIBCRZAMMEBV-VIFPVBQESA-N -1 3 197.209 1.283 10 0 ADAEHM N[C@@H](C(=O)[O-])c1cccc(CCF)c1 214006240 571702458 /nfs/dbraw/zinc/70/24/58/571702458.db2.gz BQUIBCRZAMMEBV-SECBINFHSA-N -1 3 197.209 1.283 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccc(CCF)cc1 214006028 571702571 /nfs/dbraw/zinc/70/25/71/571702571.db2.gz LSQARWCTHIDUMQ-VIFPVBQESA-N -1 3 197.209 1.283 10 0 ADAEHM C[C@H](N(C)Cc1nn[n-]n1)C(C)(C)C 95203415 571703797 /nfs/dbraw/zinc/70/37/97/571703797.db2.gz QXJGGIOSNXSIHH-ZETCQYMHSA-N -1 3 197.286 1.066 10 0 ADAEHM C[C@H](N(C)Cc1nnn[n-]1)C(C)(C)C 95203415 571703799 /nfs/dbraw/zinc/70/37/99/571703799.db2.gz QXJGGIOSNXSIHH-ZETCQYMHSA-N -1 3 197.286 1.066 10 0 ADAEHM O=C([O-])c1cc(CNC2CC2)cs1 214046461 571705330 /nfs/dbraw/zinc/70/53/30/571705330.db2.gz IVKVIQNHNZKSQD-UHFFFAOYSA-N -1 3 197.259 1.698 10 0 ADAEHM Cc1cc([O-])cc(CO)c1Cl 214042926 571705376 /nfs/dbraw/zinc/70/53/76/571705376.db2.gz ODZAVWKQTWKBCT-UHFFFAOYSA-N -1 3 172.611 1.846 10 0 ADAEHM Cc1cc(Cl)c([O-])cc1CO 214042770 571705712 /nfs/dbraw/zinc/70/57/12/571705712.db2.gz CJAGUAVMMUMINR-UHFFFAOYSA-N -1 3 172.611 1.846 10 0 ADAEHM Cc1ccc(Cl)c([O-])c1CO 214043253 571705851 /nfs/dbraw/zinc/70/58/51/571705851.db2.gz MFBBSALXMIUVTA-UHFFFAOYSA-N -1 3 172.611 1.846 10 0 ADAEHM CC(C)[C@@H](CC(=O)[O-])C1CN(C)C1 214054264 571709017 /nfs/dbraw/zinc/70/90/17/571709017.db2.gz WTRONBHCRCLAON-SECBINFHSA-N -1 3 185.267 1.295 10 0 ADAEHM C[C@@H](CCC(=O)[O-])NCc1ccco1 70633067 571709536 /nfs/dbraw/zinc/70/95/36/571709536.db2.gz HILFFHZSUCKZAQ-QMMMGPOBSA-N -1 3 197.234 1.623 10 0 ADAEHM CC[C@H](CCC(=O)[O-])C1CN(C)C1 214054170 571709678 /nfs/dbraw/zinc/70/96/78/571709678.db2.gz ADULACNTKIBXMT-MRVPVSSYSA-N -1 3 185.267 1.439 10 0 ADAEHM C[C@H](CCC(=O)[O-])NCc1ccco1 70633068 571711316 /nfs/dbraw/zinc/71/13/16/571711316.db2.gz HILFFHZSUCKZAQ-MRVPVSSYSA-N -1 3 197.234 1.623 10 0 ADAEHM O=S1(=O)CCCc2cccc([O-])c21 214104285 571717187 /nfs/dbraw/zinc/71/71/87/571717187.db2.gz NNNRGEHLYIKJDX-UHFFFAOYSA-N -1 3 198.243 1.112 10 0 ADAEHM C[C@@H]1C[C@H]1NCc1occc1C(=O)[O-] 235281331 571717960 /nfs/dbraw/zinc/71/79/60/571717960.db2.gz WLVXGVXMQSHHOQ-HTRCEHHLSA-N -1 3 195.218 1.476 10 0 ADAEHM CN1CC([C@@H](C(=O)[O-])C2CCCC2)C1 214197588 571729581 /nfs/dbraw/zinc/72/95/81/571729581.db2.gz FEQZNAFCYQVLTK-JTQLQIEISA-N -1 3 197.278 1.439 10 0 ADAEHM C[C@@H](N)C(=O)c1cc([O-])ccc1Cl 214195753 571730163 /nfs/dbraw/zinc/73/01/63/571730163.db2.gz QHFBOQUEXJNDEE-RXMQYKEDSA-N -1 3 199.637 1.576 10 0 ADAEHM CN1CC([C@@H](CC(=O)[O-])C2CCC2)C1 214199379 571730257 /nfs/dbraw/zinc/73/02/57/571730257.db2.gz KPKBAPKASJTGHH-JTQLQIEISA-N -1 3 197.278 1.439 10 0 ADAEHM CCO[C@H](C)c1ncc(C(=O)OC)[n-]1 70833181 571731313 /nfs/dbraw/zinc/73/13/13/571731313.db2.gz YQVBMVCDVWMPIU-ZCFIWIBFSA-N -1 3 198.222 1.294 10 0 ADAEHM CCO[C@H](C)c1nc(C(=O)OC)c[n-]1 70833181 571731314 /nfs/dbraw/zinc/73/13/14/571731314.db2.gz YQVBMVCDVWMPIU-ZCFIWIBFSA-N -1 3 198.222 1.294 10 0 ADAEHM CCO[C@@H](C)c1ncc(C(=O)OC)[n-]1 70833177 571730590 /nfs/dbraw/zinc/73/05/90/571730590.db2.gz YQVBMVCDVWMPIU-LURJTMIESA-N -1 3 198.222 1.294 10 0 ADAEHM CCO[C@@H](C)c1nc(C(=O)OC)c[n-]1 70833177 571730594 /nfs/dbraw/zinc/73/05/94/571730594.db2.gz YQVBMVCDVWMPIU-LURJTMIESA-N -1 3 198.222 1.294 10 0 ADAEHM Cc1c(Cl)ccc([O-])c1C(=O)CN 214195139 571730916 /nfs/dbraw/zinc/73/09/16/571730916.db2.gz IBMHOQNNVPQNEB-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM CC(=O)Nc1ccc([O-])cc1C=O 214197003 571731264 /nfs/dbraw/zinc/73/12/64/571731264.db2.gz PFNZEZIGPALFKZ-UHFFFAOYSA-N -1 3 179.175 1.163 10 0 ADAEHM CN1CC([C@H](CC(=O)[O-])C2CCC2)C1 214199430 571731286 /nfs/dbraw/zinc/73/12/86/571731286.db2.gz KPKBAPKASJTGHH-SNVBAGLBSA-N -1 3 197.278 1.439 10 0 ADAEHM CN1CC([C@H](C(=O)[O-])C2CCCC2)C1 214197528 571731407 /nfs/dbraw/zinc/73/14/07/571731407.db2.gz FEQZNAFCYQVLTK-SNVBAGLBSA-N -1 3 197.278 1.439 10 0 ADAEHM CN1CC([C@@H](CCC(=O)[O-])C2CC2)C1 214199245 571731640 /nfs/dbraw/zinc/73/16/40/571731640.db2.gz KFRLUVSZUVXNJC-JTQLQIEISA-N -1 3 197.278 1.439 10 0 ADAEHM O=C1COc2c(Cl)cc([O-])cc2N1 214194119 571731478 /nfs/dbraw/zinc/73/14/78/571731478.db2.gz ZAJCEVPXVZVMAX-UHFFFAOYSA-N -1 3 199.593 1.377 10 0 ADAEHM C[C@H](N)C(=O)c1cc([O-])ccc1Cl 214195704 571731855 /nfs/dbraw/zinc/73/18/55/571731855.db2.gz QHFBOQUEXJNDEE-YFKPBYRVSA-N -1 3 199.637 1.576 10 0 ADAEHM CN1CC([C@H](CCC(=O)[O-])C2CC2)C1 214199304 571731889 /nfs/dbraw/zinc/73/18/89/571731889.db2.gz KFRLUVSZUVXNJC-SNVBAGLBSA-N -1 3 197.278 1.439 10 0 ADAEHM CCOC(=O)CCc1ccncc1[O-] 140244611 571733260 /nfs/dbraw/zinc/73/32/60/571733260.db2.gz AUXFQWLNRZVHJC-UHFFFAOYSA-N -1 3 195.218 1.283 10 0 ADAEHM C[C@@]1(C2=CCCCC2)NC(=O)[N-]C1=O 196064560 571738216 /nfs/dbraw/zinc/73/82/16/571738216.db2.gz LZOAZICJHYWORK-JTQLQIEISA-N -1 3 194.234 1.085 10 0 ADAEHM C[C@]1(C2=CCCCC2)NC(=O)[N-]C1=O 196064569 571738415 /nfs/dbraw/zinc/73/84/15/571738415.db2.gz LZOAZICJHYWORK-SNVBAGLBSA-N -1 3 194.234 1.085 10 0 ADAEHM [O-]c1cccc2c1NC(=S)NC2 214242507 571739787 /nfs/dbraw/zinc/73/97/87/571739787.db2.gz RROCRYUOCQXCNV-UHFFFAOYSA-N -1 3 180.232 1.192 10 0 ADAEHM COc1ccc(C(C)=N)c([O-])c1 24862803 571741963 /nfs/dbraw/zinc/74/19/63/571741963.db2.gz XHQQCJGECSGAJS-UHFFFAOYSA-N -1 3 165.192 1.789 10 0 ADAEHM COc1c([O-])ccc2c1CCC2=O 196077240 571742774 /nfs/dbraw/zinc/74/27/74/571742774.db2.gz QJSOVRQFDMVASH-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM CC(C)[C@@H](CCC(=O)[O-])C1CN(C)C1 214292685 571745085 /nfs/dbraw/zinc/74/50/85/571745085.db2.gz KXZVOSRGWUWQFZ-SNVBAGLBSA-N -1 3 199.294 1.685 10 0 ADAEHM [O-]c1cccc2c1COC(=S)O2 214299133 571744682 /nfs/dbraw/zinc/74/46/82/571744682.db2.gz UVQNBFBWZWQAPM-UHFFFAOYSA-N -1 3 182.200 1.586 10 0 ADAEHM Cc1cc([N-]C(=O)c2ccno2)on1 13597082 571744744 /nfs/dbraw/zinc/74/47/44/571744744.db2.gz FJANGNALGXUROW-UHFFFAOYSA-N -1 3 193.162 1.223 10 0 ADAEHM CC(C)[C@H](CCC(=O)[O-])C1CN(C)C1 214292737 571745161 /nfs/dbraw/zinc/74/51/61/571745161.db2.gz KXZVOSRGWUWQFZ-JTQLQIEISA-N -1 3 199.294 1.685 10 0 ADAEHM CCc1ccc([O-])c(C=O)n1 140997379 571746007 /nfs/dbraw/zinc/74/60/07/571746007.db2.gz MPANAPUWSLRXGJ-UHFFFAOYSA-N -1 3 151.165 1.162 10 0 ADAEHM CC(=O)c1cc2nc(C)[nH]c2cc1[O-] 204974871 571746604 /nfs/dbraw/zinc/74/66/04/571746604.db2.gz FMPFCBFEDQIXCV-UHFFFAOYSA-N -1 3 190.202 1.780 10 0 ADAEHM CC[C@@H](C)Oc1cc(=O)[n-]c(C)n1 233854972 571747245 /nfs/dbraw/zinc/74/72/45/571747245.db2.gz QMZZDDHCUVBGQY-ZCFIWIBFSA-N -1 3 182.223 1.668 10 0 ADAEHM C[C@@H]1C[C@@H]1NCc1occc1C(=O)[O-] 235299687 571747258 /nfs/dbraw/zinc/74/72/58/571747258.db2.gz WLVXGVXMQSHHOQ-SVRRBLITSA-N -1 3 195.218 1.476 10 0 ADAEHM CC[C@H]1CC([O-])=NO1 140833190 571747484 /nfs/dbraw/zinc/74/74/84/571747484.db2.gz YGJPWMLGISMJJS-BYPYZUCNSA-N -1 3 115.132 1.057 10 0 ADAEHM CC[C@H]1CC(=O)[N-]O1 140833190 571747486 /nfs/dbraw/zinc/74/74/86/571747486.db2.gz YGJPWMLGISMJJS-BYPYZUCNSA-N -1 3 115.132 1.057 10 0 ADAEHM Cc1ncc2c(c1[O-])COCOC2 140865185 571747706 /nfs/dbraw/zinc/74/77/06/571747706.db2.gz YJSRGCIKKTVSAW-UHFFFAOYSA-N -1 3 181.191 1.100 10 0 ADAEHM c1ccc(-c2nc3ncc[n-]c-3n2)nc1 13679501 571748864 /nfs/dbraw/zinc/74/88/64/571748864.db2.gz SEABXDNEUDFMBH-UHFFFAOYSA-N -1 3 197.201 1.415 10 0 ADAEHM c1ccc(-c2nc3nccnc3[n-]2)nc1 13679501 571748870 /nfs/dbraw/zinc/74/88/70/571748870.db2.gz SEABXDNEUDFMBH-UHFFFAOYSA-N -1 3 197.201 1.415 10 0 ADAEHM CSCC[C@H]1C[N-]C(=S)O1 205022091 571749356 /nfs/dbraw/zinc/74/93/56/571749356.db2.gz ISSUALGYVRWZCN-YFKPBYRVSA-N -1 3 177.294 1.013 10 0 ADAEHM CC=Cc1nc(C)cc(=O)[n-]1 205004094 571750366 /nfs/dbraw/zinc/75/03/66/571750366.db2.gz GLMMJXOOQMGSFW-ONEGZZNKSA-N -1 3 150.181 1.111 10 0 ADAEHM O=c1[n-]c(Nc2ccccc2)n[nH]1 25490371 571751044 /nfs/dbraw/zinc/75/10/44/571751044.db2.gz QOFNXXZGDUTFQW-UHFFFAOYSA-N -1 3 176.179 1.254 10 0 ADAEHM CCO[N-]C(=O)Cc1ccccc1 38220614 571751288 /nfs/dbraw/zinc/75/12/88/571751288.db2.gz UGTAPAKUQRFZTI-UHFFFAOYSA-N -1 3 179.219 1.297 10 0 ADAEHM CCCCc1c(C)nc(NC)[n-]c1=O 25489064 571751361 /nfs/dbraw/zinc/75/13/61/571751361.db2.gz JWIZIVMJNNLDNP-UHFFFAOYSA-N -1 3 195.266 1.463 10 0 ADAEHM O=S1(=O)C=Cc2c([O-])cccc21 205011540 571751480 /nfs/dbraw/zinc/75/14/80/571751480.db2.gz FLYZXYGDKLWUGL-UHFFFAOYSA-N -1 3 182.200 1.150 10 0 ADAEHM CSCC[C@@H]1C[N-]C(=S)O1 205022068 571752444 /nfs/dbraw/zinc/75/24/44/571752444.db2.gz ISSUALGYVRWZCN-RXMQYKEDSA-N -1 3 177.294 1.013 10 0 ADAEHM CN(C)[C@H](CC(=O)[O-])c1ccsc1 70821910 571758873 /nfs/dbraw/zinc/75/88/73/571758873.db2.gz NKXSUEZWLWXCES-MRVPVSSYSA-N -1 3 199.275 1.826 10 0 ADAEHM CC1CCN(c2nccc(=O)[n-]2)CC1 1281301 571758964 /nfs/dbraw/zinc/75/89/64/571758964.db2.gz YOMACHKIBZMFLC-UHFFFAOYSA-N -1 3 193.250 1.006 10 0 ADAEHM CN(C)[C@@H](CC(=O)[O-])c1ccsc1 70821909 571759244 /nfs/dbraw/zinc/75/92/44/571759244.db2.gz NKXSUEZWLWXCES-QMMMGPOBSA-N -1 3 199.275 1.826 10 0 ADAEHM NCc1coc2cccc(C(=O)[O-])c12 214622749 571763786 /nfs/dbraw/zinc/76/37/86/571763786.db2.gz JZHZEAAJBASWBM-UHFFFAOYSA-N -1 3 191.186 1.590 10 0 ADAEHM NCc1coc2cc(C(=O)[O-])ccc12 214622670 571766376 /nfs/dbraw/zinc/76/63/76/571766376.db2.gz NFASFXMZCOXANR-UHFFFAOYSA-N -1 3 191.186 1.590 10 0 ADAEHM CCNCc1nc(C(C)C)cc(=O)[n-]1 70948909 571767181 /nfs/dbraw/zinc/76/71/81/571767181.db2.gz BMZQOLUDNXVCDF-UHFFFAOYSA-N -1 3 195.266 1.003 10 0 ADAEHM CCOC(=O)c1nc([C@@H]2C[C@@H]2C)n[n-]1 71048979 571767211 /nfs/dbraw/zinc/76/72/11/571767211.db2.gz LVBJCQPFVACHJG-NTSWFWBYSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nnc([C@@H]2C[C@@H]2C)[n-]1 71048979 571767214 /nfs/dbraw/zinc/76/72/14/571767214.db2.gz LVBJCQPFVACHJG-NTSWFWBYSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]c([C@@H]2C[C@@H]2C)n1 71048979 571767215 /nfs/dbraw/zinc/76/72/15/571767215.db2.gz LVBJCQPFVACHJG-NTSWFWBYSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nc(C2CCC2)n[n-]1 71049013 571767703 /nfs/dbraw/zinc/76/77/03/571767703.db2.gz DBECNTOFALRUJN-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CCOC(=O)c1nnc(C2CCC2)[n-]1 71049013 571767706 /nfs/dbraw/zinc/76/77/06/571767706.db2.gz DBECNTOFALRUJN-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CCOC(=O)c1n[n-]c(C2CCC2)n1 71049013 571767712 /nfs/dbraw/zinc/76/77/12/571767712.db2.gz DBECNTOFALRUJN-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CCC[C@H](N)c1nc(CC)cc(=O)[n-]1 70948075 571768048 /nfs/dbraw/zinc/76/80/48/571768048.db2.gz SLAQQFGLPCHUHP-QMMMGPOBSA-N -1 3 195.266 1.132 10 0 ADAEHM CCOC(=O)c1nc([C@@H]2C[C@H]2C)n[n-]1 71048983 571769227 /nfs/dbraw/zinc/76/92/27/571769227.db2.gz LVBJCQPFVACHJG-PHDIDXHHSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nc([C@H](C)CC)n[n-]1 71048957 571768230 /nfs/dbraw/zinc/76/82/30/571768230.db2.gz RLJHEFMHGGJSDQ-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1nnc([C@H](C)CC)[n-]1 71048957 571768234 /nfs/dbraw/zinc/76/82/34/571768234.db2.gz RLJHEFMHGGJSDQ-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1n[n-]c([C@H](C)CC)n1 71048957 571768238 /nfs/dbraw/zinc/76/82/38/571768238.db2.gz RLJHEFMHGGJSDQ-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCN(C)Cc1ccc(C(=O)[O-])s1 71026318 571768531 /nfs/dbraw/zinc/76/85/31/571768531.db2.gz MSQBBFODICOBMF-UHFFFAOYSA-N -1 3 199.275 1.898 10 0 ADAEHM CCOC(=O)c1nc([C@@H](C)CC)n[n-]1 71048959 571769763 /nfs/dbraw/zinc/76/97/63/571769763.db2.gz RLJHEFMHGGJSDQ-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1nc([C@H]2C[C@@H]2C)n[n-]1 71048982 571768767 /nfs/dbraw/zinc/76/87/67/571768767.db2.gz LVBJCQPFVACHJG-WDSKDSINSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nnc([C@H]2C[C@@H]2C)[n-]1 71048982 571768771 /nfs/dbraw/zinc/76/87/71/571768771.db2.gz LVBJCQPFVACHJG-WDSKDSINSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]c([C@H]2C[C@@H]2C)n1 71048982 571768776 /nfs/dbraw/zinc/76/87/76/571768776.db2.gz LVBJCQPFVACHJG-WDSKDSINSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nnc([C@@H](C)CC)[n-]1 71048959 571769766 /nfs/dbraw/zinc/76/97/66/571769766.db2.gz RLJHEFMHGGJSDQ-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1n[n-]c([C@@H](C)CC)n1 71048959 571769769 /nfs/dbraw/zinc/76/97/69/571769769.db2.gz RLJHEFMHGGJSDQ-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1nnc([C@@H]2C[C@H]2C)[n-]1 71048983 571769232 /nfs/dbraw/zinc/76/92/32/571769232.db2.gz LVBJCQPFVACHJG-PHDIDXHHSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]c([C@@H]2C[C@H]2C)n1 71048983 571769237 /nfs/dbraw/zinc/76/92/37/571769237.db2.gz LVBJCQPFVACHJG-PHDIDXHHSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nc([C@H]2C[C@H]2C)n[n-]1 71049005 571770228 /nfs/dbraw/zinc/77/02/28/571770228.db2.gz LVBJCQPFVACHJG-RITPCOANSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nnc([C@H]2C[C@H]2C)[n-]1 71049005 571770232 /nfs/dbraw/zinc/77/02/32/571770232.db2.gz LVBJCQPFVACHJG-RITPCOANSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]c([C@H]2C[C@H]2C)n1 71049005 571770236 /nfs/dbraw/zinc/77/02/36/571770236.db2.gz LVBJCQPFVACHJG-RITPCOANSA-N -1 3 195.222 1.105 10 0 ADAEHM CCC[C@@H](N)c1nc(CC)cc(=O)[n-]1 70948079 571770264 /nfs/dbraw/zinc/77/02/64/571770264.db2.gz SLAQQFGLPCHUHP-MRVPVSSYSA-N -1 3 195.266 1.132 10 0 ADAEHM CN1CC=C(CCC(=O)[O-])CC1 26737859 571772449 /nfs/dbraw/zinc/77/24/49/571772449.db2.gz DTWUHXISNLMROF-UHFFFAOYSA-N -1 3 169.224 1.113 10 0 ADAEHM CN(C)CC(=O)c1cc(F)ccc1[O-] 37333604 571772892 /nfs/dbraw/zinc/77/28/92/571772892.db2.gz ABRGRUCIFFHUQD-UHFFFAOYSA-N -1 3 197.209 1.276 10 0 ADAEHM NC(=O)Cc1cc([O-])cc(Cl)c1 116771011 571775495 /nfs/dbraw/zinc/77/54/95/571775495.db2.gz NFKNJHXWMJWWHR-UHFFFAOYSA-N -1 3 185.610 1.073 10 0 ADAEHM CCc1c(-c2ccc[nH]2)nc[n-]c1=O 234146399 571779038 /nfs/dbraw/zinc/77/90/38/571779038.db2.gz VLUUPWRBNXQXGX-UHFFFAOYSA-N -1 3 189.218 1.327 10 0 ADAEHM CCc1c(-c2ccco2)nc[n-]c1=O 234147873 571779853 /nfs/dbraw/zinc/77/98/53/571779853.db2.gz XAXYYQJRQQNPCG-UHFFFAOYSA-N -1 3 190.202 1.592 10 0 ADAEHM CCc1c(-c2ccoc2)nc[n-]c1=O 234148213 571780611 /nfs/dbraw/zinc/78/06/11/571780611.db2.gz QGQHNMAKRFDMGP-UHFFFAOYSA-N -1 3 190.202 1.592 10 0 ADAEHM CCc1cc(=S)[n-]c(C(=O)OC)n1 234144680 571781004 /nfs/dbraw/zinc/78/10/04/571781004.db2.gz CHTIINYYCFFFAO-UHFFFAOYSA-N -1 3 198.247 1.114 10 0 ADAEHM C[C@H](CC(=O)[O-])Nc1ccncc1 37453183 571781281 /nfs/dbraw/zinc/78/12/81/571781281.db2.gz RYCBJRDRUDYUGH-SSDOTTSWSA-N -1 3 180.207 1.357 10 0 ADAEHM CCCC(=O)C=C([O-])C(F)F 113676010 571783653 /nfs/dbraw/zinc/78/36/53/571783653.db2.gz UEDDLAPIZJCDCM-UHFFFAOYSA-N -1 3 164.151 1.580 10 0 ADAEHM CCCC([O-])=CC(=O)C(F)F 113676010 571783658 /nfs/dbraw/zinc/78/36/58/571783658.db2.gz UEDDLAPIZJCDCM-UHFFFAOYSA-N -1 3 164.151 1.580 10 0 ADAEHM COC(=O)N([O-])C[C@H]1CC=CCC1 39129493 571784183 /nfs/dbraw/zinc/78/41/83/571784183.db2.gz ZHVWBOXIGFWSJG-QMMMGPOBSA-N -1 3 185.223 1.800 10 0 ADAEHM CC[C@H]1C[C@@H]1n1c(CO)n[n-]c1=S 234167026 571785734 /nfs/dbraw/zinc/78/57/34/571785734.db2.gz CEVYHWOYBARIBN-WDSKDSINSA-N -1 3 199.279 1.030 10 0 ADAEHM NC(=O)Sc1ccc([O-])cc1 2000683 571786965 /nfs/dbraw/zinc/78/69/65/571786965.db2.gz CWDSCOFTWICACB-UHFFFAOYSA-N -1 3 169.205 1.563 10 0 ADAEHM Cc1ccc2c(c1F)C(=O)C(=O)[N-]2 140134200 571787626 /nfs/dbraw/zinc/78/76/26/571787626.db2.gz QKPYRSCPOOBXEJ-UHFFFAOYSA-N -1 3 179.150 1.269 10 0 ADAEHM CCc1nc(OC(C)(C)C)cc(=O)[n-]1 234162587 571787842 /nfs/dbraw/zinc/78/78/42/571787842.db2.gz ZTBCYWHSPTYASG-UHFFFAOYSA-N -1 3 196.250 1.510 10 0 ADAEHM CCCc1cc(=O)[n-]c([C@@H](N)CC)n1 71396798 571788516 /nfs/dbraw/zinc/78/85/16/571788516.db2.gz WVBZRNYEPPBUEB-QMMMGPOBSA-N -1 3 195.266 1.132 10 0 ADAEHM CC(=O)Nc1ccc2c([O-])coc2c1 140263023 571789075 /nfs/dbraw/zinc/78/90/75/571789075.db2.gz ALIIAYWLXQCOJB-UHFFFAOYSA-N -1 3 191.186 1.220 10 0 ADAEHM CCCc1cc(=O)[n-]c([C@H](N)CC)n1 71396797 571789569 /nfs/dbraw/zinc/78/95/69/571789569.db2.gz WVBZRNYEPPBUEB-MRVPVSSYSA-N -1 3 195.266 1.132 10 0 ADAEHM COCc1cccc([O-])c1F 140228242 571790117 /nfs/dbraw/zinc/79/01/17/571790117.db2.gz DJJRAGIPTZFGCH-UHFFFAOYSA-N -1 3 156.156 1.678 10 0 ADAEHM Nc1ccc(-c2nnco2)c([O-])c1 2036028 571790149 /nfs/dbraw/zinc/79/01/49/571790149.db2.gz VYIMUOIZSQJMFV-UHFFFAOYSA-N -1 3 177.163 1.024 10 0 ADAEHM Cc1cc(Cl)cc(C(N)=O)c1[O-] 2006874 571790354 /nfs/dbraw/zinc/79/03/54/571790354.db2.gz CDUYYXSMTAZNGT-UHFFFAOYSA-N -1 3 185.610 1.453 10 0 ADAEHM Cc1nc2c(=S)[nH]c(=S)[n-]c2[nH]1 37637594 571792362 /nfs/dbraw/zinc/79/23/62/571792362.db2.gz SWBCVGNMIQHLLV-UHFFFAOYSA-N -1 3 198.276 1.613 10 0 ADAEHM Cc1cc(CNO)cc(Cl)c1[O-] 214505048 571795752 /nfs/dbraw/zinc/79/57/52/571795752.db2.gz NJWDATSLDVBWBX-UHFFFAOYSA-N -1 3 187.626 1.833 10 0 ADAEHM C=Cc1ccc([C@@](C)(N)C(=O)[O-])cc1 140294982 571794766 /nfs/dbraw/zinc/79/47/66/571794766.db2.gz NXOPANOFUHJMOQ-LLVKDONJSA-N -1 3 191.230 1.588 10 0 ADAEHM C=Cc1ccc([C@](C)(N)C(=O)[O-])cc1 140295130 571795869 /nfs/dbraw/zinc/79/58/69/571795869.db2.gz NXOPANOFUHJMOQ-NSHDSACASA-N -1 3 191.230 1.588 10 0 ADAEHM Cc1cc([O-])cc(CNO)c1Cl 214505461 571795944 /nfs/dbraw/zinc/79/59/44/571795944.db2.gz MHXLWCVRNXQEOM-UHFFFAOYSA-N -1 3 187.626 1.833 10 0 ADAEHM COc1c(CN)ccc([O-])c1Cl 214506074 571797217 /nfs/dbraw/zinc/79/72/17/571797217.db2.gz YHSFLNMFRMSEBN-UHFFFAOYSA-N -1 3 187.626 1.513 10 0 ADAEHM Cc1cc(Cl)c([O-])cc1CNO 214505294 571798467 /nfs/dbraw/zinc/79/84/67/571798467.db2.gz YKKUAMKFVOBDRQ-UHFFFAOYSA-N -1 3 187.626 1.833 10 0 ADAEHM CCc1cc(=O)[n-]c(C2CCCC2)n1 37756660 571799107 /nfs/dbraw/zinc/79/91/07/571799107.db2.gz QKFGIVYMLTXKNF-UHFFFAOYSA-N -1 3 192.262 1.990 10 0 ADAEHM Cc1cc([C@H](N)CC(=O)[O-])oc1C 2597513 571801817 /nfs/dbraw/zinc/80/18/17/571801817.db2.gz ADBDACGMROCLJH-SSDOTTSWSA-N -1 3 183.207 1.371 10 0 ADAEHM [O-]c1cc(CO)cc2occc12 73739849 571802590 /nfs/dbraw/zinc/80/25/90/571802590.db2.gz YNJWYPNIPWIIQG-UHFFFAOYSA-N -1 3 164.160 1.631 10 0 ADAEHM Cc1nc(C=O)nc2c([O-])cccc12 214514063 571807755 /nfs/dbraw/zinc/80/77/55/571807755.db2.gz SDOPFIDVGATGSG-UHFFFAOYSA-N -1 3 188.186 1.456 10 0 ADAEHM CP(C)(=O)c1ccc([O-])cc1 3165275 571808679 /nfs/dbraw/zinc/80/86/79/571808679.db2.gz ZYISJOKOKGHGCC-UHFFFAOYSA-N -1 3 170.148 1.640 10 0 ADAEHM Cc1nc(C=O)nc2ccc([O-])cc12 214513909 571809493 /nfs/dbraw/zinc/80/94/93/571809493.db2.gz DXIJQEISZHRXBH-UHFFFAOYSA-N -1 3 188.186 1.456 10 0 ADAEHM CCCC(=O)[N-]OC1CCCC1 74581174 571813221 /nfs/dbraw/zinc/81/32/21/571813221.db2.gz DKPKDCCQBUAGMI-UHFFFAOYSA-N -1 3 171.240 1.777 10 0 ADAEHM [O-]c1cnccc1-c1ncc[nH]1 3820070 571814996 /nfs/dbraw/zinc/81/49/96/571814996.db2.gz LRXGACCJGRIMRR-UHFFFAOYSA-N -1 3 161.164 1.177 10 0 ADAEHM N[C@@](C(=O)[O-])(c1cccs1)C1CC1 3677452 571815802 /nfs/dbraw/zinc/81/58/02/571815802.db2.gz PTTAXDOKVQEABR-SECBINFHSA-N -1 3 197.259 1.397 10 0 ADAEHM CCC(=O)[N-]C(=O)c1ccccc1 3650049 571815844 /nfs/dbraw/zinc/81/58/44/571815844.db2.gz VNRBTKZHUPUKQZ-UHFFFAOYSA-N -1 3 177.203 1.353 10 0 ADAEHM COc1cc(C)cc([C@@H](N)C(=O)[O-])c1 3676886 571816536 /nfs/dbraw/zinc/81/65/36/571816536.db2.gz CRINTTRTEYBAQC-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1cc(C)cc([C@H](N)C(=O)[O-])c1 3676885 571817419 /nfs/dbraw/zinc/81/74/19/571817419.db2.gz CRINTTRTEYBAQC-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM N[C@](C(=O)[O-])(c1cccs1)C1CC1 3677451 571818621 /nfs/dbraw/zinc/81/86/21/571818621.db2.gz PTTAXDOKVQEABR-VIFPVBQESA-N -1 3 197.259 1.397 10 0 ADAEHM COC(=O)[C@@H]1C([O-])=C(C)C(=O)C[C@@H]1C 402287 571823844 /nfs/dbraw/zinc/82/38/44/571823844.db2.gz GRUZVKBJCPADAL-XNCJUZBTSA-N -1 3 198.218 1.217 10 0 ADAEHM COC(=O)[C@@H]1C(=O)C(C)=C([O-])C[C@@H]1C 402287 571823845 /nfs/dbraw/zinc/82/38/45/571823845.db2.gz GRUZVKBJCPADAL-XNCJUZBTSA-N -1 3 198.218 1.217 10 0 ADAEHM C=C(Cl)CNCCCC(=O)[O-] 35423322 571823669 /nfs/dbraw/zinc/82/36/69/571823669.db2.gz DDDHETODJBCZEH-UHFFFAOYSA-N -1 3 177.631 1.193 10 0 ADAEHM CCOC(=O)c1cnc(SC)[n-]1 75313830 571821302 /nfs/dbraw/zinc/82/13/02/571821302.db2.gz CBTXIWGJLWXYGR-UHFFFAOYSA-N -1 3 186.236 1.308 10 0 ADAEHM CCOC(=O)c1c[n-]c(SC)n1 75313830 571821309 /nfs/dbraw/zinc/82/13/09/571821309.db2.gz CBTXIWGJLWXYGR-UHFFFAOYSA-N -1 3 186.236 1.308 10 0 ADAEHM C/C(=C/CNCc1ccoc1)C(=O)[O-] 235756911 571823363 /nfs/dbraw/zinc/82/33/63/571823363.db2.gz OSXRYRGFJWQXHP-WAPJZHGLSA-N -1 3 195.218 1.400 10 0 ADAEHM CCSc1nc(=O)[n-]c2c1CCC2 4316907 571823939 /nfs/dbraw/zinc/82/39/39/571823939.db2.gz SSIJWYWAGUOYSL-UHFFFAOYSA-N -1 3 196.275 1.371 10 0 ADAEHM COC(=O)[C@H]1C([O-])=C(C)C(=O)C[C@@H]1C 402289 571823989 /nfs/dbraw/zinc/82/39/89/571823989.db2.gz GRUZVKBJCPADAL-YLWLKBPMSA-N -1 3 198.218 1.217 10 0 ADAEHM COC(=O)[C@H]1C(=O)C(C)=C([O-])C[C@@H]1C 402289 571823993 /nfs/dbraw/zinc/82/39/93/571823993.db2.gz GRUZVKBJCPADAL-YLWLKBPMSA-N -1 3 198.218 1.217 10 0 ADAEHM COC(=O)[C@@H]1C([O-])=C(C)C(=O)C[C@H]1C 402288 571825655 /nfs/dbraw/zinc/82/56/55/571825655.db2.gz GRUZVKBJCPADAL-XRGYYRRGSA-N -1 3 198.218 1.217 10 0 ADAEHM COC(=O)[C@@H]1C(=O)C(C)=C([O-])C[C@H]1C 402288 571825659 /nfs/dbraw/zinc/82/56/59/571825659.db2.gz GRUZVKBJCPADAL-XRGYYRRGSA-N -1 3 198.218 1.217 10 0 ADAEHM COC(=O)[C@H]1C([O-])=C(C)C(=O)C[C@H]1C 402290 571825849 /nfs/dbraw/zinc/82/58/49/571825849.db2.gz GRUZVKBJCPADAL-SVGQVSJJSA-N -1 3 198.218 1.217 10 0 ADAEHM COC(=O)[C@H]1C(=O)C(C)=C([O-])C[C@H]1C 402290 571825853 /nfs/dbraw/zinc/82/58/53/571825853.db2.gz GRUZVKBJCPADAL-SVGQVSJJSA-N -1 3 198.218 1.217 10 0 ADAEHM CCc1nc(-c2ccc[nH]2)cc(=O)[n-]1 234209214 571826464 /nfs/dbraw/zinc/82/64/64/571826464.db2.gz OAUUFMBVZXTLOG-UHFFFAOYSA-N -1 3 189.218 1.327 10 0 ADAEHM Cc1cc([O-])c(Cl)nc1N 35569737 571828283 /nfs/dbraw/zinc/82/82/83/571828283.db2.gz IXVFZZJIAFBJDT-UHFFFAOYSA-N -1 3 158.588 1.331 10 0 ADAEHM COCC(=N)c1ccc(O)cc1[O-] 5115646 571831274 /nfs/dbraw/zinc/83/12/74/571831274.db2.gz FZDPESNBKUCSLO-UHFFFAOYSA-N -1 3 181.191 1.112 10 0 ADAEHM S=c1[nH]ccc2[n-]nnc12 5085359 571831656 /nfs/dbraw/zinc/83/16/56/571831656.db2.gz VSHGBOVPZHZJMJ-UHFFFAOYSA-N -1 3 152.182 1.015 10 0 ADAEHM S=c1[nH]ccc2n[n-]nc12 5085359 571831661 /nfs/dbraw/zinc/83/16/61/571831661.db2.gz VSHGBOVPZHZJMJ-UHFFFAOYSA-N -1 3 152.182 1.015 10 0 ADAEHM CCOC(=O)c1c(Cl)n[n-]c1C 169111125 571835143 /nfs/dbraw/zinc/83/51/43/571835143.db2.gz LIHVTQMONBOMIE-UHFFFAOYSA-N -1 3 188.614 1.548 10 0 ADAEHM S=C1[N-]C2(CCCCC2)CO1 5282828 571836720 /nfs/dbraw/zinc/83/67/20/571836720.db2.gz CHXUBRDWMGLWFP-UHFFFAOYSA-N -1 3 171.265 1.594 10 0 ADAEHM CCc1nc(-c2ccoc2)cc(=O)[n-]1 234217617 571836785 /nfs/dbraw/zinc/83/67/85/571836785.db2.gz CVXHQKXCPRVYIP-UHFFFAOYSA-N -1 3 190.202 1.592 10 0 ADAEHM Cc1nc2ccc([O-])c(C)c2oc1=O 38234876 571837973 /nfs/dbraw/zinc/83/79/73/571837973.db2.gz QDFNXZKYQYBAOF-UHFFFAOYSA-N -1 3 191.186 1.510 10 0 ADAEHM CCSc1ncccc1[O-] 5327661 571838399 /nfs/dbraw/zinc/83/83/99/571838399.db2.gz NLNJHNDTLASADV-UHFFFAOYSA-N -1 3 155.222 1.899 10 0 ADAEHM C[N-]C(=S)O[C@H]1C=CCCC1 38251257 571838692 /nfs/dbraw/zinc/83/86/92/571838692.db2.gz AZBQTGXYOMRZKK-ZETCQYMHSA-N -1 3 171.265 1.616 10 0 ADAEHM C[N-]C(=S)O[C@@H]1C=CCCC1 38251258 571840420 /nfs/dbraw/zinc/84/04/20/571840420.db2.gz AZBQTGXYOMRZKK-SSDOTTSWSA-N -1 3 171.265 1.616 10 0 ADAEHM CCc1[nH][nH]c2ccc([O-])c1-2 28226499 571840818 /nfs/dbraw/zinc/84/08/18/571840818.db2.gz SGZBSVWANATIKE-UHFFFAOYSA-N -1 3 150.181 1.101 10 0 ADAEHM CCCCOC(=S)[N-]C 5513952 571840838 /nfs/dbraw/zinc/84/08/38/571840838.db2.gz DJFNWCMRLYVRNG-UHFFFAOYSA-N -1 3 147.243 1.307 10 0 ADAEHM [O-]c1cccc2c(CCO)coc12 38312389 571840943 /nfs/dbraw/zinc/84/09/43/571840943.db2.gz GIZTWRONFVXITP-UHFFFAOYSA-N -1 3 178.187 1.673 10 0 ADAEHM Cc1ncc2c(c1[O-])CO[C@@H]2C 5488020 571841122 /nfs/dbraw/zinc/84/11/22/571841122.db2.gz WPRNMWVODLENAP-ZCFIWIBFSA-N -1 3 165.192 1.687 10 0 ADAEHM [O-]c1c(Cl)cc(O)cc1CCO 38292942 571842743 /nfs/dbraw/zinc/84/27/43/571842743.db2.gz GHHCPBRFKRDGRY-UHFFFAOYSA-N -1 3 188.610 1.286 10 0 ADAEHM CC(C)c1c(Cl)[nH]c(=O)[n-]c1=O 38283339 571842805 /nfs/dbraw/zinc/84/28/05/571842805.db2.gz GLBCFUYOCLYVEN-UHFFFAOYSA-N -1 3 188.614 1.252 10 0 ADAEHM CN(C)Cc1ccc(C(=O)[O-])c(O)c1 143902358 571843100 /nfs/dbraw/zinc/84/31/00/571843100.db2.gz SBKFFPUQWWQKSK-UHFFFAOYSA-N -1 3 195.218 1.152 10 0 ADAEHM N[C@@H](c1ccccc1)[C@H](F)C(=O)[O-] 38338718 571844064 /nfs/dbraw/zinc/84/40/64/571844064.db2.gz LWGILYFFIDKASG-YUMQZZPRSA-N -1 3 183.182 1.109 10 0 ADAEHM c1ccc([N-]c2nccnn2)nc1 38324953 571844431 /nfs/dbraw/zinc/84/44/31/571844431.db2.gz IEOBJLSTZVEHKQ-UHFFFAOYSA-N -1 3 173.179 1.010 10 0 ADAEHM COc1ccc([O-])c2ccc(=O)oc12 38434719 571848405 /nfs/dbraw/zinc/84/84/05/571848405.db2.gz WGXILWKMBRZBIB-UHFFFAOYSA-N -1 3 192.170 1.507 10 0 ADAEHM CC(=O)[N-]C(=O)c1ccc(C)cc1 5698619 571845129 /nfs/dbraw/zinc/84/51/29/571845129.db2.gz JBKRKCXRVLDGMG-UHFFFAOYSA-N -1 3 177.203 1.271 10 0 ADAEHM S=C1[N-]CC2(CCCCC2)O1 38409867 571846313 /nfs/dbraw/zinc/84/63/13/571846313.db2.gz BGTNPFOWQKFTFM-UHFFFAOYSA-N -1 3 171.265 1.594 10 0 ADAEHM C[N-]C(=S)OCC(C)C 5759302 571846327 /nfs/dbraw/zinc/84/63/27/571846327.db2.gz PVOYFKUVGNEGHT-UHFFFAOYSA-N -1 3 147.243 1.163 10 0 ADAEHM CN(C)Cc1cc(F)ccc1C(=O)[O-] 234236734 571849443 /nfs/dbraw/zinc/84/94/43/571849443.db2.gz IKRBCAAFZBCTJK-UHFFFAOYSA-N -1 3 197.209 1.586 10 0 ADAEHM Cc1cc(=O)n(-c2ccccc2[O-])[nH]1 38476052 571849790 /nfs/dbraw/zinc/84/97/90/571849790.db2.gz RTNRIGKGQLASIJ-UHFFFAOYSA-N -1 3 190.202 1.505 10 0 ADAEHM CCC(=O)c1cc(N)c([O-])cc1O 5836961 571851419 /nfs/dbraw/zinc/85/14/19/571851419.db2.gz BNFRLRBRXRGJPH-UHFFFAOYSA-N -1 3 181.191 1.273 10 0 ADAEHM CC(=O)c1cc([O-])cc(C=O)c1C 38760734 571854343 /nfs/dbraw/zinc/85/43/43/571854343.db2.gz IPCOCTADUOVJNB-UHFFFAOYSA-N -1 3 178.187 1.716 10 0 ADAEHM CC[C@@H]1C[C@@H]1n1c(CO)n[n-]c1=S 233926648 571852340 /nfs/dbraw/zinc/85/23/40/571852340.db2.gz CEVYHWOYBARIBN-RITPCOANSA-N -1 3 199.279 1.030 10 0 ADAEHM CC(=O)c1cc2c(cc1[O-])NC(=O)C2 38584141 571852807 /nfs/dbraw/zinc/85/28/07/571852807.db2.gz LFSDZJMVNBSBFQ-UHFFFAOYSA-N -1 3 191.186 1.089 10 0 ADAEHM [O-]c1cc(O)ccc1-c1nncs1 28712173 571852985 /nfs/dbraw/zinc/85/29/85/571852985.db2.gz QUPUMVWXKQTHMD-UHFFFAOYSA-N -1 3 194.215 1.616 10 0 ADAEHM CC[C@@H]1C[C@H]1n1c(CO)n[n-]c1=S 233925201 571853502 /nfs/dbraw/zinc/85/35/02/571853502.db2.gz CEVYHWOYBARIBN-PHDIDXHHSA-N -1 3 199.279 1.030 10 0 ADAEHM CCC(=O)c1cc(=O)[n-]c(=S)[nH]1 205386480 571853938 /nfs/dbraw/zinc/85/39/38/571853938.db2.gz LTWXHGJCHSTVLS-UHFFFAOYSA-N -1 3 184.220 1.025 10 0 ADAEHM COc1cc([O-])c(C=O)c(OC)c1C 206580236 571854414 /nfs/dbraw/zinc/85/44/14/571854414.db2.gz ATUJNYCVZLLGBG-UHFFFAOYSA-N -1 3 196.202 1.530 10 0 ADAEHM [O-]c1ccccc1/C(Cl)=C\CO 38761135 571854699 /nfs/dbraw/zinc/85/46/99/571854699.db2.gz AZWJSAUNWUVFRT-VMPITWQZSA-N -1 3 184.622 1.964 10 0 ADAEHM CN([O-])C(=O)N(C)c1ccccc1 29048809 571854923 /nfs/dbraw/zinc/85/49/23/571854923.db2.gz GSRXBOYHYVEDAZ-UHFFFAOYSA-N -1 3 180.207 1.564 10 0 ADAEHM CCN(C)Cc1ncccc1C(=O)[O-] 300722343 571856096 /nfs/dbraw/zinc/85/60/96/571856096.db2.gz ALCYNSVDMMWXTH-UHFFFAOYSA-N -1 3 194.234 1.232 10 0 ADAEHM CC(=O)[N-]C(=O)OCc1ccccc1 38844513 571856734 /nfs/dbraw/zinc/85/67/34/571856734.db2.gz IMSURJCYZMGADJ-UHFFFAOYSA-N -1 3 193.202 1.459 10 0 ADAEHM CC(C)CCc1ncc(CO)c(=O)[n-]1 300725280 571857832 /nfs/dbraw/zinc/85/78/32/571857832.db2.gz FPFKAMRACAEBMF-UHFFFAOYSA-N -1 3 196.250 1.263 10 0 ADAEHM COc1cc(N=O)ccc1[O-] 5999116 571858094 /nfs/dbraw/zinc/85/80/94/571858094.db2.gz YJQITTWUTKLYOO-UHFFFAOYSA-N -1 3 153.137 1.799 10 0 ADAEHM N#COc1cccc([O-])c1 138915361 571859276 /nfs/dbraw/zinc/85/92/76/571859276.db2.gz QOPFJRFPSMPCEA-UHFFFAOYSA-N -1 3 135.122 1.252 10 0 ADAEHM N#COc1ccc([O-])cc1 138917716 571860580 /nfs/dbraw/zinc/86/05/80/571860580.db2.gz QBFWREVBCAJCJJ-UHFFFAOYSA-N -1 3 135.122 1.252 10 0 ADAEHM Cc1cc(C)c(OC#N)cc1[O-] 138917838 571861035 /nfs/dbraw/zinc/86/10/35/571861035.db2.gz KVVSSVWMDQSCBU-UHFFFAOYSA-N -1 3 163.176 1.869 10 0 ADAEHM CC(=O)c1ccc2c(c1[O-])CC(=O)N2 38866106 571861273 /nfs/dbraw/zinc/86/12/73/571861273.db2.gz SDAGPXGKFNIDMU-UHFFFAOYSA-N -1 3 191.186 1.089 10 0 ADAEHM NC(=O)N([O-])c1cccc(Cl)c1 38890714 571863456 /nfs/dbraw/zinc/86/34/56/571863456.db2.gz GUXVTBWCFWLEIH-UHFFFAOYSA-N -1 3 186.598 1.614 10 0 ADAEHM C[C@H]1Cc2ccc(F)c([O-])c2C(=O)O1 138998702 571863498 /nfs/dbraw/zinc/86/34/98/571863498.db2.gz QYHBUROVDIQVPN-YFKPBYRVSA-N -1 3 196.177 1.633 10 0 ADAEHM CSc1nc(=S)[nH]c(=S)[n-]1 38888554 571863909 /nfs/dbraw/zinc/86/39/09/571863909.db2.gz UVRDIFOZBJEFGI-UHFFFAOYSA-N -1 3 191.306 1.171 10 0 in-vitro ADAEHM Cc1nc2c([O-])cccc2n1C 38949188 571864158 /nfs/dbraw/zinc/86/41/58/571864158.db2.gz MCRBEPNIUIWKGW-UHFFFAOYSA-N -1 3 162.192 1.587 10 0 ADAEHM Cc1[n-]c(=O)nc2ccc(Cl)cc12 29213644 571864346 /nfs/dbraw/zinc/86/43/46/571864346.db2.gz QAGKRQBHOYXDIU-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM C[C@@H]1Cc2ccc(F)c([O-])c2C(=O)O1 138998577 571864461 /nfs/dbraw/zinc/86/44/61/571864461.db2.gz QYHBUROVDIQVPN-RXMQYKEDSA-N -1 3 196.177 1.633 10 0 ADAEHM COc1cc([O-])c2c(c1C)CCC2=O 38950631 571865630 /nfs/dbraw/zinc/86/56/30/571865630.db2.gz XMTMDRBWRQNIHD-UHFFFAOYSA-N -1 3 192.214 1.838 10 0 ADAEHM [O-]c1ccc([C@H](O)C(F)(F)F)nc1 38950694 571866017 /nfs/dbraw/zinc/86/60/17/571866017.db2.gz NUUWPSHUQQLDJK-LURJTMIESA-N -1 3 193.124 1.383 10 0 ADAEHM [O-]c1ccc([C@@H](O)C(F)(F)F)nc1 38950696 571866411 /nfs/dbraw/zinc/86/64/11/571866411.db2.gz NUUWPSHUQQLDJK-ZCFIWIBFSA-N -1 3 193.124 1.383 10 0 ADAEHM O=C1C[C@H]2CCc3cccc([O-])c3N12 39039038 571872134 /nfs/dbraw/zinc/87/21/34/571872134.db2.gz XLCUUOXMTSGXFS-MRVPVSSYSA-N -1 3 189.214 1.444 10 0 ADAEHM CCc1nc2c([O-])cccc2n1C 38996028 571868588 /nfs/dbraw/zinc/86/85/88/571868588.db2.gz XWGHFPKLEMRRSI-UHFFFAOYSA-N -1 3 176.219 1.841 10 0 ADAEHM C[C@H]1OC(=O)c2cccc([O-])c21 6490969 571870000 /nfs/dbraw/zinc/87/00/00/571870000.db2.gz MTRCQNXJOTYOSE-RXMQYKEDSA-N -1 3 164.160 1.624 10 0 ADAEHM CCOc1nc2c([O-])cccc2n1C 39039135 571870188 /nfs/dbraw/zinc/87/01/88/571870188.db2.gz VLEOVYWDYOBKBQ-UHFFFAOYSA-N -1 3 192.218 1.678 10 0 ADAEHM CC(=O)Nc1ccc(N([O-])N=O)cc1 39018199 571870309 /nfs/dbraw/zinc/87/03/09/571870309.db2.gz FUCSBBLREJHVQR-UHFFFAOYSA-N -1 3 195.178 1.522 10 0 ADAEHM C[C@H]1OC(=O)c2cc([O-])ccc21 6490988 571870789 /nfs/dbraw/zinc/87/07/89/571870789.db2.gz HPOHKYINFMAJDE-RXMQYKEDSA-N -1 3 164.160 1.624 10 0 ADAEHM C[C@@H]1OC(=O)c2cc([O-])ccc21 6499654 571870883 /nfs/dbraw/zinc/87/08/83/571870883.db2.gz HPOHKYINFMAJDE-YFKPBYRVSA-N -1 3 164.160 1.624 10 0 ADAEHM C[C@@H]1OC(=O)c2cccc([O-])c21 6499632 571870933 /nfs/dbraw/zinc/87/09/33/571870933.db2.gz MTRCQNXJOTYOSE-YFKPBYRVSA-N -1 3 164.160 1.624 10 0 ADAEHM O=C1C[C@@H]2CCc3cccc([O-])c3N12 39039037 571871808 /nfs/dbraw/zinc/87/18/08/571871808.db2.gz XLCUUOXMTSGXFS-QMMMGPOBSA-N -1 3 189.214 1.444 10 0 ADAEHM O=Cc1ccc2c(c1[O-])CCC[C@@H]2O 196139326 571871835 /nfs/dbraw/zinc/87/18/35/571871835.db2.gz SDKYNABEHHQHMP-JTQLQIEISA-N -1 3 192.214 1.574 10 0 ADAEHM O=Cc1ccc2c(c1[O-])CCC[C@H]2O 196139363 571871933 /nfs/dbraw/zinc/87/19/33/571871933.db2.gz SDKYNABEHHQHMP-SNVBAGLBSA-N -1 3 192.214 1.574 10 0 ADAEHM CCc1cc([O-])cnc1F 39050833 571873243 /nfs/dbraw/zinc/87/32/43/571873243.db2.gz AFCDGMDDDZLUGT-UHFFFAOYSA-N -1 3 141.145 1.489 10 0 ADAEHM O=Cc1cc2c(cc1[O-])CC2 39061768 571876821 /nfs/dbraw/zinc/87/68/21/571876821.db2.gz JPHHGZJAVRVYMS-UHFFFAOYSA-N -1 3 148.161 1.303 10 0 ADAEHM O=C([O-])c1cccnc1CNC1CC1 300747094 571877882 /nfs/dbraw/zinc/87/78/82/571877882.db2.gz JDWCAFQKORLUAI-UHFFFAOYSA-N -1 3 192.218 1.032 10 0 ADAEHM CC(=O)c1c([O-])cc(Cl)cc1O 39074827 571880740 /nfs/dbraw/zinc/88/07/40/571880740.db2.gz QDQWTSYGVJZFAO-UHFFFAOYSA-N -1 3 186.594 1.954 10 0 ADAEHM CC1=CCn2[n-]c(C)c21 39094868 571886563 /nfs/dbraw/zinc/88/65/63/571886563.db2.gz PBYYOFKRKRXBEN-ZETCQYMHSA-N -1 3 122.171 1.006 10 0 ADAEHM CC1=CCn2[n-]c(C)c21 39094870 571887051 /nfs/dbraw/zinc/88/70/51/571887051.db2.gz PBYYOFKRKRXBEN-SSDOTTSWSA-N -1 3 122.171 1.006 10 0 ADAEHM CC(C)c1nc(C=O)c(C=O)[n-]1 39104104 571889726 /nfs/dbraw/zinc/88/97/26/571889726.db2.gz AJPRGUMAOKTQMT-UHFFFAOYSA-N -1 3 166.180 1.158 10 0 ADAEHM C[C@H]1C(=O)N(C)c2c([O-])cccc21 39116490 571892517 /nfs/dbraw/zinc/89/25/17/571892517.db2.gz IXIDZFNSPOWDIF-ZCFIWIBFSA-N -1 3 177.203 1.472 10 0 ADAEHM CC(=S)[N-]C(=O)OC(C)(C)C 39094321 571892536 /nfs/dbraw/zinc/89/25/36/571892536.db2.gz HKZRMZRVXYOGTN-UHFFFAOYSA-N -1 3 175.253 1.858 10 0 ADAEHM CC(C)(C)[C@@H]1COC(=S)[N-]1 39116081 571892720 /nfs/dbraw/zinc/89/27/20/571892720.db2.gz DZHJLWJFPZVVDA-YFKPBYRVSA-N -1 3 159.254 1.306 10 0 ADAEHM CC(C)(C)[C@H]1COC(=S)[N-]1 39116083 571893185 /nfs/dbraw/zinc/89/31/85/571893185.db2.gz DZHJLWJFPZVVDA-RXMQYKEDSA-N -1 3 159.254 1.306 10 0 ADAEHM CCCCc1nc(N)[n-]c(=O)c1C 139168994 571894646 /nfs/dbraw/zinc/89/46/46/571894646.db2.gz MGMJINGLVXWGAO-UHFFFAOYSA-N -1 3 181.239 1.003 10 0 ADAEHM Cc1ccc2c(ccc(=O)n2[O-])c1 39121544 571895616 /nfs/dbraw/zinc/89/56/16/571895616.db2.gz HIGFPMJYWWGIGZ-UHFFFAOYSA-N -1 3 175.187 1.547 10 0 ADAEHM CC(C)[C@@H](N)C(=O)c1ccc([O-])cc1 39135050 571899558 /nfs/dbraw/zinc/89/95/58/571899558.db2.gz KKPQSJMYRQUTCG-SNVBAGLBSA-N -1 3 193.246 1.558 10 0 ADAEHM O=Nc1cc(F)c([O-])cc1O 39125683 571897907 /nfs/dbraw/zinc/89/79/07/571897907.db2.gz KGLNETXOOGKTLO-UHFFFAOYSA-N -1 3 157.100 1.635 10 0 ADAEHM [O-]c1ccc2c(c1Cl)OCO2 39128294 571898881 /nfs/dbraw/zinc/89/88/81/571898881.db2.gz MCNYXXKSYJPETB-UHFFFAOYSA-N -1 3 172.567 1.774 10 0 ADAEHM CC(C)[C@H](N)C(=O)c1ccc([O-])cc1 39135049 571900485 /nfs/dbraw/zinc/90/04/85/571900485.db2.gz KKPQSJMYRQUTCG-JTQLQIEISA-N -1 3 193.246 1.558 10 0 ADAEHM [O-]c1cc(O)ccc1-c1c[nH]cn1 39133009 571900757 /nfs/dbraw/zinc/90/07/57/571900757.db2.gz GQEUKEZMLOLHNS-UHFFFAOYSA-N -1 3 176.175 1.488 10 0 ADAEHM O=C(N[O-])Oc1ccc(Cl)cc1 39148190 571903879 /nfs/dbraw/zinc/90/38/79/571903879.db2.gz VEXZUMHBFWYPFY-UHFFFAOYSA-N -1 3 187.582 1.818 10 0 ADAEHM Cc1ccc(O)c(C=O)c1[O-] 8731879 571904715 /nfs/dbraw/zinc/90/47/15/571904715.db2.gz DDVKRXYKZLUZMD-UHFFFAOYSA-N -1 3 152.149 1.219 10 0 ADAEHM Cn1ncc(Cl)c1C(Cl)=N[O-] 394550485 571905472 /nfs/dbraw/zinc/90/54/72/571905472.db2.gz HQUWYKRGJNCZJQ-UHFFFAOYSA-N -1 3 194.021 1.448 10 0 ADAEHM O=C1C[C@@H]2Cc3cccc([O-])c3N12 39116275 571905577 /nfs/dbraw/zinc/90/55/77/571905577.db2.gz IJWSMWRQRXADEP-ZETCQYMHSA-N -1 3 175.187 1.054 10 0 ADAEHM COc1nc2c(C)cccc2c(=O)[n-]1 39148285 571905633 /nfs/dbraw/zinc/90/56/33/571905633.db2.gz UKUIOPKYZUOFAZ-UHFFFAOYSA-N -1 3 190.202 1.240 10 0 ADAEHM O=C1C[C@H]2Cc3cccc([O-])c3N12 39116277 571906820 /nfs/dbraw/zinc/90/68/20/571906820.db2.gz IJWSMWRQRXADEP-SSDOTTSWSA-N -1 3 175.187 1.054 10 0 ADAEHM [O-]c1coc2cc3c(cc12)CCCO3 39189095 571906963 /nfs/dbraw/zinc/90/69/63/571906963.db2.gz XAOCKGYTEVRQRQ-UHFFFAOYSA-N -1 3 190.198 1.587 10 0 ADAEHM COc1nc2cc(C)ccc2c(=O)[n-]1 39185389 571907401 /nfs/dbraw/zinc/90/74/01/571907401.db2.gz ZRHUIYROWGUUBG-UHFFFAOYSA-N -1 3 190.202 1.240 10 0 ADAEHM CCc1nc2s[n-]c(C)c-2c(=O)n1 39191807 571907992 /nfs/dbraw/zinc/90/79/92/571907992.db2.gz WMKXEAUWVMWTQH-UHFFFAOYSA-N -1 3 195.247 1.250 10 0 ADAEHM CC[C@H](C(=O)[O-])[C@@H](N)c1ccccn1 145384941 571911053 /nfs/dbraw/zinc/91/10/53/571911053.db2.gz HJPKUZSUYGIONT-IONNQARKSA-N -1 3 194.234 1.192 10 0 ADAEHM CC[C@H]1CC(=O)C(C)=C1[O-] 39235885 571911753 /nfs/dbraw/zinc/91/17/53/571911753.db2.gz UDFNGONTGHSKKT-WDSKDSINSA-N -1 3 140.182 1.191 10 0 ADAEHM CC[C@@H]1CC(=O)C(C)=C1[O-] 39235886 571912319 /nfs/dbraw/zinc/91/23/19/571912319.db2.gz UDFNGONTGHSKKT-PHDIDXHHSA-N -1 3 140.182 1.191 10 0 ADAEHM CC[C@@H]1CC(=O)C(C)=C1[O-] 39235884 571912360 /nfs/dbraw/zinc/91/23/60/571912360.db2.gz UDFNGONTGHSKKT-NTSWFWBYSA-N -1 3 140.182 1.191 10 0 ADAEHM CC[C@H]1CC(=O)C(C)=C1[O-] 39235887 571912695 /nfs/dbraw/zinc/91/26/95/571912695.db2.gz UDFNGONTGHSKKT-RITPCOANSA-N -1 3 140.182 1.191 10 0 ADAEHM Cc1cc(C=O)c([O-])cc1N(C)C 39223581 571912731 /nfs/dbraw/zinc/91/27/31/571912731.db2.gz CMFPTTXFNONIRJ-UHFFFAOYSA-N -1 3 179.219 1.579 10 0 ADAEHM CCCCOC(=S)[N-]CC 39244695 571914943 /nfs/dbraw/zinc/91/49/43/571914943.db2.gz KUWUWSIBNWSGDT-UHFFFAOYSA-N -1 3 161.270 1.698 10 0 ADAEHM CCOC([O-])=NC(C)=S 39240801 571915304 /nfs/dbraw/zinc/91/53/04/571915304.db2.gz VPOVUHDFALRUJH-UHFFFAOYSA-N -1 3 147.199 1.080 10 0 ADAEHM CCOC(=O)[N-]C(C)=S 39240801 571915306 /nfs/dbraw/zinc/91/53/06/571915306.db2.gz VPOVUHDFALRUJH-UHFFFAOYSA-N -1 3 147.199 1.080 10 0 ADAEHM NC1(C(=O)[O-])C2(CCC2)C12CCC2 220814194 571915310 /nfs/dbraw/zinc/91/53/10/571915310.db2.gz ZCUKLQQIPQYPEH-UHFFFAOYSA-N -1 3 181.235 1.123 10 0 ADAEHM CCCC[N-]C(=S)OC 39248841 571915434 /nfs/dbraw/zinc/91/54/34/571915434.db2.gz URMVHUGNGKNUMW-UHFFFAOYSA-N -1 3 147.243 1.307 10 0 ADAEHM Cc1ccc([N-]c2nc(N)no2)cc1 39255610 571916362 /nfs/dbraw/zinc/91/63/62/571916362.db2.gz OSNMOWGWCZLIKO-UHFFFAOYSA-N -1 3 190.206 1.704 10 0 ADAEHM COc1cc2sc(N)nc2cc1[O-] 39257187 571916498 /nfs/dbraw/zinc/91/64/98/571916498.db2.gz RWHFVPOJEFQAAG-UHFFFAOYSA-N -1 3 196.231 1.593 10 0 ADAEHM O=C(c1cc([O-])ccc1F)N1CCC1 336231678 571917424 /nfs/dbraw/zinc/91/74/24/571917424.db2.gz LNBNEAGPFODCLV-UHFFFAOYSA-N -1 3 195.193 1.377 10 0 ADAEHM CCCNC(=O)c1cc([O-])ccc1F 336234922 571918181 /nfs/dbraw/zinc/91/81/81/571918181.db2.gz MNCPFQSDQSGOMR-UHFFFAOYSA-N -1 3 197.209 1.671 10 0 ADAEHM S=C1[N-][C@H]2CCCC[C@H]2O1 39270009 571918923 /nfs/dbraw/zinc/91/89/23/571918923.db2.gz XQPNURSRTGXKPB-NTSWFWBYSA-N -1 3 157.238 1.202 10 0 ADAEHM S=C1[N-][C@@H]2CCCC[C@@H]2O1 39270008 571919950 /nfs/dbraw/zinc/91/99/50/571919950.db2.gz XQPNURSRTGXKPB-RITPCOANSA-N -1 3 157.238 1.202 10 0 ADAEHM CCN([O-])C(=O)Nc1ccccc1 39268465 571920056 /nfs/dbraw/zinc/92/00/56/571920056.db2.gz IQMDJGZTJBEXBE-UHFFFAOYSA-N -1 3 180.207 1.930 10 0 ADAEHM S=C1[N-][C@@H]2CCCC[C@H]2O1 39270007 571920341 /nfs/dbraw/zinc/92/03/41/571920341.db2.gz XQPNURSRTGXKPB-PHDIDXHHSA-N -1 3 157.238 1.202 10 0 ADAEHM S=C1[N-][C@H]2CCCC[C@@H]2O1 39270010 571920443 /nfs/dbraw/zinc/92/04/43/571920443.db2.gz XQPNURSRTGXKPB-WDSKDSINSA-N -1 3 157.238 1.202 10 0 ADAEHM CC(C)NCc1ncccc1C(=O)[O-] 300777587 571921880 /nfs/dbraw/zinc/92/18/80/571921880.db2.gz RDNHLFMHJVLYNN-UHFFFAOYSA-N -1 3 194.234 1.278 10 0 ADAEHM CCc1cc(C=O)c([O-])cc1OC 39334066 571922811 /nfs/dbraw/zinc/92/28/11/571922811.db2.gz CDKFANWFBZBYIY-UHFFFAOYSA-N -1 3 180.203 1.776 10 0 ADAEHM Cn1[n-]c(-c2ccccc2)c(F)c1=O 39318579 571922824 /nfs/dbraw/zinc/92/28/24/571922824.db2.gz BOPSJZNWVUGOJU-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM O=C1c2c([O-])cccc2OC12CC2 39341836 571922938 /nfs/dbraw/zinc/92/29/38/571922938.db2.gz QQQJFJPAIQSZJW-UHFFFAOYSA-N -1 3 176.171 1.500 10 0 ADAEHM CN1CCCC[C@H]1/C=C/CC(=O)[O-] 687680163 571923254 /nfs/dbraw/zinc/92/32/54/571923254.db2.gz FXOYFAGIHRMSFF-DNQSNQRASA-N -1 3 183.251 1.502 10 0 ADAEHM CN1CCCC[C@@H]1/C=C/CC(=O)[O-] 687680164 571924638 /nfs/dbraw/zinc/92/46/38/571924638.db2.gz FXOYFAGIHRMSFF-OTQAPUNGSA-N -1 3 183.251 1.502 10 0 ADAEHM CN1CCC[C@@H](/C=C(/F)C(=O)[O-])C1 687680731 571925886 /nfs/dbraw/zinc/92/58/86/571925886.db2.gz JVZVOQHPFUXXLX-QAZRXNLGSA-N -1 3 187.214 1.266 10 0 ADAEHM CN1CCC(/C=C(/F)C(=O)[O-])CC1 687680666 571925961 /nfs/dbraw/zinc/92/59/61/571925961.db2.gz PXPNTEHZOZDOOX-SOFGYWHQSA-N -1 3 187.214 1.266 10 0 ADAEHM Cc1cccc(/C=C\[C@H](N)C(=O)[O-])c1 687681163 571925968 /nfs/dbraw/zinc/92/59/68/571925968.db2.gz BVTOOFYOGXFBBD-OMMCCPJFSA-N -1 3 191.230 1.420 10 0 ADAEHM Cc1ccccc1/C=C\[C@@H](N)C(=O)[O-] 687681166 571926007 /nfs/dbraw/zinc/92/60/07/571926007.db2.gz GNEHURCLXZMBBP-JYESYGNLSA-N -1 3 191.230 1.420 10 0 ADAEHM COc1ccc([O-])c(C=O)c1OC 39393008 571926596 /nfs/dbraw/zinc/92/65/96/571926596.db2.gz UQWMNSCIJIOVCI-UHFFFAOYSA-N -1 3 182.175 1.222 10 0 ADAEHM NC(=S)[N-]C(=O)Oc1ccccc1 39398554 571927100 /nfs/dbraw/zinc/92/71/00/571927100.db2.gz XBNNSRYGNGYWIU-UHFFFAOYSA-N -1 3 196.231 1.019 10 0 ADAEHM Cc1ccccc1/C=C\[C@H](N)C(=O)[O-] 687681165 571927157 /nfs/dbraw/zinc/92/71/57/571927157.db2.gz GNEHURCLXZMBBP-GFVADAIESA-N -1 3 191.230 1.420 10 0 ADAEHM Cc1cccc(/C=C\[C@@H](N)C(=O)[O-])c1 687681164 571927910 /nfs/dbraw/zinc/92/79/10/571927910.db2.gz BVTOOFYOGXFBBD-WWQCOOJYSA-N -1 3 191.230 1.420 10 0 ADAEHM CN1CCC[C@H](/C=C(/F)C(=O)[O-])C1 687680730 571928052 /nfs/dbraw/zinc/92/80/52/571928052.db2.gz JVZVOQHPFUXXLX-KBUNYLKBSA-N -1 3 187.214 1.266 10 0 ADAEHM CSCCCN(C)/C=C/C(=O)[O-] 300792150 571928702 /nfs/dbraw/zinc/92/87/02/571928702.db2.gz YKOPBNLGUROJJI-GQCTYLIASA-N -1 3 189.280 1.270 10 0 ADAEHM N[C@@H](/C=C\c1ccc(F)cc1)C(=O)[O-] 687681718 571929114 /nfs/dbraw/zinc/92/91/14/571929114.db2.gz BTYHDJXBRXYQMR-RWIWAZIYSA-N -1 3 195.193 1.251 10 0 ADAEHM N[C@H](/C=C\c1ccc(F)cc1)C(=O)[O-] 687681717 571929594 /nfs/dbraw/zinc/92/95/94/571929594.db2.gz BTYHDJXBRXYQMR-JVBZPZKUSA-N -1 3 195.193 1.251 10 0 ADAEHM S=C1[N-][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CO1 39420067 571929788 /nfs/dbraw/zinc/92/97/88/571929788.db2.gz WCXZZNJRFIRYTO-OSMVPFSASA-N -1 3 183.276 1.306 10 0 ADAEHM COc1ccc([O-])c(Cl)c1O 39475118 571929822 /nfs/dbraw/zinc/92/98/22/571929822.db2.gz FLLKEIPUAOSBCF-UHFFFAOYSA-N -1 3 174.583 1.760 10 0 ADAEHM COc1ccc(O)c(Cl)c1[O-] 39475118 571929824 /nfs/dbraw/zinc/92/98/24/571929824.db2.gz FLLKEIPUAOSBCF-UHFFFAOYSA-N -1 3 174.583 1.760 10 0 ADAEHM N[C@@H](/C=C\c1ccccc1F)C(=O)[O-] 687681722 571930034 /nfs/dbraw/zinc/93/00/34/571930034.db2.gz NVTLGCLOQGBPMC-UDIARPCQSA-N -1 3 195.193 1.251 10 0 ADAEHM N[C@H](/C=C\c1cccc(F)c1)C(=O)[O-] 687681720 571930338 /nfs/dbraw/zinc/93/03/38/571930338.db2.gz MGKZVALSTYSDAM-XRVBUDJMSA-N -1 3 195.193 1.251 10 0 ADAEHM COC(=O)/C(F)=C\c1ccccc1[O-] 687681853 571930770 /nfs/dbraw/zinc/93/07/70/571930770.db2.gz ACLOOXAXIYFUJQ-SOFGYWHQSA-N -1 3 196.177 1.876 10 0 ADAEHM N[C@@H](/C=C\c1cccc(F)c1)C(=O)[O-] 687681719 571931019 /nfs/dbraw/zinc/93/10/19/571931019.db2.gz MGKZVALSTYSDAM-WBSSQXGSSA-N -1 3 195.193 1.251 10 0 ADAEHM N[C@H](/C=C\c1ccccc1F)C(=O)[O-] 687681721 571931154 /nfs/dbraw/zinc/93/11/54/571931154.db2.gz NVTLGCLOQGBPMC-SSJHQANKSA-N -1 3 195.193 1.251 10 0 ADAEHM CCc1noc([N-]C(C)=O)c1Cl 39613016 571933658 /nfs/dbraw/zinc/93/36/58/571933658.db2.gz KWKRZTAKISOBKA-UHFFFAOYSA-N -1 3 188.614 1.849 10 0 ADAEHM CCCCc1c[nH]c(=S)[n-]c1=O 39603456 571933882 /nfs/dbraw/zinc/93/38/82/571933882.db2.gz ADIYSJAIOVUVLG-UHFFFAOYSA-N -1 3 184.264 1.775 10 0 ADAEHM O=C(CCC1CCCC1)c1cn[n-]n1 300799649 571933928 /nfs/dbraw/zinc/93/39/28/571933928.db2.gz VGTVPIKXMDGRDC-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM O=C(CCC1CCCC1)c1cnn[n-]1 300799649 571933919 /nfs/dbraw/zinc/93/39/19/571933919.db2.gz VGTVPIKXMDGRDC-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM O=C(CCC1CCCC1)c1c[n-]nn1 300799649 571933924 /nfs/dbraw/zinc/93/39/24/571933924.db2.gz VGTVPIKXMDGRDC-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM S=C1[N-][C@@H]2CC=CC[C@@H]2CO1 39650787 571935235 /nfs/dbraw/zinc/93/52/35/571935235.db2.gz ZLQYJSOIAHWDPI-RNFRBKRXSA-N -1 3 169.249 1.226 10 0 ADAEHM S=C1[N-][C@@H]2CC=CC[C@H]2CO1 39650786 571937129 /nfs/dbraw/zinc/93/71/29/571937129.db2.gz ZLQYJSOIAHWDPI-NKWVEPMBSA-N -1 3 169.249 1.226 10 0 ADAEHM CCn1nnc(-c2ccc([O-])cc2)n1 100967313 571938179 /nfs/dbraw/zinc/93/81/79/571938179.db2.gz IHXPLFPNFYIKPE-UHFFFAOYSA-N -1 3 190.206 1.066 10 0 ADAEHM O=Cc1ccc2c(c1[O-])OCC2 687683576 571938551 /nfs/dbraw/zinc/93/85/51/571938551.db2.gz CLSAWSJCZYVFDR-UHFFFAOYSA-N -1 3 164.160 1.140 10 0 ADAEHM C[C@H](NC/C=C/C(=O)[O-])c1ccco1 235513246 571938805 /nfs/dbraw/zinc/93/88/05/571938805.db2.gz SPWBKAATXFAARQ-NCJLJLRUSA-N -1 3 195.218 1.571 10 0 ADAEHM COC(=O)N([O-])C[C@@H]1CC=CCC1 39129495 571939733 /nfs/dbraw/zinc/93/97/33/571939733.db2.gz ZHVWBOXIGFWSJG-MRVPVSSYSA-N -1 3 185.223 1.800 10 0 ADAEHM C[C@@H]1c2ccc(C(=O)[O-])n2CCN1C 39778461 571941170 /nfs/dbraw/zinc/94/11/70/571941170.db2.gz JLPBPRWFGKDSKI-SSDOTTSWSA-N -1 3 194.234 1.193 10 0 ADAEHM C[C@H]1c2ccc(C(=O)[O-])n2CCN1C 39778462 571940682 /nfs/dbraw/zinc/94/06/82/571940682.db2.gz JLPBPRWFGKDSKI-ZETCQYMHSA-N -1 3 194.234 1.193 10 0 ADAEHM CC(C)OCCCC(=O)c1cnn[n-]1 689428409 571943766 /nfs/dbraw/zinc/94/37/66/571943766.db2.gz JCUUGYOHQBDLEB-UHFFFAOYSA-N -1 3 197.238 1.193 10 0 ADAEHM CC(C)OCCCC(=O)c1c[n-]nn1 689428409 571943767 /nfs/dbraw/zinc/94/37/67/571943767.db2.gz JCUUGYOHQBDLEB-UHFFFAOYSA-N -1 3 197.238 1.193 10 0 ADAEHM CC(C)OCCCC(=O)c1cn[n-]n1 689428409 571943770 /nfs/dbraw/zinc/94/37/70/571943770.db2.gz JCUUGYOHQBDLEB-UHFFFAOYSA-N -1 3 197.238 1.193 10 0 ADAEHM CCCNc1nc(CC)cc(=O)[n-]1 71418499 571944303 /nfs/dbraw/zinc/94/43/03/571944303.db2.gz QBGJMGKCOWDKGS-UHFFFAOYSA-N -1 3 181.239 1.154 10 0 ADAEHM O=c1[nH]c(=S)oc2ccc([O-])cc12 196413413 571944621 /nfs/dbraw/zinc/94/46/21/571944621.db2.gz FQRGOWLXDIUDOC-UHFFFAOYSA-N -1 3 195.199 1.556 10 0 ADAEHM CNN=Cc1cc(Cl)ccc1[O-] 379334780 571946203 /nfs/dbraw/zinc/94/62/03/571946203.db2.gz NIGIFFLSAIPVDK-UHFFFAOYSA-N -1 3 184.626 1.599 10 0 ADAEHM Cc1cc(Cl)cc(C=NN)c1[O-] 379330446 571947219 /nfs/dbraw/zinc/94/72/19/571947219.db2.gz XILHOYPIQCKJBE-UHFFFAOYSA-N -1 3 184.626 1.647 10 0 ADAEHM O=C1[N-]S[C@H]2CCCC[C@@H]12 140514131 571948742 /nfs/dbraw/zinc/94/87/42/571948742.db2.gz XABVEIUUYBQVQC-RITPCOANSA-N -1 3 157.238 1.323 10 0 ADAEHM CCN([O-])C(=O)OC(C)(C)C 139547024 571950172 /nfs/dbraw/zinc/95/01/72/571950172.db2.gz MDRMWRGGFATSDG-UHFFFAOYSA-N -1 3 161.201 1.633 10 0 ADAEHM CC(C)COC([O-])=NC(N)=S 140522583 571950696 /nfs/dbraw/zinc/95/06/96/571950696.db2.gz NCIUBZFWELXNBT-UHFFFAOYSA-N -1 3 176.241 1.233 10 0 ADAEHM CC(C)COC(=O)[N-]C(N)=S 140522583 571950698 /nfs/dbraw/zinc/95/06/98/571950698.db2.gz NCIUBZFWELXNBT-UHFFFAOYSA-N -1 3 176.241 1.233 10 0 ADAEHM Cc1[nH]c2c(c1C(=O)[O-])CCN(C)C2 40449085 571953108 /nfs/dbraw/zinc/95/31/08/571953108.db2.gz IJZXFDBLORXQMM-UHFFFAOYSA-N -1 3 194.234 1.009 10 0 ADAEHM CC(C)[N-]C(=S)OC(C)C 139651575 571954634 /nfs/dbraw/zinc/95/46/34/571954634.db2.gz NJCQELZGLMBUCO-UHFFFAOYSA-N -1 3 161.270 1.694 10 0 ADAEHM O=C1N=CC(=O)c2c1[n-]c1ccccc21 113898878 571954866 /nfs/dbraw/zinc/95/48/66/571954866.db2.gz FFCZQVKVWGGQFB-UHFFFAOYSA-N -1 3 198.181 1.575 10 0 ADAEHM [O-]c1cc(Cl)ccc1-n1cnnn1 139670644 571954933 /nfs/dbraw/zinc/95/49/33/571954933.db2.gz QUHBOHVXMOMRHX-UHFFFAOYSA-N -1 3 196.597 1.021 10 0 ADAEHM [O-]c1ccc(C2(O)CCC2)cc1F 139648905 571954994 /nfs/dbraw/zinc/95/49/94/571954994.db2.gz BDFHPZBGXMEPBW-UHFFFAOYSA-N -1 3 182.194 1.903 10 0 ADAEHM CCN(C)C(=O)Nc1ccccc1[O-] 233440821 571957317 /nfs/dbraw/zinc/95/73/17/571957317.db2.gz NCRLZTUWVLXGTD-UHFFFAOYSA-N -1 3 194.234 1.876 10 0 ADAEHM Cc1ccc([C@@H](C)N([O-])C(N)=O)o1 11688266 571955414 /nfs/dbraw/zinc/95/54/14/571955414.db2.gz NPEPKUYRLBWTCB-ZCFIWIBFSA-N -1 3 184.195 1.419 10 0 ADAEHM CCc1nc(-c2cnccn2)[nH]c1[O-] 234317232 571958098 /nfs/dbraw/zinc/95/80/98/571958098.db2.gz AVNOOIIKYSIEOB-UHFFFAOYSA-N -1 3 190.206 1.135 10 0 ADAEHM Cc1nn(-c2ccccn2)c(C)c1[O-] 31886550 571958665 /nfs/dbraw/zinc/95/86/65/571958665.db2.gz PYMGNAHXXDFFAZ-UHFFFAOYSA-N -1 3 189.218 1.590 10 0 ADAEHM CN(C)Cc1cc(C(=O)[O-])cs1 711391035 571959008 /nfs/dbraw/zinc/95/90/08/571959008.db2.gz VLXUPBDHNMLMMA-UHFFFAOYSA-N -1 3 185.248 1.508 10 0 ADAEHM [O-][n+]1ccccc1[N-]c1ccccn1 687759229 571960070 /nfs/dbraw/zinc/96/00/70/571960070.db2.gz INSJIQYRHQXNGC-UHFFFAOYSA-N -1 3 187.202 1.459 10 0 ADAEHM CCCCc1nc(CC)cc(=O)[n-]1 80316375 571962418 /nfs/dbraw/zinc/96/24/18/571962418.db2.gz IJJVVDQLIAVUDS-UHFFFAOYSA-N -1 3 180.251 1.675 10 0 ADAEHM COc1ncc(C(=O)C2CCC2)[n-]1 32133979 571964205 /nfs/dbraw/zinc/96/42/05/571964205.db2.gz ZUJSVLGGNMNBIX-UHFFFAOYSA-N -1 3 180.207 1.401 10 0 ADAEHM COc1nc(C(=O)C2CCC2)c[n-]1 32133979 571964207 /nfs/dbraw/zinc/96/42/07/571964207.db2.gz ZUJSVLGGNMNBIX-UHFFFAOYSA-N -1 3 180.207 1.401 10 0 ADAEHM CCC[C@@H]1CC(=O)C(CC)=C1[O-] 32153786 571966399 /nfs/dbraw/zinc/96/63/99/571966399.db2.gz ZNNCMPCJTCKYBC-HTQZYQBOSA-N -1 3 168.236 1.971 10 0 ADAEHM [O-]c1ccccc1Oc1ccncn1 40863588 571965925 /nfs/dbraw/zinc/96/59/25/571965925.db2.gz HOJRKCXNBCTWBB-UHFFFAOYSA-N -1 3 188.186 1.975 10 0 ADAEHM CCCCC1=C([O-])CCC1=O 32136228 571966282 /nfs/dbraw/zinc/96/62/82/571966282.db2.gz JEYFVOIANPSMJO-UHFFFAOYSA-N -1 3 154.209 1.725 10 0 ADAEHM C[C@@H]1CO[C@@H](c2ccccc2[O-])O1 32145123 571966833 /nfs/dbraw/zinc/96/68/33/571966833.db2.gz FTCZRYRMDPLDRJ-GMSGAONNSA-N -1 3 180.203 1.826 10 0 ADAEHM C[C@@H]1CO[C@H](c2ccccc2[O-])O1 32145129 571966859 /nfs/dbraw/zinc/96/68/59/571966859.db2.gz FTCZRYRMDPLDRJ-XCBNKYQSSA-N -1 3 180.203 1.826 10 0 ADAEHM CCC[C@@H]1CC(=O)C(CC)=C1[O-] 32153794 571967106 /nfs/dbraw/zinc/96/71/06/571967106.db2.gz ZNNCMPCJTCKYBC-SFYZADRCSA-N -1 3 168.236 1.971 10 0 ADAEHM CCC[C@H]1CC(=O)C(CC)=C1[O-] 32153789 571967127 /nfs/dbraw/zinc/96/71/27/571967127.db2.gz ZNNCMPCJTCKYBC-JGVFFNPUSA-N -1 3 168.236 1.971 10 0 ADAEHM C[C@H]1CO[C@H](c2ccccc2[O-])O1 32145133 571967481 /nfs/dbraw/zinc/96/74/81/571967481.db2.gz FTCZRYRMDPLDRJ-XVKPBYJWSA-N -1 3 180.203 1.826 10 0 ADAEHM C[C@@](N)(c1occc1C(=O)[O-])C1CC1 687692122 571968352 /nfs/dbraw/zinc/96/83/52/571968352.db2.gz GHUIFQSTVGTYIU-JTQLQIEISA-N -1 3 195.218 1.562 10 0 ADAEHM C[C@H]1CO[C@@H](c2ccccc2[O-])O1 32145126 571967638 /nfs/dbraw/zinc/96/76/38/571967638.db2.gz FTCZRYRMDPLDRJ-OIBJUYFYSA-N -1 3 180.203 1.826 10 0 ADAEHM CCC[C@H]1CC(=O)C(CC)=C1[O-] 32153799 571967732 /nfs/dbraw/zinc/96/77/32/571967732.db2.gz ZNNCMPCJTCKYBC-YUMQZZPRSA-N -1 3 168.236 1.971 10 0 ADAEHM C[C@](N)(c1occc1C(=O)[O-])C1CC1 687692123 571967933 /nfs/dbraw/zinc/96/79/33/571967933.db2.gz GHUIFQSTVGTYIU-SNVBAGLBSA-N -1 3 195.218 1.562 10 0 ADAEHM O=C([O-])[C@@H](CC(F)(F)F)N1CCC1 687692652 571968430 /nfs/dbraw/zinc/96/84/30/571968430.db2.gz IGOLXQQLGFRGKW-RXMQYKEDSA-N -1 3 197.156 1.098 10 0 ADAEHM CC(C)[C@](C)(N)c1occc1C(=O)[O-] 687692099 571969565 /nfs/dbraw/zinc/96/95/65/571969565.db2.gz BUZWBHKIYDSVJS-JTQLQIEISA-N -1 3 197.234 1.808 10 0 ADAEHM CC(C)[C@@](C)(N)c1occc1C(=O)[O-] 687692100 571969659 /nfs/dbraw/zinc/96/96/59/571969659.db2.gz BUZWBHKIYDSVJS-SNVBAGLBSA-N -1 3 197.234 1.808 10 0 ADAEHM NC1(c2occc2C(=O)[O-])CCCC1 687692177 571969665 /nfs/dbraw/zinc/96/96/65/571969665.db2.gz KTZYEXZIAQOOAQ-UHFFFAOYSA-N -1 3 195.218 1.706 10 0 ADAEHM O=C([O-])[C@H](CC(F)(F)F)N1CCC1 687692653 571969694 /nfs/dbraw/zinc/96/96/94/571969694.db2.gz IGOLXQQLGFRGKW-YFKPBYRVSA-N -1 3 197.156 1.098 10 0 ADAEHM CC(C)(N)c1occc1C(=O)[O-] 687692331 571969942 /nfs/dbraw/zinc/96/99/42/571969942.db2.gz ZUXFSRCNWHSZTP-UHFFFAOYSA-N -1 3 169.180 1.172 10 0 ADAEHM CC(C)(N)c1ccc(C(=O)[O-])o1 687693649 571970355 /nfs/dbraw/zinc/97/03/55/571970355.db2.gz WZAVCRAFTHAESJ-UHFFFAOYSA-N -1 3 169.180 1.172 10 0 ADAEHM NC1(c2ccc(C(=O)[O-])o2)CCCC1 687693503 571970484 /nfs/dbraw/zinc/97/04/84/571970484.db2.gz QHHWTGAIOKPXMM-UHFFFAOYSA-N -1 3 195.218 1.706 10 0 ADAEHM CC(=O)c1c(O)cc([O-])c(C)c1C 32205230 571970607 /nfs/dbraw/zinc/97/06/07/571970607.db2.gz NIAHNSGOERWVCS-UHFFFAOYSA-N -1 3 180.203 1.917 10 0 ADAEHM CC(C)[C@](C)(N)c1ccc(C(=O)[O-])o1 687693494 571971137 /nfs/dbraw/zinc/97/11/37/571971137.db2.gz PRFFWAILXJBGCR-JTQLQIEISA-N -1 3 197.234 1.808 10 0 ADAEHM CC(C)[C@@](C)(N)c1ccc(C(=O)[O-])o1 687693495 571970980 /nfs/dbraw/zinc/97/09/80/571970980.db2.gz PRFFWAILXJBGCR-SNVBAGLBSA-N -1 3 197.234 1.808 10 0 ADAEHM O=C([O-])/C=C\N1CCC[C@@H](CF)C1 711443889 571971350 /nfs/dbraw/zinc/97/13/50/571971350.db2.gz FOQVRQSQOAXJBT-NHLYECAPSA-N -1 3 187.214 1.266 10 0 ADAEHM CCCC(=O)[N-]C(=O)OCC 32218956 571971439 /nfs/dbraw/zinc/97/14/39/571971439.db2.gz QZUFANFTLOMDNV-UHFFFAOYSA-N -1 3 159.185 1.059 10 0 ADAEHM CCC(N)(CC)c1ccc(C(=O)[O-])o1 687693650 571971697 /nfs/dbraw/zinc/97/16/97/571971697.db2.gz XGXUAIUJKVCAMN-UHFFFAOYSA-N -1 3 197.234 1.952 10 0 ADAEHM CN(C)c1ccc([O-])c(N=O)c1 32206169 571971822 /nfs/dbraw/zinc/97/18/22/571971822.db2.gz YMKYQCWUEBWQGS-UHFFFAOYSA-N -1 3 166.180 1.856 10 0 ADAEHM CC[C@@](C)(N)c1ccc(C(=O)[O-])o1 687693622 571972349 /nfs/dbraw/zinc/97/23/49/571972349.db2.gz VKRLDHFWMSHOEG-SECBINFHSA-N -1 3 183.207 1.562 10 0 ADAEHM O=[N+]([O-])c1c[n-]c(C(F)(F)F)n1 32221618 571973392 /nfs/dbraw/zinc/97/33/92/571973392.db2.gz VBXNQIJUKVDWNT-UHFFFAOYSA-N -1 3 181.073 1.337 10 0 ADAEHM CC[C@](C)(N)c1ccc(C(=O)[O-])o1 687693623 571973186 /nfs/dbraw/zinc/97/31/86/571973186.db2.gz VKRLDHFWMSHOEG-VIFPVBQESA-N -1 3 183.207 1.562 10 0 ADAEHM O=C([O-])/C=C/N1CCC[C@H](CF)C1 711443900 571973244 /nfs/dbraw/zinc/97/32/44/571973244.db2.gz FOQVRQSQOAXJBT-RYEJSQLPSA-N -1 3 187.214 1.266 10 0 ADAEHM O=[N+]([O-])c1cnc(C(F)(F)F)[n-]1 32221618 571973389 /nfs/dbraw/zinc/97/33/89/571973389.db2.gz VBXNQIJUKVDWNT-UHFFFAOYSA-N -1 3 181.073 1.337 10 0 ADAEHM COc1cc([O-])c(C=O)c(C)c1C 32221254 571974598 /nfs/dbraw/zinc/97/45/98/571974598.db2.gz PJDMXZRKXHMLSZ-UHFFFAOYSA-N -1 3 180.203 1.830 10 0 ADAEHM Cc1coc2cccc([O-])c2c1=O 139843862 571975106 /nfs/dbraw/zinc/97/51/06/571975106.db2.gz VYYRFRCQKOONOH-UHFFFAOYSA-N -1 3 176.171 1.807 10 0 ADAEHM Cc1coc2cccc(=O)c-2c1[O-] 139843862 571975108 /nfs/dbraw/zinc/97/51/08/571975108.db2.gz VYYRFRCQKOONOH-UHFFFAOYSA-N -1 3 176.171 1.807 10 0 ADAEHM CSc1nc2[nH]cc(C)c2c(=O)[n-]1 32302303 571976174 /nfs/dbraw/zinc/97/61/74/571976174.db2.gz QCZPXKGCVAIVPV-UHFFFAOYSA-N -1 3 195.247 1.282 10 0 ADAEHM COc1c([O-])c2ccccc2n1OC 139845166 571976339 /nfs/dbraw/zinc/97/63/39/571976339.db2.gz IXXUTSWQPHFMSO-SNVBAGLBSA-N -1 3 193.202 1.223 10 0 ADAEHM COc1cc([O-])c2c(c1)CCCC2=O 139700751 571976605 /nfs/dbraw/zinc/97/66/05/571976605.db2.gz FURQCHFPXBIWNL-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM Cc1ncc2c(c1[O-])CO[C@H]2C 13220948 571977934 /nfs/dbraw/zinc/97/79/34/571977934.db2.gz WPRNMWVODLENAP-LURJTMIESA-N -1 3 165.192 1.687 10 0 ADAEHM CP(C)(=O)c1cccc([O-])c1 139875875 571977895 /nfs/dbraw/zinc/97/78/95/571977895.db2.gz OWXLRRUSCZTSCJ-UHFFFAOYSA-N -1 3 170.148 1.640 10 0 ADAEHM COc1cc2c(cc1[O-])COC2=O 13328554 571979755 /nfs/dbraw/zinc/97/97/55/571979755.db2.gz SBRSQZDGPDFDNI-UHFFFAOYSA-N -1 3 180.159 1.071 10 0 ADAEHM O=Cc1c([O-])ccc2cnccc12 32501159 571980476 /nfs/dbraw/zinc/98/04/76/571980476.db2.gz UVWQSKCMHILNIV-UHFFFAOYSA-N -1 3 173.171 1.753 10 0 ADAEHM CC(=O)Oc1cc(C)cc([O-])c1C=O 13334464 571980251 /nfs/dbraw/zinc/98/02/51/571980251.db2.gz BMVAZWWCZMVDSN-UHFFFAOYSA-N -1 3 194.186 1.438 10 0 ADAEHM c1coc(C[N-]c2nnns2)c1 32603396 571983149 /nfs/dbraw/zinc/98/31/49/571983149.db2.gz WEMZHNPJSJVJIR-UHFFFAOYSA-N -1 3 182.208 1.138 10 0 ADAEHM CC(=O)c1ccc(C(C)=O)c([O-])c1 13437424 571982829 /nfs/dbraw/zinc/98/28/29/571982829.db2.gz CHSUVWIYVDZSCJ-UHFFFAOYSA-N -1 3 178.187 1.797 10 0 ADAEHM O=C1C=C([O-])C2(CCC2)C1 687767465 571985442 /nfs/dbraw/zinc/98/54/42/571985442.db2.gz QNGLSLJFGKXLRS-UHFFFAOYSA-N -1 3 138.166 1.089 10 0 ADAEHM CC(=O)Oc1ccc([O-])cc1C(C)=O 13480988 571985783 /nfs/dbraw/zinc/98/57/83/571985783.db2.gz ALCWHITWIVGRQB-UHFFFAOYSA-N -1 3 194.186 1.520 10 0 ADAEHM Cc1cc([C@@H](C)N([O-])C(N)=O)c(C)o1 13762848 571989019 /nfs/dbraw/zinc/98/90/19/571989019.db2.gz UFGWNRDPRXMVCQ-ZCFIWIBFSA-N -1 3 198.222 1.727 10 0 ADAEHM Cc1cc([C@H](C)N([O-])C(N)=O)co1 13762857 571989577 /nfs/dbraw/zinc/98/95/77/571989577.db2.gz LULRLPUMBHDNSB-LURJTMIESA-N -1 3 184.195 1.419 10 0 ADAEHM Cc1ccc([C@@H](C)N([O-])C(N)=O)cc1 13762749 571989535 /nfs/dbraw/zinc/98/95/35/571989535.db2.gz XCVNSBXGQHHVLM-MRVPVSSYSA-N -1 3 194.234 1.826 10 0 ADAEHM C[C@@H](N/C=C\c1ccccc1)C(=O)[O-] 114030074 571989560 /nfs/dbraw/zinc/98/95/60/571989560.db2.gz RCESYKVVJOWLEC-UFGYOYAJSA-N -1 3 191.230 1.720 10 0 ADAEHM C[C@H](c1ccccc1)N([O-])C(N)=O 13762745 571989687 /nfs/dbraw/zinc/98/96/87/571989687.db2.gz LIXQVCKNGBFILF-SSDOTTSWSA-N -1 3 180.207 1.518 10 0 ADAEHM C[C@@H](c1cccs1)N([O-])C(N)=O 13762877 571989881 /nfs/dbraw/zinc/98/98/81/571989881.db2.gz AJJJJDIJBDNKBV-YFKPBYRVSA-N -1 3 186.236 1.579 10 0 ADAEHM C[C@@H](c1ccccc1)N([O-])C(N)=O 13762747 571990369 /nfs/dbraw/zinc/99/03/69/571990369.db2.gz LIXQVCKNGBFILF-ZETCQYMHSA-N -1 3 180.207 1.518 10 0 ADAEHM Cc1cc([C@@H](C)N([O-])C(N)=O)co1 13762855 571990925 /nfs/dbraw/zinc/99/09/25/571990925.db2.gz LULRLPUMBHDNSB-ZCFIWIBFSA-N -1 3 184.195 1.419 10 0 ADAEHM Cc1scnc1-c1o[n-]c(=O)c1N 74240422 571990437 /nfs/dbraw/zinc/99/04/37/571990437.db2.gz FVPUPVCMHBPHKU-UHFFFAOYSA-N -1 3 197.219 1.394 10 0 ADAEHM CC(C)[C@@H]1[N-]C(=S)OC1(C)C 39104625 571990577 /nfs/dbraw/zinc/99/05/77/571990577.db2.gz JACWLYWDRFCVBC-LURJTMIESA-N -1 3 173.281 1.694 10 0 ADAEHM Cc1ccc([C@H](C)N([O-])C(N)=O)cc1 13762751 571990626 /nfs/dbraw/zinc/99/06/26/571990626.db2.gz XCVNSBXGQHHVLM-QMMMGPOBSA-N -1 3 194.234 1.826 10 0 ADAEHM C[C@H](c1ccco1)N([O-])C(N)=O 13762840 571991351 /nfs/dbraw/zinc/99/13/51/571991351.db2.gz YIBAXIRZUZKFMV-RXMQYKEDSA-N -1 3 170.168 1.111 10 0 ADAEHM O=c1c([O-])c1-c1ccccc1 139919819 571991405 /nfs/dbraw/zinc/99/14/05/571991405.db2.gz BKHVEEOKBDBVHE-UHFFFAOYSA-N -1 3 146.145 1.295 10 0 ADAEHM Cc1cc([C@H](C)N([O-])C(N)=O)c(C)o1 13762850 571991527 /nfs/dbraw/zinc/99/15/27/571991527.db2.gz UFGWNRDPRXMVCQ-LURJTMIESA-N -1 3 198.222 1.727 10 0 ADAEHM C[C@H](c1cccs1)N([O-])C(N)=O 13762875 571991715 /nfs/dbraw/zinc/99/17/15/571991715.db2.gz AJJJJDIJBDNKBV-RXMQYKEDSA-N -1 3 186.236 1.579 10 0 ADAEHM CC(C)=CCN1CC(CC(=O)[O-])C1 81744104 571992034 /nfs/dbraw/zinc/99/20/34/571992034.db2.gz RRLFSILQKBIMJO-UHFFFAOYSA-N -1 3 183.251 1.359 10 0 ADAEHM CC(C)c1cnc2cc(=O)[n-]n2c1 219491845 571992198 /nfs/dbraw/zinc/99/21/98/571992198.db2.gz MZCWBLNIIAZTCW-UHFFFAOYSA-N -1 3 177.207 1.146 10 0 ADAEHM CCCC[C@@H]1COC(=S)[N-]1 140037127 571993042 /nfs/dbraw/zinc/99/30/42/571993042.db2.gz DBJPIORQWSEBOB-ZCFIWIBFSA-N -1 3 159.254 1.450 10 0 ADAEHM CCCC[C@H]1COC(=S)[N-]1 140037258 571993097 /nfs/dbraw/zinc/99/30/97/571993097.db2.gz DBJPIORQWSEBOB-LURJTMIESA-N -1 3 159.254 1.450 10 0 ADAEHM CSc1ccc(NC(N)=O)cc1[O-] 140098701 571994178 /nfs/dbraw/zinc/99/41/78/571994178.db2.gz KBCNZQTYKOJKLP-UHFFFAOYSA-N -1 3 198.247 1.605 10 0 ADAEHM Cc1cccc2c1ccc(=O)n2[O-] 39121555 571995922 /nfs/dbraw/zinc/99/59/22/571995922.db2.gz YPQQQBKSBYKUPU-UHFFFAOYSA-N -1 3 175.187 1.547 10 0 ADAEHM Cc1ccc2ccc(=O)n([O-])c2c1 39121554 571997837 /nfs/dbraw/zinc/99/78/37/571997837.db2.gz CXURJWXVSCKUKA-UHFFFAOYSA-N -1 3 175.187 1.547 10 0 ADAEHM Cc1cccnc1-c1c(N)[nH][n-]c1=O 39207695 571999913 /nfs/dbraw/zinc/99/99/13/571999913.db2.gz ZQBJDJIGRPMXGX-UHFFFAOYSA-N -1 3 190.206 1.068 10 0 ADAEHM O=c1cc2[nH]ccnc-2c([O-])c1 39136892 571999918 /nfs/dbraw/zinc/99/99/18/571999918.db2.gz PBBMVJLZTCRZPC-UHFFFAOYSA-N -1 3 162.148 1.041 10 0 ADAEHM O=c1cc([O-])cc2[nH]ccnc1-2 39136892 571999920 /nfs/dbraw/zinc/99/99/20/571999920.db2.gz PBBMVJLZTCRZPC-UHFFFAOYSA-N -1 3 162.148 1.041 10 0 ADAEHM C[C@H](O)c1ccc([O-])c(C=O)c1 14454992 572003745 /nfs/dbraw/zinc/00/37/45/572003745.db2.gz KGRIQAYQWQDBQE-LURJTMIESA-N -1 3 166.176 1.258 10 0 ADAEHM COC(OC)c1ccccc1[O-] 14443292 572004327 /nfs/dbraw/zinc/00/43/27/572004327.db2.gz XYSBPHCATQICBN-UHFFFAOYSA-N -1 3 168.192 1.684 10 0 ADAEHM CC[C@H](C)Oc1cc(=O)[n-]c(C)n1 234019098 572006289 /nfs/dbraw/zinc/00/62/89/572006289.db2.gz QMZZDDHCUVBGQY-LURJTMIESA-N -1 3 182.223 1.668 10 0 ADAEHM COc1c2[n-]oc(N)c-2ccc1=O 107077510 572007982 /nfs/dbraw/zinc/00/79/82/572007982.db2.gz LVPBKWODVDQYFG-UHFFFAOYSA-N -1 3 180.163 1.124 10 0 ADAEHM CC(C)c1[n-]oc(=NN)c1Cl 107077055 572009101 /nfs/dbraw/zinc/00/91/01/572009101.db2.gz GPFSZFCDLLAPMG-UHFFFAOYSA-N -1 3 175.619 1.737 10 0 ADAEHM CC(C)CNCc1ncc(C(=O)[O-])o1 219643717 572011957 /nfs/dbraw/zinc/01/19/57/572011957.db2.gz FUKNKXIUJJGFMY-UHFFFAOYSA-N -1 3 198.222 1.118 10 0 ADAEHM CC[C@H](C)NCc1ncc(C(=O)[O-])o1 219643908 572013264 /nfs/dbraw/zinc/01/32/64/572013264.db2.gz YYVVENLPYAOJCH-LURJTMIESA-N -1 3 198.222 1.261 10 0 ADAEHM CC(C)(C)NCc1ncc(C(=O)[O-])o1 219644175 572014047 /nfs/dbraw/zinc/01/40/47/572014047.db2.gz YJFXAGMHVICYED-UHFFFAOYSA-N -1 3 198.222 1.261 10 0 ADAEHM Cc1cc([O-])c2c(c1)[C@H](O)CCC2=O 14708247 572015210 /nfs/dbraw/zinc/01/52/10/572015210.db2.gz JOCZVRFSKAUXRP-MRVPVSSYSA-N -1 3 192.214 1.711 10 0 endogenous,in-man ADAEHM CN1CCC(=CCC(=O)[O-])CC1 33487588 572016295 /nfs/dbraw/zinc/01/62/95/572016295.db2.gz OMYZXIQEFUPONV-UHFFFAOYSA-N -1 3 169.224 1.113 10 0 ADAEHM Cc1cc([O-])c2c(c1)[C@@H](O)CCC2=O 14708250 572017029 /nfs/dbraw/zinc/01/70/29/572017029.db2.gz JOCZVRFSKAUXRP-QMMMGPOBSA-N -1 3 192.214 1.711 10 0 endogenous,in-man ADAEHM CC(C)N(C)Cc1occc1C(=O)[O-] 35432942 572023505 /nfs/dbraw/zinc/02/35/05/572023505.db2.gz FSIDYGCAFKDRAB-UHFFFAOYSA-N -1 3 197.234 1.818 10 0 ADAEHM C[C@@H](CCCN1CCC1)C(=O)[O-] 687774504 572023699 /nfs/dbraw/zinc/02/36/99/572023699.db2.gz JXAMHWDOTCEKSI-QMMMGPOBSA-N -1 3 171.240 1.193 10 0 ADAEHM C[C@H](CCCN1CCC1)C(=O)[O-] 687774503 572024118 /nfs/dbraw/zinc/02/41/18/572024118.db2.gz JXAMHWDOTCEKSI-MRVPVSSYSA-N -1 3 171.240 1.193 10 0 ADAEHM C[C@@](N)(c1ccc(C(=O)[O-])o1)C1CC1 687775118 572025086 /nfs/dbraw/zinc/02/50/86/572025086.db2.gz HWBMCDAXQNOVFD-JTQLQIEISA-N -1 3 195.218 1.562 10 0 ADAEHM CC[C@](C)(N)c1occc1C(=O)[O-] 687775276 572025178 /nfs/dbraw/zinc/02/51/78/572025178.db2.gz UDZWKDHUCRHSTM-VIFPVBQESA-N -1 3 183.207 1.562 10 0 ADAEHM CCC(N)(CC)c1occc1C(=O)[O-] 687775260 572026124 /nfs/dbraw/zinc/02/61/24/572026124.db2.gz SBGCVFVDMIGWDM-UHFFFAOYSA-N -1 3 197.234 1.952 10 0 ADAEHM CC[C@@](C)(N)c1occc1C(=O)[O-] 687775275 572025706 /nfs/dbraw/zinc/02/57/06/572025706.db2.gz UDZWKDHUCRHSTM-SECBINFHSA-N -1 3 183.207 1.562 10 0 ADAEHM C[C@](N)(c1ccc(C(=O)[O-])o1)C1CC1 687775123 572026223 /nfs/dbraw/zinc/02/62/23/572026223.db2.gz HWBMCDAXQNOVFD-SNVBAGLBSA-N -1 3 195.218 1.562 10 0 ADAEHM CCCCc1n[n-]c(C(=O)OCC)n1 82433726 572027683 /nfs/dbraw/zinc/02/76/83/572027683.db2.gz LPGYICLYQASUMU-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCCc1nnc(C(=O)OCC)[n-]1 82433726 572027684 /nfs/dbraw/zinc/02/76/84/572027684.db2.gz LPGYICLYQASUMU-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCCc1nc(C(=O)OCC)n[n-]1 82433726 572027686 /nfs/dbraw/zinc/02/76/86/572027686.db2.gz LPGYICLYQASUMU-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCc1cccc(C(N)=O)c1[O-] 33640317 572028211 /nfs/dbraw/zinc/02/82/11/572028211.db2.gz WDRLUSFZFYYPCU-UHFFFAOYSA-N -1 3 179.219 1.444 10 0 ADAEHM NC(=O)[N-]C(=O)OC1CCCCC1 33640853 572029184 /nfs/dbraw/zinc/02/91/84/572029184.db2.gz ZQHDZUZMVWOMPU-UHFFFAOYSA-N -1 3 186.211 1.124 10 0 ADAEHM Cc1cc(-c2[n-]nnc2C=O)ns1 75616867 572030176 /nfs/dbraw/zinc/03/01/76/572030176.db2.gz AQJUPAGHOLMIKG-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cc(-c2nn[n-]c2C=O)ns1 75616867 572030178 /nfs/dbraw/zinc/03/01/78/572030178.db2.gz AQJUPAGHOLMIKG-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cc(-c2n[n-]nc2C=O)ns1 75616867 572030180 /nfs/dbraw/zinc/03/01/80/572030180.db2.gz AQJUPAGHOLMIKG-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM CCCc1nc(N)c(CCC)c(=O)[n-]1 82450873 572030471 /nfs/dbraw/zinc/03/04/71/572030471.db2.gz SOLVJEVTKUTDBJ-UHFFFAOYSA-N -1 3 195.266 1.257 10 0 ADAEHM O=Cc1n[n-]nc1-c1cccs1 75617500 572030557 /nfs/dbraw/zinc/03/05/57/572030557.db2.gz WSNYABLYELVRTQ-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM Nc1ccc2c(c1)CCC(=S)[N-]2 207162817 572030791 /nfs/dbraw/zinc/03/07/91/572030791.db2.gz XMJBAPHOLVGGDN-UHFFFAOYSA-N -1 3 178.260 1.954 10 0 ADAEHM CC1(C)Oc2ccoc2[N-]C1=O 75595276 572031765 /nfs/dbraw/zinc/03/17/65/572031765.db2.gz INAKTCNMECLYMC-UHFFFAOYSA-N -1 3 167.164 1.389 10 0 ADAEHM CC(C)[C@H]1Oc2ccoc2[N-]C1=O 75595227 572031905 /nfs/dbraw/zinc/03/19/05/572031905.db2.gz PGNYFZCDJGOQIT-SSDOTTSWSA-N -1 3 181.191 1.635 10 0 ADAEHM C[C@H](N[C@H](C)CC(=O)[O-])c1ccco1 35750574 572033679 /nfs/dbraw/zinc/03/36/79/572033679.db2.gz ZDIROPXABWPPJN-SFYZADRCSA-N -1 3 197.234 1.793 10 0 ADAEHM COC(=S)[N-]C1CCCCC1 33754035 572034374 /nfs/dbraw/zinc/03/43/74/572034374.db2.gz MZKGRHHYVSYXOR-UHFFFAOYSA-N -1 3 173.281 1.840 10 0 ADAEHM C[C@H](CC(=O)[O-])N[C@H](C)c1ccco1 35750577 572035505 /nfs/dbraw/zinc/03/55/05/572035505.db2.gz ZDIROPXABWPPJN-HTQZYQBOSA-N -1 3 197.234 1.793 10 0 ADAEHM S=C1[N-][C@H]2CCCC[C@H]2CO1 33839311 572036404 /nfs/dbraw/zinc/03/64/04/572036404.db2.gz DABKTXPVFNQALI-BQBZGAKWSA-N -1 3 171.265 1.450 10 0 ADAEHM S=C1[N-][C@@H]2CCCC[C@H]2CO1 33839310 572036257 /nfs/dbraw/zinc/03/62/57/572036257.db2.gz DABKTXPVFNQALI-NKWVEPMBSA-N -1 3 171.265 1.450 10 0 ADAEHM C[C@H](CN[C@H](C)c1ccco1)C(=O)[O-] 35759204 572036737 /nfs/dbraw/zinc/03/67/37/572036737.db2.gz VNIVSQLXVQGJOB-HTQZYQBOSA-N -1 3 197.234 1.651 10 0 ADAEHM CC1(C)CC(C)(C)OC(=S)[N-]1 33839482 572036871 /nfs/dbraw/zinc/03/68/71/572036871.db2.gz WRBBPUUIACRGCH-UHFFFAOYSA-N -1 3 173.281 1.838 10 0 ADAEHM S=C1[N-][C@H]2CCCC[C@@H]2CO1 33839313 572038220 /nfs/dbraw/zinc/03/82/20/572038220.db2.gz DABKTXPVFNQALI-RQJHMYQMSA-N -1 3 171.265 1.450 10 0 ADAEHM CCOC(=S)[N-][C@@H](C)CC 33841937 572036974 /nfs/dbraw/zinc/03/69/74/572036974.db2.gz QSBZJIDDIHLGKY-LURJTMIESA-N -1 3 161.270 1.696 10 0 ADAEHM S=C1[N-][C@@H]2CCCC[C@@H]2CO1 33839312 572037122 /nfs/dbraw/zinc/03/71/22/572037122.db2.gz DABKTXPVFNQALI-RNFRBKRXSA-N -1 3 171.265 1.450 10 0 ADAEHM C[C@H](NC[C@@H](C)C(=O)[O-])c1ccco1 35759199 572037167 /nfs/dbraw/zinc/03/71/67/572037167.db2.gz VNIVSQLXVQGJOB-SFYZADRCSA-N -1 3 197.234 1.651 10 0 ADAEHM CCOC(=S)[N-][C@H](C)CC 33841936 572037579 /nfs/dbraw/zinc/03/75/79/572037579.db2.gz QSBZJIDDIHLGKY-ZCFIWIBFSA-N -1 3 161.270 1.696 10 0 ADAEHM C[C@H](CC(=O)[O-])N(C)Cc1ccco1 35752723 572037605 /nfs/dbraw/zinc/03/76/05/572037605.db2.gz WBXPYNLJMGSJPM-MRVPVSSYSA-N -1 3 197.234 1.575 10 0 ADAEHM CCOC(=S)[N-]CC(C)C 33841911 572037680 /nfs/dbraw/zinc/03/76/80/572037680.db2.gz ULAMWDDQCMTBEH-UHFFFAOYSA-N -1 3 161.270 1.553 10 0 ADAEHM C[C@@H]1OC(=S)[N-][C@H]2CCCC[C@H]21 33839318 572037882 /nfs/dbraw/zinc/03/78/82/572037882.db2.gz VNLPSFLXAWOQBF-FXQIFTODSA-N -1 3 185.292 1.838 10 0 ADAEHM S=C1[N-]C[C@@H]2CCCC[C@H]2O1 33846202 572038548 /nfs/dbraw/zinc/03/85/48/572038548.db2.gz XIQBQRNKFGUKAI-NKWVEPMBSA-N -1 3 171.265 1.450 10 0 ADAEHM S=C1[N-]C[C@H]2CCC[C@H]2O1 33845788 572038600 /nfs/dbraw/zinc/03/86/00/572038600.db2.gz BJPCDOWIXNHVIB-PHDIDXHHSA-N -1 3 157.238 1.060 10 0 ADAEHM C[C@@H]1CCCc2[nH]c(=S)[n-]c(=O)c21 33842923 572038692 /nfs/dbraw/zinc/03/86/92/572038692.db2.gz FOQQIGLNKMMUIF-RXMQYKEDSA-N -1 3 196.275 1.872 10 0 ADAEHM S=C1[N-]C[C@H]2CCCC[C@H]2O1 33846204 572038824 /nfs/dbraw/zinc/03/88/24/572038824.db2.gz XIQBQRNKFGUKAI-RNFRBKRXSA-N -1 3 171.265 1.450 10 0 ADAEHM CC[C@H]1OC(=O)c2c(O)ccc([O-])c21 15205014 572038883 /nfs/dbraw/zinc/03/88/83/572038883.db2.gz QJSBDHNFEOLVCI-SSDOTTSWSA-N -1 3 194.186 1.719 10 0 ADAEHM S=c1[n-]cnn1-c1ccccc1 33842917 572039005 /nfs/dbraw/zinc/03/90/05/572039005.db2.gz BVIRJZRMLOIHQT-UHFFFAOYSA-N -1 3 177.232 1.930 10 0 ADAEHM S=C1[N-]C[C@@H]2CCC[C@H]2O1 33845789 572039372 /nfs/dbraw/zinc/03/93/72/572039372.db2.gz BJPCDOWIXNHVIB-NTSWFWBYSA-N -1 3 157.238 1.060 10 0 ADAEHM C[C@@H]1CCCc2c1[nH]c(=S)[n-]c2=O 33846857 572039110 /nfs/dbraw/zinc/03/91/10/572039110.db2.gz DGWMNBFEJUEUFA-RXMQYKEDSA-N -1 3 196.275 1.872 10 0 ADAEHM C[C@@H]1CCc2c([nH]c(=S)[n-]c2=O)C1 33846853 572039146 /nfs/dbraw/zinc/03/91/46/572039146.db2.gz KAJADHVQAJGNJB-RXMQYKEDSA-N -1 3 196.275 1.557 10 0 ADAEHM CCC(CC)COc1cc(=O)[n-]cn1 300908292 572039744 /nfs/dbraw/zinc/03/97/44/572039744.db2.gz XKHUADPXOJVDKA-UHFFFAOYSA-N -1 3 196.250 1.997 10 0 ADAEHM CCCC[N-]C(=S)OCC 33845900 572039991 /nfs/dbraw/zinc/03/99/91/572039991.db2.gz OHLQPYLQCZVHJP-UHFFFAOYSA-N -1 3 161.270 1.698 10 0 ADAEHM S=C1[N-]C[C@@H]2CCCC[C@@H]2O1 33846203 572040050 /nfs/dbraw/zinc/04/00/50/572040050.db2.gz XIQBQRNKFGUKAI-BQBZGAKWSA-N -1 3 171.265 1.450 10 0 ADAEHM S=C1[N-]C[C@@H]2CCC[C@@H]2O1 33845791 572040059 /nfs/dbraw/zinc/04/00/59/572040059.db2.gz BJPCDOWIXNHVIB-WDSKDSINSA-N -1 3 157.238 1.060 10 0 ADAEHM C[C@H]1CCc2c([nH]c(=S)[n-]c2=O)C1 33846854 572040307 /nfs/dbraw/zinc/04/03/07/572040307.db2.gz KAJADHVQAJGNJB-YFKPBYRVSA-N -1 3 196.275 1.557 10 0 ADAEHM S=C1[N-]C[C@H]2CCCC[C@@H]2O1 33846205 572040356 /nfs/dbraw/zinc/04/03/56/572040356.db2.gz XIQBQRNKFGUKAI-RQJHMYQMSA-N -1 3 171.265 1.450 10 0 ADAEHM C[C@@H]1[N-]C(=S)O[C@H]2CCCC[C@@H]12 33846557 572040377 /nfs/dbraw/zinc/04/03/77/572040377.db2.gz KKEHHKQFEUCHEE-FXQIFTODSA-N -1 3 185.292 1.838 10 0 ADAEHM [O-]c1ccccc1-c1ccncn1 33846234 572040552 /nfs/dbraw/zinc/04/05/52/572040552.db2.gz UDUWYJGSUFJJLJ-UHFFFAOYSA-N -1 3 172.187 1.849 10 0 ADAEHM Cc1nc2nc(C)c(C)nc2c(=O)[n-]1 33845523 572040681 /nfs/dbraw/zinc/04/06/81/572040681.db2.gz BNTNTONHMSSNRJ-UHFFFAOYSA-N -1 3 190.206 1.051 10 0 ADAEHM S=C1[N-]C[C@H]2CCC[C@@H]2O1 33845790 572040708 /nfs/dbraw/zinc/04/07/08/572040708.db2.gz BJPCDOWIXNHVIB-RITPCOANSA-N -1 3 157.238 1.060 10 0 ADAEHM Cc1ccc(/C=C\[C@H](N)C(=O)[O-])cc1 206497433 572044243 /nfs/dbraw/zinc/04/42/43/572044243.db2.gz UGKITXQNAWRVIL-GFVADAIESA-N -1 3 191.230 1.420 10 0 ADAEHM Cn1ccccc1=NC(=S)[S-] 334138723 572044323 /nfs/dbraw/zinc/04/43/23/572044323.db2.gz BNTBTNCBSMCZAB-UHFFFAOYSA-N -1 3 184.289 1.141 10 0 ADAEHM CCCCc1cc2c[n-]c(=O)nc2o1 33992317 572046756 /nfs/dbraw/zinc/04/67/56/572046756.db2.gz ZAESGNQGLBAHBZ-UHFFFAOYSA-N -1 3 192.218 1.859 10 0 ADAEHM [O-]c1cccnc1[C@H](O)C(F)(F)F 33978599 572046914 /nfs/dbraw/zinc/04/69/14/572046914.db2.gz VKBMDFYLHJJRNM-LURJTMIESA-N -1 3 193.124 1.383 10 0 ADAEHM CCCOc1ccc([O-])c(C(N)=O)c1 71455154 572046996 /nfs/dbraw/zinc/04/69/96/572046996.db2.gz BVUMJWZSFXJQOX-UHFFFAOYSA-N -1 3 195.218 1.280 10 0 ADAEHM CCC(CC)COc1ncc[n-]c1=O 300919065 572047635 /nfs/dbraw/zinc/04/76/35/572047635.db2.gz ZEONRDYMAJXGTP-UHFFFAOYSA-N -1 3 196.250 1.997 10 0 ADAEHM [O-]c1cccnc1[C@H](O)C(F)F 33961532 572047719 /nfs/dbraw/zinc/04/77/19/572047719.db2.gz DVPYLHMGLDXZGH-LURJTMIESA-N -1 3 175.134 1.086 10 0 ADAEHM [O-]c1cccnc1[C@@H](O)C(F)F 33961533 572047740 /nfs/dbraw/zinc/04/77/40/572047740.db2.gz DVPYLHMGLDXZGH-ZCFIWIBFSA-N -1 3 175.134 1.086 10 0 ADAEHM [O-]c1cccnc1[C@@H](O)C(F)(F)F 33978600 572048599 /nfs/dbraw/zinc/04/85/99/572048599.db2.gz VKBMDFYLHJJRNM-ZCFIWIBFSA-N -1 3 193.124 1.383 10 0 ADAEHM Cc1cc(Cl)c(C)c(C(N)=O)c1[O-] 71457039 572050191 /nfs/dbraw/zinc/05/01/91/572050191.db2.gz ABEBPQXOZTYGFC-UHFFFAOYSA-N -1 3 199.637 1.761 10 0 ADAEHM Cc1[n-]c(=O)nc2ccc(F)cc12 34090311 572052064 /nfs/dbraw/zinc/05/20/64/572052064.db2.gz IGRXCBOIENURHF-UHFFFAOYSA-N -1 3 178.166 1.371 10 0 ADAEHM O=Cc1c([O-])ccc2c1CCCO2 34090561 572053882 /nfs/dbraw/zinc/05/38/82/572053882.db2.gz UBTQQLHHEDIWRK-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM CN(C/C=C/Cl)CCCC(=O)[O-] 42717146 572053955 /nfs/dbraw/zinc/05/39/55/572053955.db2.gz BOHTTZINCKHEFP-HWKANZROSA-N -1 3 191.658 1.536 10 0 ADAEHM O=C1C=C([O-])[C@@H]2CCCC[C@H]12 34104320 572054683 /nfs/dbraw/zinc/05/46/83/572054683.db2.gz ZNPBIUPPEFUWIT-KNVOCYPGSA-N -1 3 152.193 1.335 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)C[C@H](C)S2 34091738 572054716 /nfs/dbraw/zinc/05/47/16/572054716.db2.gz IMSYQYSYJKZYNF-BYPYZUCNSA-N -1 3 182.248 1.115 10 0 ADAEHM O=C1C=C([O-])[C@@H]2CCCC[C@@H]12 34104319 572054842 /nfs/dbraw/zinc/05/48/42/572054842.db2.gz ZNPBIUPPEFUWIT-RNFRBKRXSA-N -1 3 152.193 1.335 10 0 ADAEHM CC1=C(C)C[C@H]2C(=O)C=C([O-])[C@H]2C1 34100034 572055299 /nfs/dbraw/zinc/05/52/99/572055299.db2.gz WPAHISKGROKAFZ-DTORHVGOSA-N -1 3 178.231 1.891 10 0 ADAEHM CC1=C(C)C[C@H]2C([O-])=CC(=O)[C@@H]2C1 34100033 572055550 /nfs/dbraw/zinc/05/55/50/572055550.db2.gz WPAHISKGROKAFZ-RKDXNWHRSA-N -1 3 178.231 1.891 10 0 ADAEHM O=C1C=C([O-])[C@H]2CCCC[C@H]12 34104321 572056243 /nfs/dbraw/zinc/05/62/43/572056243.db2.gz ZNPBIUPPEFUWIT-BQBZGAKWSA-N -1 3 152.193 1.335 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)C[C@@H](C)S2 34091737 572056374 /nfs/dbraw/zinc/05/63/74/572056374.db2.gz IMSYQYSYJKZYNF-SCSAIBSYSA-N -1 3 182.248 1.115 10 0 ADAEHM Cc1nc(NCC2CC2)c(C)c(=O)[n-]1 34136005 572057153 /nfs/dbraw/zinc/05/71/53/572057153.db2.gz BGCPQQQWSSNXQT-UHFFFAOYSA-N -1 3 193.250 1.209 10 0 ADAEHM CCNc1nc(C)[n-]c(=O)c1C(C)C 34136006 572057499 /nfs/dbraw/zinc/05/74/99/572057499.db2.gz PFMQRPYEPYJTEX-UHFFFAOYSA-N -1 3 195.266 1.634 10 0 ADAEHM Cc1c(CO)oc2cccc([O-])c12 34168264 572059092 /nfs/dbraw/zinc/05/90/92/572059092.db2.gz PNZXWUGTLPDHCJ-UHFFFAOYSA-N -1 3 178.187 1.939 10 0 ADAEHM CC1(C)NC(=O)c2ccc([O-])cc2O1 34143266 572059582 /nfs/dbraw/zinc/05/95/82/572059582.db2.gz PGYYGHGXZFJGCB-UHFFFAOYSA-N -1 3 193.202 1.251 10 0 ADAEHM [O-]c1c(Cl)cc(CO)cc1CO 34165921 572060731 /nfs/dbraw/zinc/06/07/31/572060731.db2.gz AONNUJLOCLHEIW-UHFFFAOYSA-N -1 3 188.610 1.030 10 0 in-vitro ADAEHM C[C@H](NCC(=O)[O-])c1ccccc1F 36723134 572062391 /nfs/dbraw/zinc/06/23/91/572062391.db2.gz YBLUKKYIPHALTC-ZETCQYMHSA-N -1 3 197.209 1.561 10 0 ADAEHM CC(C)Sc1ncc([O-])cn1 34174116 572062585 /nfs/dbraw/zinc/06/25/85/572062585.db2.gz NJYQAOFXLGOWMX-UHFFFAOYSA-N -1 3 170.237 1.683 10 0 ADAEHM CCn1nc2c([O-])cccc2c1CO 219771890 572063446 /nfs/dbraw/zinc/06/34/46/572063446.db2.gz FIXKXTJJTQTHES-UHFFFAOYSA-N -1 3 192.218 1.254 10 0 ADAEHM CCCc1cc(=O)[n-]c(CC(C)C)n1 36755043 572064745 /nfs/dbraw/zinc/06/47/45/572064745.db2.gz KUJWABQRVLTDQT-UHFFFAOYSA-N -1 3 194.278 1.921 10 0 ADAEHM CC(=O)Oc1cc(=O)c(Cl)c[n-]1 34214233 572065179 /nfs/dbraw/zinc/06/51/79/572065179.db2.gz KZRUBUQKEWCGJP-UHFFFAOYSA-N -1 3 187.582 1.366 10 0 ADAEHM CS[C@H]1CCC(=O)C=C1[O-] 34264220 572066494 /nfs/dbraw/zinc/06/64/94/572066494.db2.gz ZNLHUWUTJRXOGW-ZETCQYMHSA-N -1 3 158.222 1.040 10 0 ADAEHM CS[C@H]1CCC([O-])=CC1=O 34264220 572066496 /nfs/dbraw/zinc/06/64/96/572066496.db2.gz ZNLHUWUTJRXOGW-ZETCQYMHSA-N -1 3 158.222 1.040 10 0 ADAEHM CS[C@@H]1CCC(=O)C=C1[O-] 34264219 572067178 /nfs/dbraw/zinc/06/71/78/572067178.db2.gz ZNLHUWUTJRXOGW-SSDOTTSWSA-N -1 3 158.222 1.040 10 0 ADAEHM CS[C@@H]1CCC([O-])=CC1=O 34264219 572067179 /nfs/dbraw/zinc/06/71/79/572067179.db2.gz ZNLHUWUTJRXOGW-SSDOTTSWSA-N -1 3 158.222 1.040 10 0 ADAEHM CC(C)C1=C([O-])CCC1=O 34286158 572068615 /nfs/dbraw/zinc/06/86/15/572068615.db2.gz WTEVTPRVVNSLTM-UHFFFAOYSA-N -1 3 140.182 1.191 10 0 ADAEHM C[C@@H]1CC(=O)c2cc([O-])cnc2C1 34292497 572068645 /nfs/dbraw/zinc/06/86/45/572068645.db2.gz QUKFVQLIZBMCII-LURJTMIESA-N -1 3 177.203 1.552 10 0 ADAEHM C[C@H]1CC(=O)c2cc([O-])cnc2C1 34292495 572069663 /nfs/dbraw/zinc/06/96/63/572069663.db2.gz QUKFVQLIZBMCII-ZCFIWIBFSA-N -1 3 177.203 1.552 10 0 ADAEHM CC[C@@](N)(C(=O)[O-])c1cccs1 34335500 572074376 /nfs/dbraw/zinc/07/43/76/572074376.db2.gz OUYXLFOEJVRIID-QMMMGPOBSA-N -1 3 185.248 1.397 10 0 ADAEHM CO[N-]C(=O)C[C@H](C)C(C)(C)C 82618914 572074405 /nfs/dbraw/zinc/07/44/05/572074405.db2.gz WHOYEGGWRDXUIV-ZETCQYMHSA-N -1 3 173.256 1.736 10 0 ADAEHM CN(CCCC(=O)[O-])c1ccncc1 36925056 572074503 /nfs/dbraw/zinc/07/45/03/572074503.db2.gz OSSXAFWLIYYBTG-UHFFFAOYSA-N -1 3 194.234 1.383 10 0 ADAEHM CO[N-]C(=O)C[C@@H](C)C(C)(C)C 82618915 572075086 /nfs/dbraw/zinc/07/50/86/572075086.db2.gz WHOYEGGWRDXUIV-SSDOTTSWSA-N -1 3 173.256 1.736 10 0 ADAEHM CC[C@](N)(C(=O)[O-])c1cccs1 34335498 572075667 /nfs/dbraw/zinc/07/56/67/572075667.db2.gz OUYXLFOEJVRIID-MRVPVSSYSA-N -1 3 185.248 1.397 10 0 ADAEHM Cc1nc[n-]c(=O)c1CC(C)C 16855733 572077006 /nfs/dbraw/zinc/07/70/06/572077006.db2.gz AVRHXAWRWNTQBS-UHFFFAOYSA-N -1 3 166.224 1.689 10 0 ADAEHM O=C1[N-]c2c(ccc3c2CCC3)C1=O 34405294 572077065 /nfs/dbraw/zinc/07/70/65/572077065.db2.gz DVDUSHAWANOQBB-UHFFFAOYSA-N -1 3 187.198 1.310 10 0 ADAEHM [O-]c1cc(NCCO)ccc1Cl 34380855 572077670 /nfs/dbraw/zinc/07/76/70/572077670.db2.gz HLTOBECDJUZADK-UHFFFAOYSA-N -1 3 187.626 1.450 10 0 ADAEHM O=C1CCOc2c1ccc(F)c2[O-] 34414008 572078754 /nfs/dbraw/zinc/07/87/54/572078754.db2.gz DGEGCQJUROFBOV-UHFFFAOYSA-N -1 3 182.150 1.497 10 0 ADAEHM CCN(C)Cc1ccnc(C(=O)[O-])c1 82668795 572083087 /nfs/dbraw/zinc/08/30/87/572083087.db2.gz SCEJCTAVGXRWNM-UHFFFAOYSA-N -1 3 194.234 1.232 10 0 ADAEHM CN(C)Cc1csc(C(=O)[O-])c1 16943932 572085001 /nfs/dbraw/zinc/08/50/01/572085001.db2.gz PSSKRGPKMFIDLM-UHFFFAOYSA-N -1 3 185.248 1.508 10 0 ADAEHM Cc1c([O-])ccc2cc(N)c(=O)oc12 34480251 572086279 /nfs/dbraw/zinc/08/62/79/572086279.db2.gz ZWWGCTBTNZWIBU-UHFFFAOYSA-N -1 3 191.186 1.389 10 0 ADAEHM CCCC1=C([O-])CCC1=O 34513878 572089188 /nfs/dbraw/zinc/08/91/88/572089188.db2.gz FSCAEMWIILOKLC-UHFFFAOYSA-N -1 3 140.182 1.335 10 0 ADAEHM CCCc1c(O)ccc(C(N)=O)c1[O-] 34537563 572089904 /nfs/dbraw/zinc/08/99/04/572089904.db2.gz GGVSOILFKLMQBR-UHFFFAOYSA-N -1 3 195.218 1.149 10 0 ADAEHM COc1cc(OC)c(C=O)c([O-])c1C 34534663 572090787 /nfs/dbraw/zinc/09/07/87/572090787.db2.gz CTXUCCXIXZISCK-UHFFFAOYSA-N -1 3 196.202 1.530 10 0 ADAEHM Cc1ccnc2c(O)ccc([O-])c12 34540124 572090905 /nfs/dbraw/zinc/09/09/05/572090905.db2.gz MFIWNLJHARSJAL-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM NC(=O)c1cc2c([O-])cccc2o1 34556837 572092290 /nfs/dbraw/zinc/09/22/90/572092290.db2.gz UESPXTUQUBCNBP-UHFFFAOYSA-N -1 3 177.159 1.237 10 0 ADAEHM Cc1c([C@@H](C)F)nc[n-]c1=O 34559776 572092539 /nfs/dbraw/zinc/09/25/39/572092539.db2.gz HVZYJQBCQOVTIR-RXMQYKEDSA-N -1 3 156.160 1.109 10 0 ADAEHM CCCCc1nc(C)cc(=O)[n-]1 17059754 572093278 /nfs/dbraw/zinc/09/32/78/572093278.db2.gz HEFURGIWSUMDFP-UHFFFAOYSA-N -1 3 166.224 1.421 10 0 ADAEHM O=C1c2c([O-])cccc2-n2cccc21 34540891 572093765 /nfs/dbraw/zinc/09/37/65/572093765.db2.gz RRZAJTKEGSMDGB-UHFFFAOYSA-N -1 3 185.182 1.727 10 0 ADAEHM O=Cc1[n-]c(C=O)c(Cl)c1Cl 34562555 572093918 /nfs/dbraw/zinc/09/39/18/572093918.db2.gz BXUQCNULEMCGHB-UHFFFAOYSA-N -1 3 192.001 1.947 10 0 ADAEHM CCCN(C)C(=O)c1ccc([O-])cc1 37098737 572095247 /nfs/dbraw/zinc/09/52/47/572095247.db2.gz PNZOMOSAUFXKSO-UHFFFAOYSA-N -1 3 193.246 1.874 10 0 ADAEHM CC(=O)Oc1cc([O-])ccc1Cl 34568096 572096088 /nfs/dbraw/zinc/09/60/88/572096088.db2.gz FSGUURPGFWRAOH-UHFFFAOYSA-N -1 3 186.594 1.971 10 0 ADAEHM CN(C)C(=O)Nc1ccc(N)cc1[O-] 34581370 572096379 /nfs/dbraw/zinc/09/63/79/572096379.db2.gz RWPVCRNPPNGOIC-UHFFFAOYSA-N -1 3 195.222 1.068 10 0 ADAEHM COC/C=C/c1cc([O-])cc(C=O)c1 114341586 572098963 /nfs/dbraw/zinc/09/89/63/572098963.db2.gz UBMFGSPAKDXXHX-NSCUHMNNSA-N -1 3 192.214 1.864 10 0 ADAEHM COC/C=C\c1cc([O-])cc(C=O)c1 114341588 572099060 /nfs/dbraw/zinc/09/90/60/572099060.db2.gz UBMFGSPAKDXXHX-IHWYPQMZSA-N -1 3 192.214 1.864 10 0 ADAEHM O=Nc1cccc([O-])c1 34617050 572100171 /nfs/dbraw/zinc/10/01/71/572100171.db2.gz LHISAEQORNEGAX-UHFFFAOYSA-N -1 3 123.111 1.790 10 0 ADAEHM O=C[N-]C(=O)OCc1ccccc1 34605676 572100417 /nfs/dbraw/zinc/10/04/17/572100417.db2.gz MOHPYKFLBCIJGF-UHFFFAOYSA-N -1 3 179.175 1.069 10 0 ADAEHM CC(C)[C@H](N)c1ccc(C(=O)[O-])o1 34639724 572101714 /nfs/dbraw/zinc/10/17/14/572101714.db2.gz STOSTTHZAORHIE-QMMMGPOBSA-N -1 3 183.207 1.634 10 0 ADAEHM COc1ccc2oc(=O)[n-]c2c1F 34626700 572102186 /nfs/dbraw/zinc/10/21/86/572102186.db2.gz VGRFJQYZOPFZGN-UHFFFAOYSA-N -1 3 183.138 1.269 10 0 ADAEHM COc1cc([O-])cc(OC)c1N=O 34723324 572104604 /nfs/dbraw/zinc/10/46/04/572104604.db2.gz KSLGOKYQKKKRIC-UHFFFAOYSA-N -1 3 183.163 1.807 10 0 ADAEHM C[C@H]1C[C@@H]1NCc1occc1C(=O)[O-] 235624351 572106290 /nfs/dbraw/zinc/10/62/90/572106290.db2.gz WLVXGVXMQSHHOQ-XPUUQOCRSA-N -1 3 195.218 1.476 10 0 ADAEHM CN(C)c1ncnc2c([O-])cccc12 34743140 572109076 /nfs/dbraw/zinc/10/90/76/572109076.db2.gz XQJCOVPCTLPKLM-UHFFFAOYSA-N -1 3 189.218 1.401 10 0 ADAEHM O=C1CCc2c1ccc1n[n-]nc21 35033531 572116862 /nfs/dbraw/zinc/11/68/62/572116862.db2.gz OTRGHFMJBYMHQT-UHFFFAOYSA-N -1 3 173.175 1.087 10 0 ADAEHM CC(=O)c1cc([O-])c(F)cc1O 196193740 572119989 /nfs/dbraw/zinc/11/99/89/572119989.db2.gz OIIWLSGGMNOFKF-UHFFFAOYSA-N -1 3 170.139 1.440 10 0 ADAEHM CCn1[n-]c(-c2ccccc2)nc1=O 196193312 572120963 /nfs/dbraw/zinc/12/09/63/572120963.db2.gz VNPRYGJPPLAOJU-UHFFFAOYSA-N -1 3 189.218 1.258 10 0 ADAEHM S=C1[N-]C=COc2ccccc21 196191360 572121629 /nfs/dbraw/zinc/12/16/29/572121629.db2.gz NXJBONCOOSEVII-UHFFFAOYSA-N -1 3 177.228 1.815 10 0 ADAEHM CCCC(=O)[N-]C(=O)OC(C)(C)C 196184608 572126935 /nfs/dbraw/zinc/12/69/35/572126935.db2.gz OPBRAKQGNHTBTP-UHFFFAOYSA-N -1 3 187.239 1.838 10 0 ADAEHM O=C([O-])CCCCNc1ccncc1 69731979 572135686 /nfs/dbraw/zinc/13/56/86/572135686.db2.gz BDVPFPMVSJQIPK-UHFFFAOYSA-N -1 3 194.234 1.748 10 0 ADAEHM N#CCCCN(CCC(=O)[O-])C1CC1 37474159 572139081 /nfs/dbraw/zinc/13/90/81/572139081.db2.gz QYDZTOWTZFNLFL-UHFFFAOYSA-N -1 3 196.250 1.229 10 0 ADAEHM C[C@H](CCC(=O)[O-])Nc1ccncc1 69838130 572145684 /nfs/dbraw/zinc/14/56/84/572145684.db2.gz UUDSFAHTGCNOBY-MRVPVSSYSA-N -1 3 194.234 1.747 10 0 ADAEHM C[C@H](CCC(=O)[O-])Nc1nccn1C 69838178 572145857 /nfs/dbraw/zinc/14/58/57/572145857.db2.gz YNWYDMFXHDKSJV-SSDOTTSWSA-N -1 3 197.238 1.085 10 0 ADAEHM C[C@@H](CCC(=O)[O-])Nc1nccn1C 69838177 572147190 /nfs/dbraw/zinc/14/71/90/572147190.db2.gz YNWYDMFXHDKSJV-ZETCQYMHSA-N -1 3 197.238 1.085 10 0 ADAEHM C[C@@H](CCC(=O)[O-])Nc1ccncc1 69838129 572147540 /nfs/dbraw/zinc/14/75/40/572147540.db2.gz UUDSFAHTGCNOBY-QMMMGPOBSA-N -1 3 194.234 1.747 10 0 ADAEHM Cc1nc(CCC(C)C)[n-]c(=O)c1C 43374137 572155446 /nfs/dbraw/zinc/15/54/46/572155446.db2.gz WTQILJDSWDZLHR-UHFFFAOYSA-N -1 3 194.278 1.975 10 0 ADAEHM Cc1cc(C=O)cc(CO)c1[O-] 35325333 572158621 /nfs/dbraw/zinc/15/86/21/572158621.db2.gz WBSUGLVSOKUVFY-UHFFFAOYSA-N -1 3 166.176 1.005 10 0 ADAEHM COC(=O)C(=C(C)[O-])c1cccs1 71507703 572164622 /nfs/dbraw/zinc/16/46/22/572164622.db2.gz PHSAQZOBEFUNRF-MRVPVSSYSA-N -1 3 198.243 1.594 10 0 ADAEHM CC[C@@H](Nc1ccncc1)C(=O)[O-] 35410921 572169345 /nfs/dbraw/zinc/16/93/45/572169345.db2.gz ZCTLLTIUDPFWLZ-MRVPVSSYSA-N -1 3 180.207 1.357 10 0 ADAEHM CC[C@H](Nc1ccncc1)C(=O)[O-] 35410920 572169626 /nfs/dbraw/zinc/16/96/26/572169626.db2.gz ZCTLLTIUDPFWLZ-QMMMGPOBSA-N -1 3 180.207 1.357 10 0 ADAEHM CCc1nc2onc(CC)c2c(=O)[n-]1 35475891 572176266 /nfs/dbraw/zinc/17/62/66/572176266.db2.gz GNVXBBIMWSDGLQ-UHFFFAOYSA-N -1 3 193.206 1.036 10 0 ADAEHM CCCCN1CCC(=CC(=O)[O-])CC1 71507540 572177433 /nfs/dbraw/zinc/17/74/33/572177433.db2.gz UHEVVJFXASFWQA-UHFFFAOYSA-N -1 3 197.278 1.893 10 0 ADAEHM COc1c([O-])c2ccccc2n1OC 35784433 572185187 /nfs/dbraw/zinc/18/51/87/572185187.db2.gz IXXUTSWQPHFMSO-JTQLQIEISA-N -1 3 193.202 1.223 10 0 ADAEHM CC(C)C[C@H](C)CN1CC(=O)[N-]C1=O 300967171 572185632 /nfs/dbraw/zinc/18/56/32/572185632.db2.gz RRJUBOCRHMLKRM-QMMMGPOBSA-N -1 3 198.266 1.220 10 0 ADAEHM CC(C)C[C@@H](C)CN1CC(=O)[N-]C1=O 300967170 572186273 /nfs/dbraw/zinc/18/62/73/572186273.db2.gz RRJUBOCRHMLKRM-MRVPVSSYSA-N -1 3 198.266 1.220 10 0 ADAEHM O=C1NCCCN1c1ccccc1[O-] 35803494 572187194 /nfs/dbraw/zinc/18/71/94/572187194.db2.gz IORLQTNEVDQQHI-UHFFFAOYSA-N -1 3 192.218 1.312 10 0 ADAEHM O=c1ccnc([C@H]2Cc3ccccc32)[n-]1 83120182 572187608 /nfs/dbraw/zinc/18/76/08/572187608.db2.gz GJHSUGDIGUWIHX-JTQLQIEISA-N -1 3 198.225 1.458 10 0 ADAEHM CC(C)[C@@H](N)c1ccc(C(=O)[O-])o1 35929107 572188529 /nfs/dbraw/zinc/18/85/29/572188529.db2.gz STOSTTHZAORHIE-MRVPVSSYSA-N -1 3 183.207 1.634 10 0 ADAEHM O=Cc1noc(-c2ccc([O-])cc2)n1 249898115 572194401 /nfs/dbraw/zinc/19/44/01/572194401.db2.gz GCFMCWHQXDIVEZ-UHFFFAOYSA-N -1 3 190.158 1.255 10 0 ADAEHM CCOc1cc(C=O)cc(N)c1[O-] 36225083 572197090 /nfs/dbraw/zinc/19/70/90/572197090.db2.gz GMDGFNWZHRTBHL-UHFFFAOYSA-N -1 3 181.191 1.186 10 0 ADAEHM CCc1ccc2c(c1)CC(=O)[N-]C2=O 36244069 572199323 /nfs/dbraw/zinc/19/93/23/572199323.db2.gz FMZHMXPBYKBGLK-UHFFFAOYSA-N -1 3 189.214 1.062 10 0 ADAEHM CCN(C)C(=O)c1cc([O-])ccc1F 334715720 572200694 /nfs/dbraw/zinc/20/06/94/572200694.db2.gz TYHLHEFBWOYAOE-UHFFFAOYSA-N -1 3 197.209 1.623 10 0 ADAEHM Cc1ccc([C@@](C)(N)C(=O)[O-])cc1C 19802904 572201709 /nfs/dbraw/zinc/20/17/09/572201709.db2.gz AQEILAYCDYOHRS-LLVKDONJSA-N -1 3 193.246 1.562 10 0 ADAEHM CCCC(=O)c1ccc([O-])c(N)c1 36262901 572201839 /nfs/dbraw/zinc/20/18/39/572201839.db2.gz KPWQXRCOAIRWLP-UHFFFAOYSA-N -1 3 179.219 1.957 10 0 ADAEHM CC(C)C(=O)c1ccc([O-])c(N)c1 36262905 572201875 /nfs/dbraw/zinc/20/18/75/572201875.db2.gz KCRGKYXFBYXNIT-UHFFFAOYSA-N -1 3 179.219 1.813 10 0 ADAEHM Cc1ccc([C@](C)(N)C(=O)[O-])cc1C 19802905 572202195 /nfs/dbraw/zinc/20/21/95/572202195.db2.gz AQEILAYCDYOHRS-NSHDSACASA-N -1 3 193.246 1.562 10 0 ADAEHM CC[C@@H](C)NC(=O)c1ccc([O-])cc1 19837201 572204074 /nfs/dbraw/zinc/20/40/74/572204074.db2.gz DUBZZYGRDSINQE-MRVPVSSYSA-N -1 3 193.246 1.921 10 0 ADAEHM CC(C)CNC(=O)c1ccc([O-])cc1 19837238 572204420 /nfs/dbraw/zinc/20/44/20/572204420.db2.gz IKMQQKUHBLRURG-UHFFFAOYSA-N -1 3 193.246 1.778 10 0 ADAEHM CC(C)N(C)C(=O)c1ccc([O-])cc1 19837653 572204923 /nfs/dbraw/zinc/20/49/23/572204923.db2.gz DWQDCBFXKOPQKB-UHFFFAOYSA-N -1 3 193.246 1.873 10 0 ADAEHM CC[C@H](C)NC(=O)c1ccc([O-])cc1 19837203 572205203 /nfs/dbraw/zinc/20/52/03/572205203.db2.gz DUBZZYGRDSINQE-QMMMGPOBSA-N -1 3 193.246 1.921 10 0 ADAEHM CN(C)c1ccc2c([O-])coc2c1 113043209 572208620 /nfs/dbraw/zinc/20/86/20/572208620.db2.gz PDMMKUIEJXSWSB-UHFFFAOYSA-N -1 3 177.203 1.328 10 0 ADAEHM CCO[N-]C(=O)/C=C/c1ccc(C)o1 70268048 572213337 /nfs/dbraw/zinc/21/33/37/572213337.db2.gz JFARSJGILOEOGO-VOTSOKGWSA-N -1 3 195.218 1.669 10 0 ADAEHM O=C(N[O-])Nc1cccc(F)c1 36466467 572213444 /nfs/dbraw/zinc/21/34/44/572213444.db2.gz JXPZPTGELLZLLY-UHFFFAOYSA-N -1 3 170.143 1.336 10 0 ADAEHM CC1=C([O-])[C@@H](C)CCC1=O 36466155 572213478 /nfs/dbraw/zinc/21/34/78/572213478.db2.gz VTJKYDIKNUBBNW-WDSKDSINSA-N -1 3 140.182 1.191 10 0 ADAEHM CC1=C([O-])CC[C@H](C)C1=O 36466155 572213481 /nfs/dbraw/zinc/21/34/81/572213481.db2.gz VTJKYDIKNUBBNW-WDSKDSINSA-N -1 3 140.182 1.191 10 0 ADAEHM CCON=C([O-])Oc1ccccc1 70267227 572213564 /nfs/dbraw/zinc/21/35/64/572213564.db2.gz VTGXOXTWCNRXNH-UHFFFAOYSA-N -1 3 181.191 1.727 10 0 ADAEHM CCO[N-]C(=O)Oc1ccccc1 70267227 572213566 /nfs/dbraw/zinc/21/35/66/572213566.db2.gz VTGXOXTWCNRXNH-UHFFFAOYSA-N -1 3 181.191 1.727 10 0 ADAEHM CC(C)=Cc1n[nH]c(=S)[n-]1 36470995 572214098 /nfs/dbraw/zinc/21/40/98/572214098.db2.gz WUHAJOVYFCEOTF-UHFFFAOYSA-N -1 3 155.226 1.890 10 0 ADAEHM CCCN1CCC(=CC(=O)[O-])CC1 20259904 572214879 /nfs/dbraw/zinc/21/48/79/572214879.db2.gz NSCUSWSCYSJESK-UHFFFAOYSA-N -1 3 183.251 1.503 10 0 ADAEHM Cc1nc(CC(=O)[O-])c2ccccn12 20263822 572214951 /nfs/dbraw/zinc/21/49/51/572214951.db2.gz KODGZDFXXJYUAM-UHFFFAOYSA-N -1 3 190.202 1.270 10 0 ADAEHM CCOC(=O)c1[n-]nc2c1CC=C2 140436721 572216311 /nfs/dbraw/zinc/21/63/11/572216311.db2.gz ARCQSBHQBYKAER-UHFFFAOYSA-N -1 3 178.191 1.156 10 0 ADAEHM CCOC(=O)c1n[n-]c2c1CC=C2 140436721 572216315 /nfs/dbraw/zinc/21/63/15/572216315.db2.gz ARCQSBHQBYKAER-UHFFFAOYSA-N -1 3 178.191 1.156 10 0 ADAEHM Cc1nc(N)c(C(=O)[O-])c(C)c1C 20272876 572216477 /nfs/dbraw/zinc/21/64/77/572216477.db2.gz VXWNFZDLBUVTPX-UHFFFAOYSA-N -1 3 180.207 1.287 10 0 ADAEHM CCc1cc(=O)[n-]c(CC(C)C)n1 36755166 572221693 /nfs/dbraw/zinc/22/16/93/572221693.db2.gz XJUFLQKEZDEZJC-UHFFFAOYSA-N -1 3 180.251 1.531 10 0 ADAEHM CCc1c(CC(C)C)nc[n-]c1=O 234113627 572225975 /nfs/dbraw/zinc/22/59/75/572225975.db2.gz PJBKEFAAVOBVRF-UHFFFAOYSA-N -1 3 180.251 1.531 10 0 ADAEHM CCCSCc1nccc(=O)[n-]1 83486643 572226920 /nfs/dbraw/zinc/22/69/20/572226920.db2.gz BJOCCYPKDRJYFA-UHFFFAOYSA-N -1 3 184.264 1.413 10 0 ADAEHM CC(C)CSCc1nccc(=O)[n-]1 83491294 572227587 /nfs/dbraw/zinc/22/75/87/572227587.db2.gz HZMZCUOEMGGOIL-UHFFFAOYSA-N -1 3 198.291 1.659 10 0 ADAEHM CC(C)[C@H](Nc1ccncc1)C(=O)[O-] 36978541 572230079 /nfs/dbraw/zinc/23/00/79/572230079.db2.gz FWKYTYRXGRKWJO-VIFPVBQESA-N -1 3 194.234 1.603 10 0 ADAEHM O=c1ccnc(-c2ccc(O)cc2)[n-]1 36882155 572229014 /nfs/dbraw/zinc/22/90/14/572229014.db2.gz NQWOBTFCVUGBOX-UHFFFAOYSA-N -1 3 188.186 1.143 10 0 ADAEHM CCc1nc(CC(C)C)c(C)c(=O)[n-]1 234121176 572230449 /nfs/dbraw/zinc/23/04/49/572230449.db2.gz HDARKNNOLYVTET-UHFFFAOYSA-N -1 3 194.278 1.839 10 0 ADAEHM CC(C)[C@@H](Nc1ccncc1)C(=O)[O-] 36978543 572231419 /nfs/dbraw/zinc/23/14/19/572231419.db2.gz FWKYTYRXGRKWJO-SECBINFHSA-N -1 3 194.234 1.603 10 0 ADAEHM CC[C@@H](C)SCc1nccc(=O)[n-]1 83498231 572232635 /nfs/dbraw/zinc/23/26/35/572232635.db2.gz CPBCTBKWTYHQRJ-SSDOTTSWSA-N -1 3 198.291 1.802 10 0 ADAEHM CC[C@H](C)SCc1nccc(=O)[n-]1 83498232 572234267 /nfs/dbraw/zinc/23/42/67/572234267.db2.gz CPBCTBKWTYHQRJ-ZETCQYMHSA-N -1 3 198.291 1.802 10 0 ADAEHM Nc1[n-]c(=O)nc2cc(Cl)ccc12 205084823 572237499 /nfs/dbraw/zinc/23/74/99/572237499.db2.gz TZMFUMMXGKGPCH-UHFFFAOYSA-N -1 3 195.609 1.159 10 0 ADAEHM CC(C)O[N-]C(=O)C[C@@H]1C[C@@H]1C1CC1 712061841 572251370 /nfs/dbraw/zinc/25/13/70/572251370.db2.gz GWPSAPPAUOWUOX-VHSXEESVSA-N -1 3 197.278 1.879 10 0 ADAEHM CC(C)O[N-]C(=O)C[C@H]1C[C@@H]1C1CC1 712061834 572250765 /nfs/dbraw/zinc/25/07/65/572250765.db2.gz GWPSAPPAUOWUOX-NXEZZACHSA-N -1 3 197.278 1.879 10 0 ADAEHM CC(C)O[N-]C(=O)C[C@H]1C[C@H]1C1CC1 712061845 572251325 /nfs/dbraw/zinc/25/13/25/572251325.db2.gz GWPSAPPAUOWUOX-ZJUUUORDSA-N -1 3 197.278 1.879 10 0 ADAEHM CC(C)O[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 712061838 572252476 /nfs/dbraw/zinc/25/24/76/572252476.db2.gz GWPSAPPAUOWUOX-UWVGGRQHSA-N -1 3 197.278 1.879 10 0 ADAEHM CCCC(C)(C)CC(=O)[N-]OC 307975413 572327716 /nfs/dbraw/zinc/32/77/16/572327716.db2.gz KNHFVELHVJVBHN-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM COC(OC)c1ccnc(=S)[n-]1 59974404 572330543 /nfs/dbraw/zinc/33/05/43/572330543.db2.gz PCXZVJZHPCQDTC-UHFFFAOYSA-N -1 3 186.236 1.057 10 0 ADAEHM S=C1[N-][C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2CO1 196743592 572334035 /nfs/dbraw/zinc/33/40/35/572334035.db2.gz VCGUTLICLVHWNJ-OSMVPFSASA-N -1 3 181.260 1.082 10 0 ADAEHM S=C1[N-]C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2O1 196743625 572334073 /nfs/dbraw/zinc/33/40/73/572334073.db2.gz RJVXCZVDXPLLSN-OSMVPFSASA-N -1 3 183.276 1.306 10 0 ADAEHM S=C1[N-]C[C@H]2[C@@H](O1)[C@@H]1C=C[C@H]2C1 196743612 572334843 /nfs/dbraw/zinc/33/48/43/572334843.db2.gz XGEMUBMYKIJHFE-OSMVPFSASA-N -1 3 181.260 1.082 10 0 ADAEHM C[Si](C)(C)c1ccc(C=O)c([O-])c1 196743819 572335015 /nfs/dbraw/zinc/33/50/15/572335015.db2.gz SGCNOVLEZGVPGG-UHFFFAOYSA-N -1 3 194.306 1.750 10 0 ADAEHM CC(C)N[C@H](C(=O)[O-])c1ccccn1 77295334 572336967 /nfs/dbraw/zinc/33/69/67/572336967.db2.gz BBLFRVSXRWILPV-VIFPVBQESA-N -1 3 194.234 1.205 10 0 ADAEHM O=C([O-])[C@H](NCC1CC1)c1ccco1 77295663 572337913 /nfs/dbraw/zinc/33/79/13/572337913.db2.gz XGIZQMDUUGZSDU-SECBINFHSA-N -1 3 195.218 1.405 10 0 ADAEHM CC(C)N[C@@H](C(=O)[O-])c1ccccn1 77295336 572338309 /nfs/dbraw/zinc/33/83/09/572338309.db2.gz BBLFRVSXRWILPV-SECBINFHSA-N -1 3 194.234 1.205 10 0 ADAEHM O=C([O-])[C@@H](NCC1CC1)c1ccco1 77295661 572338345 /nfs/dbraw/zinc/33/83/45/572338345.db2.gz XGIZQMDUUGZSDU-VIFPVBQESA-N -1 3 195.218 1.405 10 0 ADAEHM C[C@@H]1C[C@@H]1NC(=O)c1ccc([O-])cc1 52293467 572339921 /nfs/dbraw/zinc/33/99/21/572339921.db2.gz WAMWMPMRYLFXHI-XCBNKYQSSA-N -1 3 191.230 1.530 10 0 ADAEHM C[C@H]1C[C@H]1NC(=O)c1ccc([O-])cc1 52293475 572340669 /nfs/dbraw/zinc/34/06/69/572340669.db2.gz WAMWMPMRYLFXHI-OIBJUYFYSA-N -1 3 191.230 1.530 10 0 ADAEHM C[C@@H]1C[C@H]1NC(=O)c1ccc([O-])cc1 52293473 572340975 /nfs/dbraw/zinc/34/09/75/572340975.db2.gz WAMWMPMRYLFXHI-GMSGAONNSA-N -1 3 191.230 1.530 10 0 ADAEHM CC[C@@H](CNc1ccncc1)C(=O)[O-] 83603423 572341156 /nfs/dbraw/zinc/34/11/56/572341156.db2.gz IVCBNSAGERAURE-QMMMGPOBSA-N -1 3 194.234 1.604 10 0 ADAEHM C[C@H]1C[C@@H]1NC(=O)c1ccc([O-])cc1 52293470 572341887 /nfs/dbraw/zinc/34/18/87/572341887.db2.gz WAMWMPMRYLFXHI-XVKPBYJWSA-N -1 3 191.230 1.530 10 0 ADAEHM CC[C@H](CNc1ccncc1)C(=O)[O-] 83603424 572341916 /nfs/dbraw/zinc/34/19/16/572341916.db2.gz IVCBNSAGERAURE-MRVPVSSYSA-N -1 3 194.234 1.604 10 0 ADAEHM O=C1[N-][C@@H]2CC=C[C@H]2C1(Cl)Cl 196619170 572346753 /nfs/dbraw/zinc/34/67/53/572346753.db2.gz GYJFIYDZTXILCF-RFZPGFLSSA-N -1 3 192.045 1.235 10 0 ADAEHM O=C1[N-][C@H]2CC=C[C@H]2C1(Cl)Cl 196619185 572346569 /nfs/dbraw/zinc/34/65/69/572346569.db2.gz GYJFIYDZTXILCF-UHNVWZDZSA-N -1 3 192.045 1.235 10 0 ADAEHM Cc1ncc(CO)c(/C=C\Cl)c1[O-] 307990584 572347667 /nfs/dbraw/zinc/34/76/67/572347667.db2.gz NJPXTOCXRRIVLC-IHWYPQMZSA-N -1 3 199.637 1.797 10 0 ADAEHM CN[C@H](CC(=O)[O-])c1ccccc1F 83611612 572349094 /nfs/dbraw/zinc/34/90/94/572349094.db2.gz GVJANPZMIDOAKI-SECBINFHSA-N -1 3 197.209 1.561 10 0 ADAEHM CN[C@@H](CC(=O)[O-])c1ccccc1F 83611611 572350646 /nfs/dbraw/zinc/35/06/46/572350646.db2.gz GVJANPZMIDOAKI-VIFPVBQESA-N -1 3 197.209 1.561 10 0 ADAEHM NC(=O)CCCc1ccc([O-])cc1F 238644492 572354208 /nfs/dbraw/zinc/35/42/08/572354208.db2.gz MNYDRMMQLDPKNP-UHFFFAOYSA-N -1 3 197.209 1.339 10 0 ADAEHM CSc1nc2ncc[n-]c-2n1 140999371 572362149 /nfs/dbraw/zinc/36/21/49/572362149.db2.gz XHSLZGREQUJKQH-UHFFFAOYSA-N -1 3 166.209 1.075 10 0 ADAEHM CSc1nc2nccnc2[n-]1 140999371 572362154 /nfs/dbraw/zinc/36/21/54/572362154.db2.gz XHSLZGREQUJKQH-UHFFFAOYSA-N -1 3 166.209 1.075 10 0 ADAEHM CC[C@@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 141005544 572362976 /nfs/dbraw/zinc/36/29/76/572362976.db2.gz LASVVOUGFBNMDI-RITPCOANSA-N -1 3 189.280 1.291 10 0 ADAEHM CC[C@H]1N[C@H](C(=O)[O-])C(C)(C)S1 141006069 572363512 /nfs/dbraw/zinc/36/35/12/572363512.db2.gz LASVVOUGFBNMDI-NTSWFWBYSA-N -1 3 189.280 1.291 10 0 ADAEHM CC[C@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 141005723 572363726 /nfs/dbraw/zinc/36/37/26/572363726.db2.gz LASVVOUGFBNMDI-WDSKDSINSA-N -1 3 189.280 1.291 10 0 ADAEHM CCC/C=C/COC([O-])=NC(N)=O 307993582 572367460 /nfs/dbraw/zinc/36/74/60/572367460.db2.gz SWCXDCFVUXVBRU-SNAWJCMRSA-N -1 3 186.211 1.148 10 0 ADAEHM CCC/C=C/COC(=O)N=C(N)[O-] 307993582 572367465 /nfs/dbraw/zinc/36/74/65/572367465.db2.gz SWCXDCFVUXVBRU-SNAWJCMRSA-N -1 3 186.211 1.148 10 0 ADAEHM CCC/C=C/COC(=O)[N-]C(N)=O 307993582 572367470 /nfs/dbraw/zinc/36/74/70/572367470.db2.gz SWCXDCFVUXVBRU-SNAWJCMRSA-N -1 3 186.211 1.148 10 0 ADAEHM O=c1cc(Cl)[n-]c(CO)c1Cl 44198826 572367513 /nfs/dbraw/zinc/36/75/13/572367513.db2.gz AJCISNXYLAFPJL-UHFFFAOYSA-N -1 3 194.017 1.586 10 0 ADAEHM CSCCCN(C)/C=C\C(=O)[O-] 307992689 572367613 /nfs/dbraw/zinc/36/76/13/572367613.db2.gz YKOPBNLGUROJJI-XQRVVYSFSA-N -1 3 189.280 1.270 10 0 ADAEHM COc1ccc(CO)c(Cl)c1[O-] 44198598 572367929 /nfs/dbraw/zinc/36/79/29/572367929.db2.gz MTVDPZSNCCHSHA-UHFFFAOYSA-N -1 3 188.610 1.547 10 0 ADAEHM C/C(=C/Cl)CN(C)CCC(=O)[O-] 307992675 572367968 /nfs/dbraw/zinc/36/79/68/572367968.db2.gz YGKNDCFDRKJTSA-ALCCZGGFSA-N -1 3 191.658 1.536 10 0 ADAEHM [O-]c1ccc2ccc[n+]([O-])c2c1 117056612 572368643 /nfs/dbraw/zinc/36/86/43/572368643.db2.gz WNODKGBICASMHP-UHFFFAOYSA-N -1 3 161.160 1.179 10 0 ADAEHM C/C(=C\c1cnccc1N)C(=O)[O-] 44224003 572369321 /nfs/dbraw/zinc/36/93/21/572369321.db2.gz URUUEYFFVLXZTF-GQCTYLIASA-N -1 3 178.191 1.152 10 0 ADAEHM COc1ccc(C2OCCO2)c([O-])c1 44227411 572372230 /nfs/dbraw/zinc/37/22/30/572372230.db2.gz VHAQHZWOVDBTMO-UHFFFAOYSA-N -1 3 196.202 1.446 10 0 ADAEHM Cc1cc(F)cc(C2OCCO2)c1[O-] 44231663 572373802 /nfs/dbraw/zinc/37/38/02/572373802.db2.gz MEXUTUCXSQRAEP-UHFFFAOYSA-N -1 3 198.193 1.885 10 0 ADAEHM CCCCOC([S-])=NC(=O)CC 238221545 572373947 /nfs/dbraw/zinc/37/39/47/572373947.db2.gz JATLPNHOJIEVRD-UHFFFAOYSA-N -1 3 189.280 1.614 10 0 ADAEHM CCCCOC(=S)[N-]C(=O)CC 238221545 572373949 /nfs/dbraw/zinc/37/39/49/572373949.db2.gz JATLPNHOJIEVRD-UHFFFAOYSA-N -1 3 189.280 1.614 10 0 ADAEHM Cc1ccc(C2OCCO2)c([O-])c1 44229731 572374350 /nfs/dbraw/zinc/37/43/50/572374350.db2.gz LYNDRGIOOWMJCE-UHFFFAOYSA-N -1 3 180.203 1.746 10 0 ADAEHM [O-]c1ccc(F)cc1C1OCCO1 44229777 572374445 /nfs/dbraw/zinc/37/44/45/572374445.db2.gz MZXPHAXEHAKNLP-UHFFFAOYSA-N -1 3 184.166 1.577 10 0 ADAEHM [O-]c1cc(O)ccc1C1OCCO1 44227836 572374943 /nfs/dbraw/zinc/37/49/43/572374943.db2.gz FYVDARYNTGPGJX-UHFFFAOYSA-N -1 3 182.175 1.143 10 0 ADAEHM CSc1c(C)nc(C)[n-]c1=O 76597973 572376491 /nfs/dbraw/zinc/37/64/91/572376491.db2.gz HZRWHMNLWCXAQH-UHFFFAOYSA-N -1 3 170.237 1.109 10 0 ADAEHM CCC[C@H](CC)[C@@H]1NC(=O)[N-]C1=O 238222977 572379300 /nfs/dbraw/zinc/37/93/00/572379300.db2.gz AANZQZTUJJMRSA-BQBZGAKWSA-N -1 3 184.239 1.021 10 0 ADAEHM CCC[C@H](CC)OC([O-])=NC(N)=O 238222778 572379454 /nfs/dbraw/zinc/37/94/54/572379454.db2.gz DJXNMIYKDHLMRP-LURJTMIESA-N -1 3 188.227 1.370 10 0 ADAEHM CCC[C@H](CC)OC(=O)N=C(N)[O-] 238222778 572379460 /nfs/dbraw/zinc/37/94/60/572379460.db2.gz DJXNMIYKDHLMRP-LURJTMIESA-N -1 3 188.227 1.370 10 0 ADAEHM CCC[C@H](CC)OC(=O)[N-]C(N)=O 238222778 572379463 /nfs/dbraw/zinc/37/94/63/572379463.db2.gz DJXNMIYKDHLMRP-LURJTMIESA-N -1 3 188.227 1.370 10 0 ADAEHM CCCCCc1sc(N)nc1[O-] 238223186 572380814 /nfs/dbraw/zinc/38/08/14/572380814.db2.gz LHNGXDVCDBOORH-LURJTMIESA-N -1 3 186.280 1.523 10 0 ADAEHM CCC[C@H](CC)[C@H]1NC(=O)[N-]C1=O 238223075 572381223 /nfs/dbraw/zinc/38/12/23/572381223.db2.gz AANZQZTUJJMRSA-NKWVEPMBSA-N -1 3 184.239 1.021 10 0 ADAEHM NCc1ccc(CCCC(=O)[O-])s1 238679382 572384293 /nfs/dbraw/zinc/38/42/93/572384293.db2.gz QYVAFBOVDQCISR-UHFFFAOYSA-N -1 3 199.275 1.614 10 0 ADAEHM [O-]C(=CCC(F)(F)F)c1nc[nH]n1 83745759 572387047 /nfs/dbraw/zinc/38/70/47/572387047.db2.gz UVTRETSDHJZLPJ-UHFFFAOYSA-N -1 3 193.128 1.330 10 0 ADAEHM CC1(C)[C@@H]2CC[C@]13[N-]C(=S)O[C@@H]3C2 238226489 572387108 /nfs/dbraw/zinc/38/71/08/572387108.db2.gz KVZVFVZCCCSAAN-BRDIYROLSA-N -1 3 197.303 1.838 10 0 ADAEHM O=Cc1c([O-])cccc1CCCO 238685445 572389604 /nfs/dbraw/zinc/38/96/04/572389604.db2.gz USFSXUYYGPLLQC-UHFFFAOYSA-N -1 3 180.203 1.130 10 0 ADAEHM Cn1c(C=O)cc2c([O-])cccc21 76600709 572392171 /nfs/dbraw/zinc/39/21/71/572392171.db2.gz NEKVZLXZAORUHK-UHFFFAOYSA-N -1 3 175.187 1.696 10 0 ADAEHM CCCc1nc(OC(C)C)cc(=O)[n-]1 238228735 572395004 /nfs/dbraw/zinc/39/50/04/572395004.db2.gz MFMSXRGWRHHJEK-UHFFFAOYSA-N -1 3 196.250 1.510 10 0 ADAEHM CCCCNC(=O)[N-]C(=O)OCC 238229655 572396792 /nfs/dbraw/zinc/39/67/92/572396792.db2.gz AVWNUENAOYVNHI-UHFFFAOYSA-N -1 3 188.227 1.242 10 0 ADAEHM CCC(CC)C[C@@H]1NC(=O)[N-]C1=O 238228923 572397711 /nfs/dbraw/zinc/39/77/11/572397711.db2.gz JERSAAXLSULBEP-ZETCQYMHSA-N -1 3 184.239 1.021 10 0 ADAEHM CCC(CC)C[C@H]1NC(=O)[N-]C1=O 238229140 572397731 /nfs/dbraw/zinc/39/77/31/572397731.db2.gz JERSAAXLSULBEP-SSDOTTSWSA-N -1 3 184.239 1.021 10 0 ADAEHM CCCc1nc(SCC)cc(=O)[n-]1 238229441 572397761 /nfs/dbraw/zinc/39/77/61/572397761.db2.gz WSFZBXWOOGOYTK-UHFFFAOYSA-N -1 3 198.291 1.834 10 0 ADAEHM CCCc1nc(OCC)cc(=O)[n-]1 238228825 572397811 /nfs/dbraw/zinc/39/78/11/572397811.db2.gz GUZRNTMWYVNRBU-UHFFFAOYSA-N -1 3 182.223 1.121 10 0 ADAEHM [O-]c1ccccc1Oc1cccnn1 52831698 572400389 /nfs/dbraw/zinc/40/03/89/572400389.db2.gz AADZTRDPTMOUHN-UHFFFAOYSA-N -1 3 188.186 1.975 10 0 ADAEHM CCCCOCc1cnc(C)[n-]c1=O 238231488 572401209 /nfs/dbraw/zinc/40/12/09/572401209.db2.gz BJXBIYXEDXFADY-UHFFFAOYSA-N -1 3 196.250 1.395 10 0 ADAEHM O=C([O-])c1ccc(CNC2CC2)nc1 87223469 572403646 /nfs/dbraw/zinc/40/36/46/572403646.db2.gz XDXVCSIUTKJUFK-UHFFFAOYSA-N -1 3 192.218 1.032 10 0 ADAEHM CCC[C@@H](CC)OC([O-])=NC(N)=O 238795158 572409030 /nfs/dbraw/zinc/40/90/30/572409030.db2.gz DJXNMIYKDHLMRP-ZCFIWIBFSA-N -1 3 188.227 1.370 10 0 ADAEHM CCC[C@@H](CC)OC(=O)N=C(N)[O-] 238795158 572409032 /nfs/dbraw/zinc/40/90/32/572409032.db2.gz DJXNMIYKDHLMRP-ZCFIWIBFSA-N -1 3 188.227 1.370 10 0 ADAEHM CCC[C@@H](CC)OC(=O)[N-]C(N)=O 238795158 572409037 /nfs/dbraw/zinc/40/90/37/572409037.db2.gz DJXNMIYKDHLMRP-ZCFIWIBFSA-N -1 3 188.227 1.370 10 0 ADAEHM O=Cc1cccc(OCC2CC2)c1[O-] 238715131 572409670 /nfs/dbraw/zinc/40/96/70/572409670.db2.gz JHZPYXZEJADUGI-UHFFFAOYSA-N -1 3 192.214 1.994 10 0 ADAEHM CCC[C@@H](CC)[C@H]1NC(=O)[N-]C1=O 238795183 572409491 /nfs/dbraw/zinc/40/94/91/572409491.db2.gz AANZQZTUJJMRSA-RNFRBKRXSA-N -1 3 184.239 1.021 10 0 ADAEHM [O-]c1cc(F)ccc1CCCO 44396134 572412567 /nfs/dbraw/zinc/41/25/67/572412567.db2.gz CCNYKZHPHUNBSK-UHFFFAOYSA-N -1 3 170.183 1.456 10 0 ADAEHM CCCC[C@@H]1OC(=O)[N-]C(=O)[C@H]1CC 238795504 572409763 /nfs/dbraw/zinc/40/97/63/572409763.db2.gz ROOGIXAFUOTNIU-YUMQZZPRSA-N -1 3 199.250 1.838 10 0 ADAEHM CCC[C@@H](CC)[C@@H]1NC(=O)[N-]C1=O 238795171 572410556 /nfs/dbraw/zinc/41/05/56/572410556.db2.gz AANZQZTUJJMRSA-RQJHMYQMSA-N -1 3 184.239 1.021 10 0 ADAEHM CCCC[C@@H]1OC(=O)[N-]C(=O)[C@@H]1CC 238795502 572411258 /nfs/dbraw/zinc/41/12/58/572411258.db2.gz ROOGIXAFUOTNIU-SFYZADRCSA-N -1 3 199.250 1.838 10 0 ADAEHM Cn1ncc2[n-]c(Cl)c(C=O)c21 76609009 572411866 /nfs/dbraw/zinc/41/18/66/572411866.db2.gz OZZBLPYBOCAANA-UHFFFAOYSA-N -1 3 183.598 1.367 10 0 ADAEHM [O-]c1ccc(CCCO)cc1F 44396234 572412731 /nfs/dbraw/zinc/41/27/31/572412731.db2.gz QNCQSUWAGGMUMK-UHFFFAOYSA-N -1 3 170.183 1.456 10 0 ADAEHM [O-]c1c(F)cccc1CCCO 44396233 572413014 /nfs/dbraw/zinc/41/30/14/572413014.db2.gz HNYSUJJMJFGIOI-UHFFFAOYSA-N -1 3 170.183 1.456 10 0 ADAEHM [O-]c1ccc(CCCO)cc1Cl 44396214 572413075 /nfs/dbraw/zinc/41/30/75/572413075.db2.gz GJLONCSRFWFJBL-UHFFFAOYSA-N -1 3 186.638 1.971 10 0 ADAEHM CCCOC(=O)c1ccc(C(C)=O)[n-]1 238232802 572414257 /nfs/dbraw/zinc/41/42/57/572414257.db2.gz AEXPSOITMCDSJL-UHFFFAOYSA-N -1 3 195.218 1.784 10 0 ADAEHM C[C@H](N[C@@H](C)c1ccoc1)C(=O)[O-] 87290036 572414421 /nfs/dbraw/zinc/41/44/21/572414421.db2.gz LXQWCYCSWDVBKF-BQBZGAKWSA-N -1 3 183.207 1.403 10 0 ADAEHM C[C@H](N[C@H](C)C(=O)[O-])c1ccoc1 87290038 572415084 /nfs/dbraw/zinc/41/50/84/572415084.db2.gz LXQWCYCSWDVBKF-NKWVEPMBSA-N -1 3 183.207 1.403 10 0 ADAEHM C[C@H](N[C@H](C)c1ccoc1)C(=O)[O-] 87290037 572415724 /nfs/dbraw/zinc/41/57/24/572415724.db2.gz LXQWCYCSWDVBKF-RQJHMYQMSA-N -1 3 183.207 1.403 10 0 ADAEHM C[C@@H](N[C@H](C)c1ccoc1)C(=O)[O-] 87290039 572416877 /nfs/dbraw/zinc/41/68/77/572416877.db2.gz LXQWCYCSWDVBKF-RNFRBKRXSA-N -1 3 183.207 1.403 10 0 ADAEHM C[C@H](c1ccoc1)N(C)CCC(=O)[O-] 87307861 572418003 /nfs/dbraw/zinc/41/80/03/572418003.db2.gz WTAPVFGWAIISHZ-MRVPVSSYSA-N -1 3 197.234 1.747 10 0 ADAEHM Cn1ccc2c3occ([O-])c3ccc21 76632138 572420670 /nfs/dbraw/zinc/42/06/70/572420670.db2.gz VKFQLZYFUYIBLM-UHFFFAOYSA-N -1 3 187.198 1.753 10 0 ADAEHM O=c1cc[n-]c2c(F)c(F)cc(F)c12 61121647 572424791 /nfs/dbraw/zinc/42/47/91/572424791.db2.gz UHPPNPPCEDIYJU-UHFFFAOYSA-N -1 3 199.131 1.945 10 0 ADAEHM CC([S-])=CC(=O)NC(=O)C(C)C 207119692 572428599 /nfs/dbraw/zinc/42/85/99/572428599.db2.gz XICFQIDZNXKLAH-GQCTYLIASA-N -1 3 187.264 1.119 10 0 ADAEHM CCCOC(=O)c1csc(=O)[n-]1 308021860 572433724 /nfs/dbraw/zinc/43/37/24/572433724.db2.gz VXMQIDYDUKCBDP-UHFFFAOYSA-N -1 3 187.220 1.003 10 0 ADAEHM Cc1nc([C@@H](C)N([O-])C(N)=O)oc1C 74236402 572437262 /nfs/dbraw/zinc/43/72/62/572437262.db2.gz YXXDAIPLQXROPC-RXMQYKEDSA-N -1 3 199.210 1.122 10 0 ADAEHM C[C@@]1(c2ccco2)CC[C@@H](C(=O)[O-])N1 76636350 572439741 /nfs/dbraw/zinc/43/97/41/572439741.db2.gz RFVNOQUEFXGSDR-XVKPBYJWSA-N -1 3 195.218 1.331 10 0 ADAEHM CCNC(=O)[N-]C(=O)OCC(C)C 238239919 572440010 /nfs/dbraw/zinc/44/00/10/572440010.db2.gz RJTKHVVHQVVXDA-UHFFFAOYSA-N -1 3 188.227 1.098 10 0 ADAEHM Cc1nn(C)c2c(C=O)c(Cl)[n-]c12 76637458 572442055 /nfs/dbraw/zinc/44/20/55/572442055.db2.gz FBYNWFLINTWRJU-UHFFFAOYSA-N -1 3 197.625 1.676 10 0 ADAEHM CCCCCCn1[n-]c(C)c(N)c1=O 238240105 572442119 /nfs/dbraw/zinc/44/21/19/572442119.db2.gz DWBHDFSNTFPYRM-SECBINFHSA-N -1 3 197.282 1.112 10 0 ADAEHM CCCCCCn1[n-]c(C)c(N)c1=O 238240116 572444210 /nfs/dbraw/zinc/44/42/10/572444210.db2.gz DWBHDFSNTFPYRM-VIFPVBQESA-N -1 3 197.282 1.112 10 0 ADAEHM CC(C)c1onc([C@H](C)N)c1C(=O)[O-] 74238407 572445720 /nfs/dbraw/zinc/44/57/20/572445720.db2.gz AGOJELBEVTXGLN-YFKPBYRVSA-N -1 3 198.222 1.516 10 0 ADAEHM CC(C)C[C@@H](N)c1nocc1C(=O)[O-] 74238412 572446745 /nfs/dbraw/zinc/44/67/45/572446745.db2.gz HBRROVPEBGAITJ-SSDOTTSWSA-N -1 3 198.222 1.419 10 0 ADAEHM S=c1[n-]nc(-c2ccon2)o1 44586586 572452417 /nfs/dbraw/zinc/45/24/17/572452417.db2.gz BZGPFGNUBLDGFM-UHFFFAOYSA-N -1 3 169.165 1.013 10 0 ADAEHM CCc1cc(=O)[n-]c(NCC(C)C)n1 71418501 572451382 /nfs/dbraw/zinc/45/13/82/572451382.db2.gz HBLOVOUTXYLMQL-UHFFFAOYSA-N -1 3 195.266 1.400 10 0 ADAEHM CCCC(C)(C)OC(=O)[N-]C(N)=O 238248298 572454531 /nfs/dbraw/zinc/45/45/31/572454531.db2.gz XZPBDSRFFBZMOL-UHFFFAOYSA-N -1 3 188.227 1.370 10 0 ADAEHM CCCC[C@H]1OC(=O)[N-]C(=O)[C@@H]1CC 238248233 572452600 /nfs/dbraw/zinc/45/26/00/572452600.db2.gz ROOGIXAFUOTNIU-HTQZYQBOSA-N -1 3 199.250 1.838 10 0 ADAEHM CCC[C@H](C(N)=O)c1ncccc1[O-] 238244960 572452658 /nfs/dbraw/zinc/45/26/58/572452658.db2.gz CYSXNHIEFDJUJN-ZETCQYMHSA-N -1 3 194.234 1.156 10 0 ADAEHM CCCC[C@H]1OC(=O)[N-]C(=O)[C@H]1CC 238248242 572453086 /nfs/dbraw/zinc/45/30/86/572453086.db2.gz ROOGIXAFUOTNIU-JGVFFNPUSA-N -1 3 199.250 1.838 10 0 ADAEHM CCCC(C)(C)OC([O-])=NC(N)=O 238248298 572454525 /nfs/dbraw/zinc/45/45/25/572454525.db2.gz XZPBDSRFFBZMOL-UHFFFAOYSA-N -1 3 188.227 1.370 10 0 ADAEHM CCCC(C)(C)OC(=O)N=C(N)[O-] 238248298 572454529 /nfs/dbraw/zinc/45/45/29/572454529.db2.gz XZPBDSRFFBZMOL-UHFFFAOYSA-N -1 3 188.227 1.370 10 0 ADAEHM CCCCNc1nc(CC)cc(=O)[n-]1 71418502 572453333 /nfs/dbraw/zinc/45/33/33/572453333.db2.gz GHJFLEUAOPYNAV-UHFFFAOYSA-N -1 3 195.266 1.544 10 0 ADAEHM CCC(CC)NC(=O)[N-]C(=O)OC 238246855 572454605 /nfs/dbraw/zinc/45/46/05/572454605.db2.gz GAVAJYKYMIUREF-UHFFFAOYSA-N -1 3 188.227 1.241 10 0 ADAEHM CN1CCc2sccc2[C@@H]1C(=O)[O-] 44592197 572454879 /nfs/dbraw/zinc/45/48/79/572454879.db2.gz FLPVKKWAVNZHPA-MRVPVSSYSA-N -1 3 197.259 1.362 10 0 ADAEHM NC(=O)N([O-])[C@@H]1CCCc2occc21 74242603 572455740 /nfs/dbraw/zinc/45/57/40/572455740.db2.gz KSVRGVXRLXKFAS-SSDOTTSWSA-N -1 3 196.206 1.427 10 0 ADAEHM Cc1cnc(-c2cn(N)c(=S)[n-]2)o1 74242234 572456408 /nfs/dbraw/zinc/45/64/08/572456408.db2.gz MRSUTDGOWHCWNL-UHFFFAOYSA-N -1 3 196.235 1.223 10 0 ADAEHM Cc1cc2c(o1)CC[C@H]2N([O-])C(N)=O 74242609 572457709 /nfs/dbraw/zinc/45/77/09/572457709.db2.gz KKTSZYMBZSMODV-SSDOTTSWSA-N -1 3 196.206 1.345 10 0 ADAEHM Cc1cc2c(o1)CC[C@@H]2N([O-])C(N)=O 74242607 572457915 /nfs/dbraw/zinc/45/79/15/572457915.db2.gz KKTSZYMBZSMODV-ZETCQYMHSA-N -1 3 196.206 1.345 10 0 ADAEHM CN1CCc2sccc2[C@H]1C(=O)[O-] 44592198 572457979 /nfs/dbraw/zinc/45/79/79/572457979.db2.gz FLPVKKWAVNZHPA-QMMMGPOBSA-N -1 3 197.259 1.362 10 0 ADAEHM NCc1csc([N-]c2ncco2)n1 74242180 572458118 /nfs/dbraw/zinc/45/81/18/572458118.db2.gz VHPXTHUMNIFQEI-UHFFFAOYSA-N -1 3 196.235 1.333 10 0 ADAEHM CCOC(=O)c1cc(CC)c([O-])cn1 238255575 572458699 /nfs/dbraw/zinc/45/86/99/572458699.db2.gz KPGCBTOIWLCNEJ-UHFFFAOYSA-N -1 3 195.218 1.526 10 0 ADAEHM Cc1cc2c(s1)CCN[C@H]2C(=O)[O-] 74239670 572465228 /nfs/dbraw/zinc/46/52/28/572465228.db2.gz YBNVIYYPNHIKMY-MRVPVSSYSA-N -1 3 197.259 1.328 10 0 ADAEHM Nc1nc(Cl)c2cccc([O-])c2n1 214830133 572466153 /nfs/dbraw/zinc/46/61/53/572466153.db2.gz UGJKRPUYTFRUPX-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 ADAEHM Cc1cc2c(s1)CCN[C@@H]2C(=O)[O-] 74239668 572466623 /nfs/dbraw/zinc/46/66/23/572466623.db2.gz YBNVIYYPNHIKMY-QMMMGPOBSA-N -1 3 197.259 1.328 10 0 ADAEHM Cc1cc([C@@H](C)N([O-])C(N)=O)[nH]c1C 74240076 572467447 /nfs/dbraw/zinc/46/74/47/572467447.db2.gz VDJUTMUKIXTJSC-SSDOTTSWSA-N -1 3 197.238 1.462 10 0 ADAEHM Cc1ccn(C)c1[C@H](C)N([O-])C(N)=O 74240074 572467473 /nfs/dbraw/zinc/46/74/73/572467473.db2.gz AYLAPCNURIJYHJ-ZETCQYMHSA-N -1 3 197.238 1.164 10 0 ADAEHM Cc1cc([C@H](C)N([O-])C(N)=O)[nH]c1C 74240078 572467570 /nfs/dbraw/zinc/46/75/70/572467570.db2.gz VDJUTMUKIXTJSC-ZETCQYMHSA-N -1 3 197.238 1.462 10 0 ADAEHM Cc1ccn(C)c1[C@@H](C)N([O-])C(N)=O 74240073 572468937 /nfs/dbraw/zinc/46/89/37/572468937.db2.gz AYLAPCNURIJYHJ-SSDOTTSWSA-N -1 3 197.238 1.164 10 0 ADAEHM Cc1ccc([C@@H](C)N([O-])C(N)=O)n1C 74240079 572468972 /nfs/dbraw/zinc/46/89/72/572468972.db2.gz SLUVTDXEFPPROF-SSDOTTSWSA-N -1 3 197.238 1.164 10 0 ADAEHM Cc1ccc([C@H](C)N([O-])C(N)=O)n1C 74240081 572470135 /nfs/dbraw/zinc/47/01/35/572470135.db2.gz SLUVTDXEFPPROF-ZETCQYMHSA-N -1 3 197.238 1.164 10 0 ADAEHM Cc1cc2c(o1)C[C@H](C)N[C@@H]2C(=O)[O-] 74245044 572472552 /nfs/dbraw/zinc/47/25/52/572472552.db2.gz TYRJJUOEJXOBQM-CDUCUWFYSA-N -1 3 195.218 1.248 10 0 ADAEHM CCNC[P@](=O)([O-])c1ccccc1 238258736 572475102 /nfs/dbraw/zinc/47/51/02/572475102.db2.gz PLIDZHQFAHQWKI-UHFFFAOYSA-N -1 3 199.190 1.149 10 0 ADAEHM CCCOc1cc([O-])ccc1C(N)=O 238257854 572471149 /nfs/dbraw/zinc/47/11/49/572471149.db2.gz BYWKEJONKXEXSV-UHFFFAOYSA-N -1 3 195.218 1.280 10 0 ADAEHM Cc1occ2c1C[C@@H](C)N[C@H]2C(=O)[O-] 74245051 572471889 /nfs/dbraw/zinc/47/18/89/572471889.db2.gz RJSOINYNGZOXQX-MLUIRONXSA-N -1 3 195.218 1.248 10 0 ADAEHM Cc1cc2c(o1)C[C@@H](C)N[C@@H]2C(=O)[O-] 74245046 572471934 /nfs/dbraw/zinc/47/19/34/572471934.db2.gz TYRJJUOEJXOBQM-ANLVUFKYSA-N -1 3 195.218 1.248 10 0 ADAEHM O=C([O-])[C@H]1CNCc2c(F)cccc21 74245343 572472228 /nfs/dbraw/zinc/47/22/28/572472228.db2.gz MRADEMKRNSYCJM-QMMMGPOBSA-N -1 3 195.193 1.097 10 0 ADAEHM CCN[C@@H](c1ccccc1)[P@@H](=O)[O-] 308037976 572472427 /nfs/dbraw/zinc/47/24/27/572472427.db2.gz WYXJYNDHELLFKG-SECBINFHSA-N -1 3 199.190 1.762 10 0 ADAEHM CCN[C@@H](c1ccccc1)[P@H](=O)[O-] 308037976 572472429 /nfs/dbraw/zinc/47/24/29/572472429.db2.gz WYXJYNDHELLFKG-SECBINFHSA-N -1 3 199.190 1.762 10 0 ADAEHM C[C@H](C(=O)[O-])[C@@H]1NCCc2occc21 74245208 572472602 /nfs/dbraw/zinc/47/26/02/572472602.db2.gz MBBFNZSVOBHWGO-RCOVLWMOSA-N -1 3 195.218 1.187 10 0 ADAEHM Cc1occ2c1C[C@@H](C)N[C@@H]2C(=O)[O-] 74245052 572472588 /nfs/dbraw/zinc/47/25/88/572472588.db2.gz RJSOINYNGZOXQX-ANLVUFKYSA-N -1 3 195.218 1.248 10 0 ADAEHM CCN[C@H](c1ccccc1)[P@@H](=O)[O-] 308037978 572472850 /nfs/dbraw/zinc/47/28/50/572472850.db2.gz WYXJYNDHELLFKG-VIFPVBQESA-N -1 3 199.190 1.762 10 0 ADAEHM C[C@H]1C(=O)c2c([O-])cccc21 197470111 572472689 /nfs/dbraw/zinc/47/26/89/572472689.db2.gz QGQOQGXGMCMUTK-RXMQYKEDSA-N -1 3 148.161 1.692 10 0 ADAEHM CCOC(=O)c1cc(OC)c(C=O)[n-]1 238260031 572472936 /nfs/dbraw/zinc/47/29/36/572472936.db2.gz ZHCCFKQMDOHGTE-UHFFFAOYSA-N -1 3 197.190 1.013 10 0 ADAEHM CCN[C@H](c1ccccc1)[P@H](=O)[O-] 308037978 572472856 /nfs/dbraw/zinc/47/28/56/572472856.db2.gz WYXJYNDHELLFKG-VIFPVBQESA-N -1 3 199.190 1.762 10 0 ADAEHM Cc1occ2c1C[C@H](C)N[C@@H]2C(=O)[O-] 74245055 572473484 /nfs/dbraw/zinc/47/34/84/572473484.db2.gz RJSOINYNGZOXQX-CDUCUWFYSA-N -1 3 195.218 1.248 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@H]1NCCc2occc21 74245206 572473503 /nfs/dbraw/zinc/47/35/03/572473503.db2.gz MBBFNZSVOBHWGO-HZGVNTEJSA-N -1 3 195.218 1.187 10 0 ADAEHM COCC(=O)c1cccc([O-])c1 34156696 572474245 /nfs/dbraw/zinc/47/42/45/572474245.db2.gz KXEBRDCHMQFDSP-UHFFFAOYSA-N -1 3 166.176 1.221 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@@H]1NCCc2occc21 74245209 572474455 /nfs/dbraw/zinc/47/44/55/572474455.db2.gz MBBFNZSVOBHWGO-MUWHJKNJSA-N -1 3 195.218 1.187 10 0 ADAEHM Cc1occ2c1C[C@H](C)N[C@H]2C(=O)[O-] 74245054 572474561 /nfs/dbraw/zinc/47/45/61/572474561.db2.gz RJSOINYNGZOXQX-SSDLBLMSSA-N -1 3 195.218 1.248 10 0 ADAEHM O=C([O-])[C@@H]1CNCc2c(F)cccc21 74245345 572474648 /nfs/dbraw/zinc/47/46/48/572474648.db2.gz MRADEMKRNSYCJM-MRVPVSSYSA-N -1 3 195.193 1.097 10 0 ADAEHM CCOC(=O)c1cc(N=O)ccc1[O-] 238259077 572474684 /nfs/dbraw/zinc/47/46/84/572474684.db2.gz IBTXMWLTMLIRKR-UHFFFAOYSA-N -1 3 195.174 1.967 10 0 ADAEHM Cc1onc(-c2o[n-]c(=O)c2N)c1C 74245437 572475231 /nfs/dbraw/zinc/47/52/31/572475231.db2.gz OQYXPQBJEKHTMA-UHFFFAOYSA-N -1 3 195.178 1.234 10 0 ADAEHM CCOc1cc(=O)[n-]c(C(C)(C)C)n1 34264302 572475270 /nfs/dbraw/zinc/47/52/70/572475270.db2.gz NPBNBGNSAVIGFV-UHFFFAOYSA-N -1 3 196.250 1.466 10 0 ADAEHM Cc1noc(C)c1-c1o[n-]c(=O)c1N 74245445 572475901 /nfs/dbraw/zinc/47/59/01/572475901.db2.gz DFJOOKSBPDCPOR-UHFFFAOYSA-N -1 3 195.178 1.234 10 0 ADAEHM CCc1cc(-c2o[n-]c(=O)c2N)no1 74245438 572476715 /nfs/dbraw/zinc/47/67/15/572476715.db2.gz UPNNBJGUDLGENC-UHFFFAOYSA-N -1 3 195.178 1.180 10 0 ADAEHM C/C=C/CC[N-]C(=O)C(F)(F)Cl 308039944 572477585 /nfs/dbraw/zinc/47/75/85/572477585.db2.gz MWSFIRLFIRFAAG-NSCUHMNNSA-N -1 3 197.612 1.900 10 0 ADAEHM C/C=C\CC[N-]C(=O)C(F)(F)Cl 308039943 572478008 /nfs/dbraw/zinc/47/80/08/572478008.db2.gz MWSFIRLFIRFAAG-IHWYPQMZSA-N -1 3 197.612 1.900 10 0 ADAEHM CC(=O)[N-]OCc1ccc(C)cc1O 141456513 572478442 /nfs/dbraw/zinc/47/84/42/572478442.db2.gz FBRXGQDRYVTUQS-UHFFFAOYSA-N -1 3 195.218 1.268 10 0 ADAEHM Cc1nc(C)c(-c2o[n-]c(=O)c2N)o1 74245442 572478555 /nfs/dbraw/zinc/47/85/55/572478555.db2.gz BYLPGGRBVQNQNF-UHFFFAOYSA-N -1 3 195.178 1.234 10 0 ADAEHM Cc1nsnc1-c1ncc(C=O)[n-]1 74246871 572479944 /nfs/dbraw/zinc/47/99/44/572479944.db2.gz ZPLSGJRKQPFSQY-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1nsnc1-c1nc(C=O)c[n-]1 74246871 572479947 /nfs/dbraw/zinc/47/99/47/572479947.db2.gz ZPLSGJRKQPFSQY-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cc([O-])c2nc[nH]c2c1 141415814 572480175 /nfs/dbraw/zinc/48/01/75/572480175.db2.gz BIIPIKZTNCSIIM-UHFFFAOYSA-N -1 3 148.165 1.577 10 0 ADAEHM CCCCn1[n-]c(=O)c2cccnc21 141458580 572480504 /nfs/dbraw/zinc/48/05/04/572480504.db2.gz RMSYBZVFIRZKTJ-UHFFFAOYSA-N -1 3 191.234 1.525 10 0 ADAEHM CC[C@@H](c1ccccc1)N([O-])C(N)=O 74246718 572483204 /nfs/dbraw/zinc/48/32/04/572483204.db2.gz FUWZLSDJONNDLX-VIFPVBQESA-N -1 3 194.234 1.908 10 0 ADAEHM Cc1nsc(-c2ncc(C=O)[n-]2)n1 74246873 572483103 /nfs/dbraw/zinc/48/31/03/572483103.db2.gz DBQIENOVBUOIDS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1nsc(-c2nc(C=O)c[n-]2)n1 74246873 572483106 /nfs/dbraw/zinc/48/31/06/572483106.db2.gz DBQIENOVBUOIDS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM NSC(=S)[N-]Nc1ccccc1 33939232 572483600 /nfs/dbraw/zinc/48/36/00/572483600.db2.gz FTERJWUXQLXNIL-UHFFFAOYSA-N -1 3 199.304 1.495 10 0 ADAEHM Cc1cc(Cl)cc2c1C(=O)C(=O)[N-]2 141370051 572484000 /nfs/dbraw/zinc/48/40/00/572484000.db2.gz AWMGEBJAIADKNE-UHFFFAOYSA-N -1 3 195.605 1.783 10 0 ADAEHM CC[N-]C(=S)OCCC(C)C 238263823 572484607 /nfs/dbraw/zinc/48/46/07/572484607.db2.gz FGJWTNNBWSFVAX-UHFFFAOYSA-N -1 3 175.297 1.944 10 0 ADAEHM CCNCc1ccc(C(=O)[O-])cc1F 238263452 572484661 /nfs/dbraw/zinc/48/46/61/572484661.db2.gz OEKHAGHYWITQLI-UHFFFAOYSA-N -1 3 197.209 1.633 10 0 ADAEHM CON[C@@H](C)c1ccc([O-])cc1F 234745817 572484731 /nfs/dbraw/zinc/48/47/31/572484731.db2.gz AETTYISMXWYNSN-LURJTMIESA-N -1 3 185.198 1.743 10 0 ADAEHM Nc1cc2sc(C=O)nc2cc1[O-] 74246883 572487123 /nfs/dbraw/zinc/48/71/23/572487123.db2.gz FCAJXDOWODOQAY-UHFFFAOYSA-N -1 3 194.215 1.397 10 0 ADAEHM Cc1nc(-c2ncsn2)[n-]c1C=O 74246877 572487483 /nfs/dbraw/zinc/48/74/83/572487483.db2.gz AOQNZHUEBOINJO-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1[n-]c(-c2ncsn2)nc1C=O 74246877 572487485 /nfs/dbraw/zinc/48/74/85/572487485.db2.gz AOQNZHUEBOINJO-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM COc1ccc([O-])c(C(C)=O)c1F 141491344 572488296 /nfs/dbraw/zinc/48/82/96/572488296.db2.gz OJGITPSJCPTLIT-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM CO[N-]C(=O)CCc1cccc(F)c1 62266045 572490078 /nfs/dbraw/zinc/49/00/78/572490078.db2.gz NBRZDOFQVUKLRG-UHFFFAOYSA-N -1 3 197.209 1.436 10 0 ADAEHM CON[C@H](C)c1ccc([O-])cc1F 234748993 572492623 /nfs/dbraw/zinc/49/26/23/572492623.db2.gz AETTYISMXWYNSN-ZCFIWIBFSA-N -1 3 185.198 1.743 10 0 ADAEHM CO[N-]C(=O)/C(C)=C/c1cccs1 62319839 572494673 /nfs/dbraw/zinc/49/46/73/572494673.db2.gz NMMOBHCRTMFZQO-VOTSOKGWSA-N -1 3 197.259 1.829 10 0 ADAEHM CCCc1c(OCC)nc(=O)[n-]c1C 238268779 572493585 /nfs/dbraw/zinc/49/35/85/572493585.db2.gz OHTUNNDNQSCDEH-UHFFFAOYSA-N -1 3 196.250 1.430 10 0 ADAEHM CO[N-]C(=O)/C(C)=C/c1ccccc1 62319843 572493768 /nfs/dbraw/zinc/49/37/68/572493768.db2.gz WTSATJGNHTYQIO-CMDGGOBGSA-N -1 3 191.230 1.768 10 0 ADAEHM CCCCc1nc(OC)cc(=O)[n-]1 238267917 572494704 /nfs/dbraw/zinc/49/47/04/572494704.db2.gz FGHRTDYORNWRGR-UHFFFAOYSA-N -1 3 182.223 1.121 10 0 ADAEHM CCOC([O-])=NC(=O)N(CC)CC 238271061 572496974 /nfs/dbraw/zinc/49/69/74/572496974.db2.gz DGSNWKQFQNFHCO-UHFFFAOYSA-N -1 3 188.227 1.194 10 0 ADAEHM CCOC(=O)N=C([O-])N(CC)CC 238271061 572496978 /nfs/dbraw/zinc/49/69/78/572496978.db2.gz DGSNWKQFQNFHCO-UHFFFAOYSA-N -1 3 188.227 1.194 10 0 ADAEHM CCOC(=O)[N-]C(=O)N(CC)CC 238271061 572496982 /nfs/dbraw/zinc/49/69/82/572496982.db2.gz DGSNWKQFQNFHCO-UHFFFAOYSA-N -1 3 188.227 1.194 10 0 ADAEHM Nc1c(-c2ccccc2F)o[n-]c1=O 74247238 572497774 /nfs/dbraw/zinc/49/77/74/572497774.db2.gz PNCSDNOCPXFOJT-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM Cc1c(C=O)ccc([O-])c1CN(C)C 74248292 572507118 /nfs/dbraw/zinc/50/71/18/572507118.db2.gz ZSOKMKANCFWNKA-UHFFFAOYSA-N -1 3 193.246 1.575 10 0 ADAEHM Cc1csc(-c2ncc(C=O)[n-]2)n1 74248311 572508529 /nfs/dbraw/zinc/50/85/29/572508529.db2.gz RFGJBIRRTFKCED-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM Cc1csc(-c2nc(C=O)c[n-]2)n1 74248311 572508534 /nfs/dbraw/zinc/50/85/34/572508534.db2.gz RFGJBIRRTFKCED-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM COCc1cccc([O-])c1COC 117261407 572511932 /nfs/dbraw/zinc/51/19/32/572511932.db2.gz XWRVPAWRRBUHHO-UHFFFAOYSA-N -1 3 182.219 1.685 10 0 ADAEHM CCOC(=N)c1ccc(C=O)c([O-])c1 238279634 572512299 /nfs/dbraw/zinc/51/22/99/572512299.db2.gz AFDGQDWQVKZFLA-UHFFFAOYSA-N -1 3 193.202 1.567 10 0 ADAEHM CCO[C@H](C)Cc1nc(C)cc(=O)[n-]1 238280873 572518222 /nfs/dbraw/zinc/51/82/22/572518222.db2.gz ACGUBLRWCSRXBC-MRVPVSSYSA-N -1 3 196.250 1.046 10 0 ADAEHM O=Cc1nonc1-c1ccc([O-])cc1 74275328 572520741 /nfs/dbraw/zinc/52/07/41/572520741.db2.gz AIXLYEMEUYOBKW-UHFFFAOYSA-N -1 3 190.158 1.255 10 0 ADAEHM O=Cc1nonc1-c1ccccc1[O-] 74275326 572523743 /nfs/dbraw/zinc/52/37/43/572523743.db2.gz UBFLRPHMUPLBKS-UHFFFAOYSA-N -1 3 190.158 1.255 10 0 ADAEHM CN1C[C@H](C(=O)[O-])C[C@H]1c1ccco1 250659528 572524321 /nfs/dbraw/zinc/52/43/21/572524321.db2.gz YMHPSHUPUQLILC-SFYZADRCSA-N -1 3 195.218 1.357 10 0 ADAEHM CN1C[C@@H](C(=O)[O-])C[C@H]1c1ccco1 250659530 572524849 /nfs/dbraw/zinc/52/48/49/572524849.db2.gz YMHPSHUPUQLILC-YUMQZZPRSA-N -1 3 195.218 1.357 10 0 ADAEHM CCNCc1cc(C(=O)[O-])oc1C 232422938 572526738 /nfs/dbraw/zinc/52/67/38/572526738.db2.gz WGPUDVYGLJZOPV-UHFFFAOYSA-N -1 3 183.207 1.396 10 0 ADAEHM CCNCc1cc(C)c(C(=O)[O-])o1 232422936 572526814 /nfs/dbraw/zinc/52/68/14/572526814.db2.gz YZSMTZJGTGFNCI-UHFFFAOYSA-N -1 3 183.207 1.396 10 0 ADAEHM Cc1cc(=O)c2c(O)cc([O-])cc2[nH]1 45285312 572526994 /nfs/dbraw/zinc/52/69/94/572526994.db2.gz XJLYDZIBIOGSSR-UHFFFAOYSA-N -1 3 191.186 1.248 10 0 ADAEHM COC(=O)c1cnc(-c2ccoc2)[n-]1 63046994 572527157 /nfs/dbraw/zinc/52/71/57/572527157.db2.gz OCEGFDTZDINKML-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM COC(=O)c1c[n-]c(-c2ccoc2)n1 63046994 572527160 /nfs/dbraw/zinc/52/71/60/572527160.db2.gz OCEGFDTZDINKML-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM Cc1ccc2c(c1)[C@H](C(=O)[O-])CNC2 74272938 572529776 /nfs/dbraw/zinc/52/97/76/572529776.db2.gz NETQNEBZJCCQKU-SNVBAGLBSA-N -1 3 191.230 1.266 10 0 ADAEHM Cc1ccc2c(c1)[C@@H](C(=O)[O-])CNC2 74272940 572529863 /nfs/dbraw/zinc/52/98/63/572529863.db2.gz NETQNEBZJCCQKU-JTQLQIEISA-N -1 3 191.230 1.266 10 0 ADAEHM Cc1ccc2c(c1)CNC[C@@H]2C(=O)[O-] 74272933 572529977 /nfs/dbraw/zinc/52/99/77/572529977.db2.gz PNDCKRLXJBHEBI-JTQLQIEISA-N -1 3 191.230 1.266 10 0 ADAEHM Cc1cc(-c2nc(C)c(C=O)[n-]2)on1 74273504 572530794 /nfs/dbraw/zinc/53/07/94/572530794.db2.gz ICKOFCRFHNNCIZ-UHFFFAOYSA-N -1 3 191.190 1.494 10 0 ADAEHM Cc1nc(C)c(-c2ncc(C=O)[n-]2)o1 74273390 572531254 /nfs/dbraw/zinc/53/12/54/572531254.db2.gz NYCCRPDSYLANDR-UHFFFAOYSA-N -1 3 191.190 1.494 10 0 ADAEHM Cc1ccnc(-c2o[n-]c(=O)c2N)c1 74273460 572531248 /nfs/dbraw/zinc/53/12/48/572531248.db2.gz NCPCDWQQCYBUAR-UHFFFAOYSA-N -1 3 191.190 1.333 10 0 ADAEHM Cc1nc(C)c(-c2nc(C=O)c[n-]2)o1 74273390 572531257 /nfs/dbraw/zinc/53/12/57/572531257.db2.gz NYCCRPDSYLANDR-UHFFFAOYSA-N -1 3 191.190 1.494 10 0 ADAEHM Cc1ccc2c(c1)CNC[C@H]2C(=O)[O-] 74272935 572531303 /nfs/dbraw/zinc/53/13/03/572531303.db2.gz PNDCKRLXJBHEBI-SNVBAGLBSA-N -1 3 191.230 1.266 10 0 ADAEHM CCOC[C@H](C)c1nc(C)cc(=O)[n-]1 238290944 572532189 /nfs/dbraw/zinc/53/21/89/572532189.db2.gz YVHLAFQRMDRYDI-ZETCQYMHSA-N -1 3 196.250 1.218 10 0 ADAEHM CCc1c(CCC(=O)[O-])c[nH]c1CN 238293302 572533579 /nfs/dbraw/zinc/53/35/79/572533579.db2.gz SUVJKXFWGFAVSK-UHFFFAOYSA-N -1 3 196.250 1.053 10 0 ADAEHM N#CCc1nc2cc([O-])c(N)cc2o1 74276586 572533610 /nfs/dbraw/zinc/53/36/10/572533610.db2.gz YMBRIZBKTBETJB-UHFFFAOYSA-N -1 3 189.174 1.182 10 0 ADAEHM Cn1nc2cccc([O-])c2c1Cl 250802158 572535434 /nfs/dbraw/zinc/53/54/34/572535434.db2.gz HGSGPVHGPDNFJD-UHFFFAOYSA-N -1 3 182.610 1.932 10 0 ADAEHM Cc1onc(-c2ccccc2[O-])c1N 74274979 572536141 /nfs/dbraw/zinc/53/61/41/572536141.db2.gz NCAWCZRKDUJHMB-UHFFFAOYSA-N -1 3 190.202 1.938 10 0 ADAEHM CC[C@H](C)NCc1occc1C(=O)[O-] 232425084 572538936 /nfs/dbraw/zinc/53/89/36/572538936.db2.gz LTOVYDQUSJECGA-ZETCQYMHSA-N -1 3 197.234 1.866 10 0 ADAEHM CCCc1nc(CC(C)C)cc(=O)[n-]1 87522482 572547647 /nfs/dbraw/zinc/54/76/47/572547647.db2.gz WLRZDGWVLKXQGW-UHFFFAOYSA-N -1 3 194.278 1.921 10 0 ADAEHM O=C1[N-]c2c(ccc3ccncc23)C1=O 87521307 572548052 /nfs/dbraw/zinc/54/80/52/572548052.db2.gz CTMOUBDAANDHJN-UHFFFAOYSA-N -1 3 198.181 1.370 10 0 ADAEHM CCO[C@@H](C)Cc1nc(C)cc(=O)[n-]1 238305848 572548489 /nfs/dbraw/zinc/54/84/89/572548489.db2.gz ACGUBLRWCSRXBC-QMMMGPOBSA-N -1 3 196.250 1.046 10 0 ADAEHM O=C1CCc2c([O-])ccc(F)c2C1 714021803 572551129 /nfs/dbraw/zinc/55/11/29/572551129.db2.gz XLSZPVVTCAVMMQ-UHFFFAOYSA-N -1 3 180.178 1.589 10 0 ADAEHM CN[C@H](C(=O)[O-])[C@@H](F)c1ccccc1 238314714 572552751 /nfs/dbraw/zinc/55/27/51/572552751.db2.gz MWQJJRCNISMOAU-IUCAKERBSA-N -1 3 197.209 1.370 10 0 ADAEHM CCOC1=C([O-])[C@H]([C@@H](C)CC)NC1=O 238317108 572554398 /nfs/dbraw/zinc/55/43/98/572554398.db2.gz YOCPDTDSKGVIDI-BQBZGAKWSA-N -1 3 199.250 1.337 10 0 ADAEHM CN[C@H](C(=O)[O-])[C@H](F)c1ccccc1 238316762 572554884 /nfs/dbraw/zinc/55/48/84/572554884.db2.gz MWQJJRCNISMOAU-BDAKNGLRSA-N -1 3 197.209 1.370 10 0 ADAEHM CCOC1=C([O-])[C@@H]([C@@H](C)CC)NC1=O 238317080 572555011 /nfs/dbraw/zinc/55/50/11/572555011.db2.gz YOCPDTDSKGVIDI-NKWVEPMBSA-N -1 3 199.250 1.337 10 0 ADAEHM CCOC1=C([O-])[C@H]([C@H](C)CC)NC1=O 238317124 572555845 /nfs/dbraw/zinc/55/58/45/572555845.db2.gz YOCPDTDSKGVIDI-RQJHMYQMSA-N -1 3 199.250 1.337 10 0 ADAEHM CCOC1=C([O-])[C@@H]([C@H](C)CC)NC1=O 238317096 572556091 /nfs/dbraw/zinc/55/60/91/572556091.db2.gz YOCPDTDSKGVIDI-RNFRBKRXSA-N -1 3 199.250 1.337 10 0 ADAEHM CN[C@@H](C(=O)[O-])[C@H](F)c1ccccc1 238319938 572558300 /nfs/dbraw/zinc/55/83/00/572558300.db2.gz MWQJJRCNISMOAU-RKDXNWHRSA-N -1 3 197.209 1.370 10 0 ADAEHM COC(=O)CC(=N)c1ccccc1[O-] 238318333 572558563 /nfs/dbraw/zinc/55/85/63/572558563.db2.gz QPIUOWDPPJKGDT-UHFFFAOYSA-N -1 3 193.202 1.323 10 0 ADAEHM CN[C@@H](C(=O)[O-])[C@@H](F)c1ccccc1 238318177 572558832 /nfs/dbraw/zinc/55/88/32/572558832.db2.gz MWQJJRCNISMOAU-DTWKUNHWSA-N -1 3 197.209 1.370 10 0 ADAEHM N[C@@H](CCC(=O)[O-])C(F)=C(F)F 26646251 572562405 /nfs/dbraw/zinc/56/24/05/572562405.db2.gz GTQBDPMDXNFOPX-VKHMYHEASA-N -1 3 183.129 1.256 10 0 ADAEHM COCCC(=O)c1cccc([O-])c1 238330071 572563519 /nfs/dbraw/zinc/56/35/19/572563519.db2.gz GBAURIBTYOPJHQ-UHFFFAOYSA-N -1 3 180.203 1.611 10 0 ADAEHM O=Cc1[n-]cc(F)c2ccnc1-2 45802894 572567454 /nfs/dbraw/zinc/56/74/54/572567454.db2.gz NFKNNDZXBJAHGB-UHFFFAOYSA-N -1 3 164.139 1.466 10 0 ADAEHM O=Cc1[nH]c(-c2ccc[nH]2)cc1[O-] 45814702 572567919 /nfs/dbraw/zinc/56/79/19/572567919.db2.gz XIVRMAVPWKOXMR-UHFFFAOYSA-N -1 3 176.175 1.528 10 0 in-vitro ADAEHM Cn1ccnc1NCCCCC(=O)[O-] 69732002 572567925 /nfs/dbraw/zinc/56/79/25/572567925.db2.gz GJFWVMCLCITIRZ-UHFFFAOYSA-N -1 3 197.238 1.087 10 0 ADAEHM O=Nc1c[n-]cc1N=O 45803007 572568382 /nfs/dbraw/zinc/56/83/82/572568382.db2.gz NWGQMSZMVMZWMM-UHFFFAOYSA-N -1 3 125.087 1.811 10 0 ADAEHM CCOC([O-])=NC(=O)C(C)(C)C 45823850 572569913 /nfs/dbraw/zinc/56/99/13/572569913.db2.gz AGNXHYCFWUFQIG-UHFFFAOYSA-N -1 3 173.212 1.305 10 0 ADAEHM CCOC(=O)[N-]C(=O)C(C)(C)C 45823850 572569916 /nfs/dbraw/zinc/56/99/16/572569916.db2.gz AGNXHYCFWUFQIG-UHFFFAOYSA-N -1 3 173.212 1.305 10 0 ADAEHM CC(C)Oc1cc(=O)[n-]c(C(C)C)n1 45817396 572570288 /nfs/dbraw/zinc/57/02/88/572570288.db2.gz XCRNQDGRCLAOFY-UHFFFAOYSA-N -1 3 196.250 1.681 10 0 ADAEHM COC(OC)C(=O)c1ccccc1[O-] 238343856 572577964 /nfs/dbraw/zinc/57/79/64/572577964.db2.gz QFRHNFKXFLAXNL-UHFFFAOYSA-N -1 3 196.202 1.194 10 0 ADAEHM CCCc1cc(=O)[n-]c(CC2CC2)n1 87580495 572576709 /nfs/dbraw/zinc/57/67/09/572576709.db2.gz LUHWCRIYESJZQV-UHFFFAOYSA-N -1 3 192.262 1.675 10 0 ADAEHM CCCONC(=O)c1ccc([O-])cc1 114727470 572585874 /nfs/dbraw/zinc/58/58/74/572585874.db2.gz OBUYKKHXJBSJNL-UHFFFAOYSA-N -1 3 195.218 1.464 10 0 ADAEHM Nn1cc(C(F)(F)F)[n-]c1=S 74299986 572583704 /nfs/dbraw/zinc/58/37/04/572583704.db2.gz BVKMKQKNXXSFLJ-UHFFFAOYSA-N -1 3 183.158 1.278 10 0 ADAEHM Nc1c(-c2cscn2)o[n-]c1=O 74299835 572584839 /nfs/dbraw/zinc/58/48/39/572584839.db2.gz WKFTVWNKQDGKTC-UHFFFAOYSA-N -1 3 183.192 1.086 10 0 ADAEHM Nc1c(-c2cncs2)o[n-]c1=O 74299833 572584921 /nfs/dbraw/zinc/58/49/21/572584921.db2.gz APUUFGUATKTHDQ-UHFFFAOYSA-N -1 3 183.192 1.086 10 0 ADAEHM Cc1cc[nH]c1[C@H](C)N([O-])C(N)=O 74299645 572585826 /nfs/dbraw/zinc/58/58/26/572585826.db2.gz FONXMABWZQIMHF-LURJTMIESA-N -1 3 183.211 1.154 10 0 ADAEHM Cc1cc[nH]c1[C@@H](C)N([O-])C(N)=O 74299643 572586293 /nfs/dbraw/zinc/58/62/93/572586293.db2.gz FONXMABWZQIMHF-ZCFIWIBFSA-N -1 3 183.211 1.154 10 0 ADAEHM CC(=O)Oc1cccc2c([O-])coc12 714092907 572586781 /nfs/dbraw/zinc/58/67/81/572586781.db2.gz HCWYBXYXAOZMDD-UHFFFAOYSA-N -1 3 192.170 1.187 10 0 ADAEHM CCNc1cc(F)c2occ([O-])c2c1 714092972 572586767 /nfs/dbraw/zinc/58/67/67/572586767.db2.gz HYOGFZMXEITSSI-UHFFFAOYSA-N -1 3 195.193 1.833 10 0 ADAEHM Cc1cc2occ([O-])c2c(C)c1O 714092483 572587861 /nfs/dbraw/zinc/58/78/61/572587861.db2.gz ABASAIIXAMFKED-UHFFFAOYSA-N -1 3 178.187 1.584 10 0 ADAEHM CC[C@H](C)CC(=O)c1cnn[n-]1 87598448 572591176 /nfs/dbraw/zinc/59/11/76/572591176.db2.gz ODXABDGKQICJBB-LURJTMIESA-N -1 3 167.212 1.424 10 0 ADAEHM CC[C@H](C)CC(=O)c1c[n-]nn1 87598448 572591181 /nfs/dbraw/zinc/59/11/81/572591181.db2.gz ODXABDGKQICJBB-LURJTMIESA-N -1 3 167.212 1.424 10 0 ADAEHM CC[C@H](C)CC(=O)c1cn[n-]n1 87598448 572591185 /nfs/dbraw/zinc/59/11/85/572591185.db2.gz ODXABDGKQICJBB-LURJTMIESA-N -1 3 167.212 1.424 10 0 ADAEHM CCCCCCC(=O)c1cnn[n-]1 87598604 572591413 /nfs/dbraw/zinc/59/14/13/572591413.db2.gz JKTXTXLADIUTHS-UHFFFAOYSA-N -1 3 181.239 1.958 10 0 ADAEHM CCCCCCC(=O)c1c[n-]nn1 87598604 572591440 /nfs/dbraw/zinc/59/14/40/572591440.db2.gz JKTXTXLADIUTHS-UHFFFAOYSA-N -1 3 181.239 1.958 10 0 ADAEHM CCCCCCC(=O)c1cn[n-]n1 87598604 572591446 /nfs/dbraw/zinc/59/14/46/572591446.db2.gz JKTXTXLADIUTHS-UHFFFAOYSA-N -1 3 181.239 1.958 10 0 ADAEHM O=C(CCC1CC1)c1cnn[n-]1 87598534 572592270 /nfs/dbraw/zinc/59/22/70/572592270.db2.gz NYFIJGSYKXITMD-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(CCC1CC1)c1c[n-]nn1 87598534 572592272 /nfs/dbraw/zinc/59/22/72/572592272.db2.gz NYFIJGSYKXITMD-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(CCC1CC1)c1cn[n-]n1 87598534 572592276 /nfs/dbraw/zinc/59/22/76/572592276.db2.gz NYFIJGSYKXITMD-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM CCC(CC)C(=O)c1cnn[n-]1 87598822 572593674 /nfs/dbraw/zinc/59/36/74/572593674.db2.gz SZXXHCNNRQRDMO-UHFFFAOYSA-N -1 3 167.212 1.424 10 0 ADAEHM CCC(CC)C(=O)c1c[n-]nn1 87598822 572593679 /nfs/dbraw/zinc/59/36/79/572593679.db2.gz SZXXHCNNRQRDMO-UHFFFAOYSA-N -1 3 167.212 1.424 10 0 ADAEHM CCC(CC)C(=O)c1cn[n-]n1 87598822 572593682 /nfs/dbraw/zinc/59/36/82/572593682.db2.gz SZXXHCNNRQRDMO-UHFFFAOYSA-N -1 3 167.212 1.424 10 0 ADAEHM CCC[C@H](C)CC(=O)c1cnn[n-]1 87598681 572594254 /nfs/dbraw/zinc/59/42/54/572594254.db2.gz KRAJIDVHCZXOQM-ZETCQYMHSA-N -1 3 181.239 1.814 10 0 ADAEHM CCC[C@H](C)CC(=O)c1c[n-]nn1 87598681 572594257 /nfs/dbraw/zinc/59/42/57/572594257.db2.gz KRAJIDVHCZXOQM-ZETCQYMHSA-N -1 3 181.239 1.814 10 0 ADAEHM CCC[C@H](C)CC(=O)c1cn[n-]n1 87598681 572594261 /nfs/dbraw/zinc/59/42/61/572594261.db2.gz KRAJIDVHCZXOQM-ZETCQYMHSA-N -1 3 181.239 1.814 10 0 ADAEHM CC(C)(C)CCC(=O)c1cnn[n-]1 87598523 572594722 /nfs/dbraw/zinc/59/47/22/572594722.db2.gz WPZYHIYAKRDMPU-UHFFFAOYSA-N -1 3 181.239 1.814 10 0 ADAEHM CC(C)(C)CCC(=O)c1c[n-]nn1 87598523 572594725 /nfs/dbraw/zinc/59/47/25/572594725.db2.gz WPZYHIYAKRDMPU-UHFFFAOYSA-N -1 3 181.239 1.814 10 0 ADAEHM CC(C)(C)CCC(=O)c1cn[n-]n1 87598523 572594727 /nfs/dbraw/zinc/59/47/27/572594727.db2.gz WPZYHIYAKRDMPU-UHFFFAOYSA-N -1 3 181.239 1.814 10 0 ADAEHM O=C1CCc2ccc(F)c([O-])c2C1 714095823 572595476 /nfs/dbraw/zinc/59/54/76/572595476.db2.gz BLRGFEXFVFQWIE-UHFFFAOYSA-N -1 3 180.178 1.589 10 0 ADAEHM CC(C)CCC(=O)c1cnn[n-]1 87598499 572595603 /nfs/dbraw/zinc/59/56/03/572595603.db2.gz WEDQRXXQIRALTB-UHFFFAOYSA-N -1 3 167.212 1.424 10 0 ADAEHM CC(C)CCC(=O)c1c[n-]nn1 87598499 572595607 /nfs/dbraw/zinc/59/56/07/572595607.db2.gz WEDQRXXQIRALTB-UHFFFAOYSA-N -1 3 167.212 1.424 10 0 ADAEHM CC(C)CCC(=O)c1cn[n-]n1 87598499 572595612 /nfs/dbraw/zinc/59/56/12/572595612.db2.gz WEDQRXXQIRALTB-UHFFFAOYSA-N -1 3 167.212 1.424 10 0 ADAEHM Nc1cc(F)c(F)c2occ([O-])c12 714098640 572596326 /nfs/dbraw/zinc/59/63/26/572596326.db2.gz CDZQMLQOBYOQGB-UHFFFAOYSA-N -1 3 185.129 1.122 10 0 ADAEHM CC(=O)[N-]OCCSCC(C)C 308071440 572600390 /nfs/dbraw/zinc/60/03/90/572600390.db2.gz BQFZVADMQJJLMC-UHFFFAOYSA-N -1 3 191.296 1.443 10 0 ADAEHM CC[C@@H](C(=O)[O-])[C@@H](N)c1ccccn1 115121847 572601805 /nfs/dbraw/zinc/60/18/05/572601805.db2.gz HJPKUZSUYGIONT-VXNVDRBHSA-N -1 3 194.234 1.192 10 0 ADAEHM CCCC[C@H](C)NC(=O)c1c[n-]nn1 87602184 572598932 /nfs/dbraw/zinc/59/89/32/572598932.db2.gz NZTIEWWBWSTBAZ-ZETCQYMHSA-N -1 3 196.254 1.113 10 0 ADAEHM CCCC[C@H](C)NC(=O)c1cnn[n-]1 87602184 572598937 /nfs/dbraw/zinc/59/89/37/572598937.db2.gz NZTIEWWBWSTBAZ-ZETCQYMHSA-N -1 3 196.254 1.113 10 0 ADAEHM CCCC[C@H](C)NC(=O)c1cn[n-]n1 87602184 572598941 /nfs/dbraw/zinc/59/89/41/572598941.db2.gz NZTIEWWBWSTBAZ-ZETCQYMHSA-N -1 3 196.254 1.113 10 0 ADAEHM CCCC[C@@H](C)NC(=O)c1c[n-]nn1 87602183 572599672 /nfs/dbraw/zinc/59/96/72/572599672.db2.gz NZTIEWWBWSTBAZ-SSDOTTSWSA-N -1 3 196.254 1.113 10 0 ADAEHM CCCC[C@@H](C)NC(=O)c1cnn[n-]1 87602183 572599675 /nfs/dbraw/zinc/59/96/75/572599675.db2.gz NZTIEWWBWSTBAZ-SSDOTTSWSA-N -1 3 196.254 1.113 10 0 ADAEHM CCCC[C@@H](C)NC(=O)c1cn[n-]n1 87602183 572599680 /nfs/dbraw/zinc/59/96/80/572599680.db2.gz NZTIEWWBWSTBAZ-SSDOTTSWSA-N -1 3 196.254 1.113 10 0 ADAEHM CNC(=O)Nc1ccc(NC)cc1[O-] 140705129 572606647 /nfs/dbraw/zinc/60/66/47/572606647.db2.gz JMDCXSHYMPRWLK-UHFFFAOYSA-N -1 3 195.222 1.185 10 0 ADAEHM [O-]c1[nH]c2ncccc2c2ncnc1-2 47301001 572600616 /nfs/dbraw/zinc/60/06/16/572600616.db2.gz ZOQAJUIWFFFJKL-UHFFFAOYSA-N -1 3 186.174 1.212 10 0 ADAEHM O=c1[nH]c2ncccc2c2nc[n-]c12 47301001 572600621 /nfs/dbraw/zinc/60/06/21/572600621.db2.gz ZOQAJUIWFFFJKL-UHFFFAOYSA-N -1 3 186.174 1.212 10 0 ADAEHM O=c1[nH]c2ncccc2c2[n-]cnc12 47301001 572600627 /nfs/dbraw/zinc/60/06/27/572600627.db2.gz ZOQAJUIWFFFJKL-UHFFFAOYSA-N -1 3 186.174 1.212 10 0 ADAEHM CCOc1ccc(C)c2c([O-])coc12 714105422 572601598 /nfs/dbraw/zinc/60/15/98/572601598.db2.gz KUGQBQZQNMFXJO-UHFFFAOYSA-N -1 3 192.214 1.969 10 0 ADAEHM CCCCC[C@@H]([NH3+])CP(=O)([O-])[O-] 115140639 572604841 /nfs/dbraw/zinc/60/48/41/572604841.db2.gz AXNUTLSYKFISGR-SSDOTTSWSA-N -1 3 195.199 1.072 10 0 ADAEHM CC[C@@H](C(=O)[O-])[C@H](N)c1ccccn1 115121850 572605099 /nfs/dbraw/zinc/60/50/99/572605099.db2.gz HJPKUZSUYGIONT-APPZFPTMSA-N -1 3 194.234 1.192 10 0 ADAEHM CSC(=O)c1ccc([O-])cc1 140768802 572606427 /nfs/dbraw/zinc/60/64/27/572606427.db2.gz ITEQFAGBCFCKDM-UHFFFAOYSA-N -1 3 168.217 1.895 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)SCCC2 140818968 572606595 /nfs/dbraw/zinc/60/65/95/572606595.db2.gz UOEZKAMXXGVABS-UHFFFAOYSA-N -1 3 182.248 1.117 10 0 ADAEHM COc1cc(N=O)cc(OC)c1[O-] 140703510 572607558 /nfs/dbraw/zinc/60/75/58/572607558.db2.gz ZMCUYAUOJWRGBJ-UHFFFAOYSA-N -1 3 183.163 1.807 10 0 ADAEHM O=C1CCc2c1ccc([O-])c2CO 714107338 572608817 /nfs/dbraw/zinc/60/88/17/572608817.db2.gz SGNLNWAYGIPVEQ-UHFFFAOYSA-N -1 3 178.187 1.013 10 0 ADAEHM CN(C)C[C@@H](C(=O)[O-])c1ccsc1 115223810 572609468 /nfs/dbraw/zinc/60/94/68/572609468.db2.gz HHYVGUBYDYMGJL-MRVPVSSYSA-N -1 3 199.275 1.478 10 0 ADAEHM COC(=O)CCc1ccc(F)c([O-])c1 238357731 572612010 /nfs/dbraw/zinc/61/20/10/572612010.db2.gz YAJJZYBEJLLQMW-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CCc1c(OC)ccc2c([O-])coc12 714112108 572613003 /nfs/dbraw/zinc/61/30/03/572613003.db2.gz OOTGDLQKQZFXLA-UHFFFAOYSA-N -1 3 192.214 1.833 10 0 ADAEHM CCOc1ccc(N)c2c([O-])coc12 714110590 572613176 /nfs/dbraw/zinc/61/31/76/572613176.db2.gz XBDDPOIYZLODHB-UHFFFAOYSA-N -1 3 193.202 1.243 10 0 ADAEHM CCO[N-]C(=O)CC[C@@H](C)CC 308075042 572613198 /nfs/dbraw/zinc/61/31/98/572613198.db2.gz COXJQLKJNKZUNR-QMMMGPOBSA-N -1 3 173.256 1.880 10 0 ADAEHM C[C@H](N)c1nc2ccc([O-])cc2o1 74306533 572613644 /nfs/dbraw/zinc/61/36/44/572613644.db2.gz TYLSJLHYLOAPIM-YFKPBYRVSA-N -1 3 178.191 1.553 10 0 ADAEHM CN(C)c1cccc2occ([O-])c12 714112060 572613786 /nfs/dbraw/zinc/61/37/86/572613786.db2.gz LGZCQIQIJJCVFV-UHFFFAOYSA-N -1 3 177.203 1.328 10 0 ADAEHM COc1cc2occ([O-])c2cc1F 714112095 572614014 /nfs/dbraw/zinc/61/40/14/572614014.db2.gz NLECTJDKVUUKTC-UHFFFAOYSA-N -1 3 182.150 1.409 10 0 ADAEHM CC(C)n1nc2ccc([O-])cc2n1 251704952 572614549 /nfs/dbraw/zinc/61/45/49/572614549.db2.gz XSYVQMGLKHNBIO-UHFFFAOYSA-N -1 3 177.207 1.718 10 0 ADAEHM COc1c(F)ccc2c([O-])coc12 714112045 572615140 /nfs/dbraw/zinc/61/51/40/572615140.db2.gz JGDIVGINRZZGGV-UHFFFAOYSA-N -1 3 182.150 1.409 10 0 ADAEHM COC(=O)CCc1cccc(F)c1[O-] 238359297 572615327 /nfs/dbraw/zinc/61/53/27/572615327.db2.gz SLGLZRGJVWITCV-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CCc1ccc(N)c2c([O-])coc12 714110580 572615817 /nfs/dbraw/zinc/61/58/17/572615817.db2.gz WAMJAOPGKUGTOM-UHFFFAOYSA-N -1 3 177.203 1.406 10 0 ADAEHM CCO[N-]C(=O)CC[C@H](C)CC 308075040 572615856 /nfs/dbraw/zinc/61/58/56/572615856.db2.gz COXJQLKJNKZUNR-MRVPVSSYSA-N -1 3 173.256 1.880 10 0 ADAEHM COc1ccc2c([O-])coc2c1F 714112109 572615873 /nfs/dbraw/zinc/61/58/73/572615873.db2.gz OTFHLSGNTYTMNK-UHFFFAOYSA-N -1 3 182.150 1.409 10 0 ADAEHM COc1cc(C(C)=O)ccc1[O-] 238358086 572615893 /nfs/dbraw/zinc/61/58/93/572615893.db2.gz LVVNAZLLSMMYCU-UHFFFAOYSA-N -1 3 166.176 1.930 10 0 ADAEHM Nc1c(-c2cccs2)o[n-]c1=O 74301050 572616651 /nfs/dbraw/zinc/61/66/51/572616651.db2.gz MXEYSUYDMMXJHM-UHFFFAOYSA-N -1 3 182.204 1.691 10 0 ADAEHM COc1c(C)ccc2c([O-])coc12 714112134 572617055 /nfs/dbraw/zinc/61/70/55/572617055.db2.gz QUZXFCDZOZYMRL-UHFFFAOYSA-N -1 3 178.187 1.579 10 0 ADAEHM CCc1c(F)ccc2c([O-])coc12 714112286 572617354 /nfs/dbraw/zinc/61/73/54/572617354.db2.gz SUTNRPJWOPBMRQ-UHFFFAOYSA-N -1 3 180.178 1.963 10 0 ADAEHM CSc1ccc2c(O)coc2c1[O-] 714112337 572617741 /nfs/dbraw/zinc/61/77/41/572617741.db2.gz WBGWTECQFAFXOX-UHFFFAOYSA-N -1 3 196.227 1.689 10 0 ADAEHM CC(=N)c1ccc(F)cc1[O-] 140892185 572617864 /nfs/dbraw/zinc/61/78/64/572617864.db2.gz WNLVNBIPESRHIT-UHFFFAOYSA-N -1 3 153.156 1.919 10 0 ADAEHM COc1c(Cl)ccc2c([O-])coc12 714112394 572618800 /nfs/dbraw/zinc/61/88/00/572618800.db2.gz YWHVDOQLANCYHR-UHFFFAOYSA-N -1 3 198.605 1.924 10 0 ADAEHM COC(=O)CCc1cccc([O-])c1F 238359557 572619359 /nfs/dbraw/zinc/61/93/59/572619359.db2.gz PMKSLXFEOJGMPH-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CCOc1cc2c([O-])coc2cc1O 714113073 572620234 /nfs/dbraw/zinc/62/02/34/572620234.db2.gz ILTNTGFIZBDUOC-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM COc1c([O-])cc(N)c(C=O)c1C 196641858 572620425 /nfs/dbraw/zinc/62/04/25/572620425.db2.gz KCZAASPXRBEBBO-UHFFFAOYSA-N -1 3 181.191 1.104 10 0 ADAEHM [O-]c1coc2c3c(ccc12)CCCO3 714113060 572622050 /nfs/dbraw/zinc/62/20/50/572622050.db2.gz HVNGIOKHOMZAPK-UHFFFAOYSA-N -1 3 190.198 1.587 10 0 ADAEHM [O-]c1coc2ccc3c(c12)CCCO3 714113227 572621476 /nfs/dbraw/zinc/62/14/76/572621476.db2.gz YTBFMXGJKZRBCT-UHFFFAOYSA-N -1 3 190.198 1.587 10 0 ADAEHM [O-]c1coc2c3c(ccc12)OCCC3 714113189 572621706 /nfs/dbraw/zinc/62/17/06/572621706.db2.gz SQMDQXSVQFCXLQ-UHFFFAOYSA-N -1 3 190.198 1.587 10 0 ADAEHM Nc1c(Cl)ccc2c([O-])coc12 714113176 572622888 /nfs/dbraw/zinc/62/28/88/572622888.db2.gz QMSURRSVJOLNDO-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM Nc1ccc2c([O-])coc2c1Cl 714113225 572623004 /nfs/dbraw/zinc/62/30/04/572623004.db2.gz XRETUDXMFUJYLU-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM CNc1ccc2c([O-])coc2c1 714113148 572624049 /nfs/dbraw/zinc/62/40/49/572624049.db2.gz OAJMBFBOCSKMIK-UHFFFAOYSA-N -1 3 163.176 1.303 10 0 ADAEHM COC(C)(OC)c1ccccc1[O-] 196848946 572625067 /nfs/dbraw/zinc/62/50/67/572625067.db2.gz JPJOCGZGXHMMHV-UHFFFAOYSA-N -1 3 182.219 1.858 10 0 ADAEHM C[C@@H](CCNc1ccncc1)C(=O)[O-] 87633494 572626285 /nfs/dbraw/zinc/62/62/85/572626285.db2.gz JPMGQKNKNJDXRW-QMMMGPOBSA-N -1 3 194.234 1.604 10 0 ADAEHM C[C@H](CCNc1ccncc1)C(=O)[O-] 87633496 572628310 /nfs/dbraw/zinc/62/83/10/572628310.db2.gz JPMGQKNKNJDXRW-MRVPVSSYSA-N -1 3 194.234 1.604 10 0 ADAEHM O=C1CN(CC2CCCCC2)C(=O)[N-]1 70064607 572629835 /nfs/dbraw/zinc/62/98/35/572629835.db2.gz POHZXGLXTGUPES-UHFFFAOYSA-N -1 3 196.250 1.119 10 0 ADAEHM CCOc1cc(N)c2occ([O-])c2c1 714114773 572630216 /nfs/dbraw/zinc/63/02/16/572630216.db2.gz UECJVRPIVSTCKC-UHFFFAOYSA-N -1 3 193.202 1.243 10 0 ADAEHM Cc1coc(-c2cc(C=O)n[n-]2)n1 74307756 572630236 /nfs/dbraw/zinc/63/02/36/572630236.db2.gz AHBNWRRDPSTXDR-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1coc(-c2cc(C=O)[n-]n2)n1 74307756 572630241 /nfs/dbraw/zinc/63/02/41/572630241.db2.gz AHBNWRRDPSTXDR-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1ncc(-c2ncc(C=O)[n-]2)o1 74307669 572630476 /nfs/dbraw/zinc/63/04/76/572630476.db2.gz WIWRTBKRZGVGMM-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1ncc(-c2nc(C=O)c[n-]2)o1 74307669 572630477 /nfs/dbraw/zinc/63/04/77/572630477.db2.gz WIWRTBKRZGVGMM-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1cnc(-c2cc(C=O)n[n-]2)o1 74307755 572631910 /nfs/dbraw/zinc/63/19/10/572631910.db2.gz NCYVWQZJHHMGBZ-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1cc(-c2cc(C=O)n[n-]2)on1 74307641 572631403 /nfs/dbraw/zinc/63/14/03/572631403.db2.gz CULMWUKTHDLNJP-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1cc(-c2cc(C=O)[n-]n2)on1 74307641 572631406 /nfs/dbraw/zinc/63/14/06/572631406.db2.gz CULMWUKTHDLNJP-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1ncc(-c2cc(C=O)[n-]n2)o1 74307750 572631534 /nfs/dbraw/zinc/63/15/34/572631534.db2.gz GZMRYYOXOGYKDH-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM CCc1cc(O)cc2c([O-])coc12 714114801 572631554 /nfs/dbraw/zinc/63/15/54/572631554.db2.gz VVTQAKMRIHFWHC-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM Cc1ncoc1-c1cc(C=O)[n-]n1 74307761 572631761 /nfs/dbraw/zinc/63/17/61/572631761.db2.gz AVVGEAHXTUOTEI-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1cnc(-c2cc(C=O)[n-]n2)o1 74307755 572631913 /nfs/dbraw/zinc/63/19/13/572631913.db2.gz NCYVWQZJHHMGBZ-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM COCCc1ccc2c([O-])coc2c1 714115859 572633688 /nfs/dbraw/zinc/63/36/88/572633688.db2.gz NONPGVUGTXBMCJ-UHFFFAOYSA-N -1 3 192.214 1.451 10 0 ADAEHM COc1ccc2occ([O-])c2c1C 714115924 572636286 /nfs/dbraw/zinc/63/62/86/572636286.db2.gz BLHYHMQHPMJYRH-UHFFFAOYSA-N -1 3 178.187 1.579 10 0 ADAEHM C=Cc1ccc2c([O-])coc2c1 714116177 572637336 /nfs/dbraw/zinc/63/73/36/572637336.db2.gz RYJBIXUPMIWYNS-UHFFFAOYSA-N -1 3 160.172 1.905 10 0 ADAEHM COc1cc([O-])cc2c1CCCC2=O 714116299 572637630 /nfs/dbraw/zinc/63/76/30/572637630.db2.gz WRIRMTSMQBUTCO-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CCOc1cc2occ([O-])c2cc1C 714116199 572637732 /nfs/dbraw/zinc/63/77/32/572637732.db2.gz QSCHBKVSCQCAMH-UHFFFAOYSA-N -1 3 192.214 1.969 10 0 ADAEHM Cc1c(N)ccc2occ([O-])c12 714116023 572640906 /nfs/dbraw/zinc/64/09/06/572640906.db2.gz IRJMOBYXGDYUIX-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM C=Cc1cccc2occ([O-])c12 714116015 572640947 /nfs/dbraw/zinc/64/09/47/572640947.db2.gz HVLUOHWHIPLBPE-UHFFFAOYSA-N -1 3 160.172 1.905 10 0 ADAEHM Nc1ccc2occ([O-])c2c1Cl 714116344 572642043 /nfs/dbraw/zinc/64/20/43/572642043.db2.gz YITFOWLXDLLKNE-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM COc1cc2occ([O-])c2cc1C 714117241 572644675 /nfs/dbraw/zinc/64/46/75/572644675.db2.gz ROENXBDTMQZGQG-UHFFFAOYSA-N -1 3 178.187 1.579 10 0 ADAEHM CC(C)c1ccc(N)c2c([O-])coc12 714117262 572644682 /nfs/dbraw/zinc/64/46/82/572644682.db2.gz SDFFMCMEGGVSOM-UHFFFAOYSA-N -1 3 191.230 1.967 10 0 ADAEHM CCOc1ccc(N)c2occ([O-])c12 714117151 572645577 /nfs/dbraw/zinc/64/55/77/572645577.db2.gz PHDKHUWXRSAIJQ-UHFFFAOYSA-N -1 3 193.202 1.243 10 0 ADAEHM CCc1ccc(F)c2occ([O-])c12 714117139 572645875 /nfs/dbraw/zinc/64/58/75/572645875.db2.gz MSPAPZLIOWPTTB-UHFFFAOYSA-N -1 3 180.178 1.963 10 0 ADAEHM CCc1c(OC)ccc2occ([O-])c12 714117292 572646343 /nfs/dbraw/zinc/64/63/43/572646343.db2.gz VILPJXPDTBWQGX-UHFFFAOYSA-N -1 3 192.214 1.833 10 0 ADAEHM CCc1ccc(N)c2occ([O-])c12 714117163 572647011 /nfs/dbraw/zinc/64/70/11/572647011.db2.gz QFECTPUBMCWDGT-UHFFFAOYSA-N -1 3 177.203 1.406 10 0 ADAEHM Cc1ccc(N(C)C)c2occ([O-])c12 714117016 572649388 /nfs/dbraw/zinc/64/93/88/572649388.db2.gz BXBANHIQFPNVJB-UHFFFAOYSA-N -1 3 191.230 1.636 10 0 ADAEHM CCc1c(O)ccc2occ([O-])c12 714118946 572650633 /nfs/dbraw/zinc/65/06/33/572650633.db2.gz FCEGHTIJPKWMSI-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM CCOc1cc(O)c2c([O-])coc2c1 714119049 572650664 /nfs/dbraw/zinc/65/06/64/572650664.db2.gz LBOHIQPIFMANFH-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM O=C1CCCc2cc([O-])c(CO)cc21 714118989 572652873 /nfs/dbraw/zinc/65/28/73/572652873.db2.gz ICZIOXJVNOWPTB-UHFFFAOYSA-N -1 3 192.214 1.404 10 0 ADAEHM O=C1CCCc2c1ccc([O-])c2CO 714119107 572653237 /nfs/dbraw/zinc/65/32/37/572653237.db2.gz QBGURMYWGPBERK-UHFFFAOYSA-N -1 3 192.214 1.404 10 0 ADAEHM CCc1c(F)ccc2occ([O-])c12 714118953 572653740 /nfs/dbraw/zinc/65/37/40/572653740.db2.gz FZMWUFMKNMMZSV-UHFFFAOYSA-N -1 3 180.178 1.963 10 0 ADAEHM CC[C@H](C)CCC(=O)[N-]OC 307858370 572658231 /nfs/dbraw/zinc/65/82/31/572658231.db2.gz FMPUNZLVRQYEJV-ZETCQYMHSA-N -1 3 159.229 1.490 10 0 ADAEHM Nc1cc([O-])c2c(c1)CCCC2=O 714119492 572658749 /nfs/dbraw/zinc/65/87/49/572658749.db2.gz DSVINZMKEZENAC-UHFFFAOYSA-N -1 3 177.203 1.493 10 0 ADAEHM CC[C@@H](C)CCC(=O)[N-]OC 307858365 572660102 /nfs/dbraw/zinc/66/01/02/572660102.db2.gz FMPUNZLVRQYEJV-SSDOTTSWSA-N -1 3 159.229 1.490 10 0 ADAEHM C[C@H]1Cc2c([O-])cc(F)cc2N1 713731522 572664199 /nfs/dbraw/zinc/66/41/99/572664199.db2.gz WMOGWGKCFPJHPK-YFKPBYRVSA-N -1 3 167.183 1.888 10 0 ADAEHM C[C@@H]1Cc2c([O-])cc(F)cc2N1 713731521 572665024 /nfs/dbraw/zinc/66/50/24/572665024.db2.gz WMOGWGKCFPJHPK-RXMQYKEDSA-N -1 3 167.183 1.888 10 0 ADAEHM CCC[C@H](C)C(=O)[N-]OC 70268174 572673281 /nfs/dbraw/zinc/67/32/81/572673281.db2.gz CEZJOULTTXXLOK-LURJTMIESA-N -1 3 145.202 1.100 10 0 ADAEHM CCC[C@@H](C)C(=O)[N-]OC 70268173 572673553 /nfs/dbraw/zinc/67/35/53/572673553.db2.gz CEZJOULTTXXLOK-ZCFIWIBFSA-N -1 3 145.202 1.100 10 0 ADAEHM CCONC(=O)c1ccc([O-])cc1 70268092 572674428 /nfs/dbraw/zinc/67/44/28/572674428.db2.gz HQVHHZCJOACUEF-UHFFFAOYSA-N -1 3 181.191 1.074 10 0 ADAEHM CO[N-]C(=O)/C=C/c1ccc(C)s1 70267316 572674558 /nfs/dbraw/zinc/67/45/58/572674558.db2.gz ZMSXQIUZOJHJLW-AATRIKPKSA-N -1 3 197.259 1.747 10 0 ADAEHM CCn1ccnc1NC[C@@H](C)C(=O)[O-] 54334407 572678561 /nfs/dbraw/zinc/67/85/61/572678561.db2.gz DYPFZZBZPSUPBY-SSDOTTSWSA-N -1 3 197.238 1.036 10 0 ADAEHM N[C@@H](/C=C\C(=O)[O-])c1ccc(F)cc1 714527991 572678829 /nfs/dbraw/zinc/67/88/29/572678829.db2.gz QQHOSRVMEMNWHL-UDIARPCQSA-N -1 3 195.193 1.466 10 0 ADAEHM Cc1nc(-c2ccc(N)cc2[O-])n[nH]1 48630559 572679286 /nfs/dbraw/zinc/67/92/86/572679286.db2.gz HMADPCFWYUGAOD-UHFFFAOYSA-N -1 3 190.206 1.068 10 0 ADAEHM COCC(=O)Nc1ccc([O-])c(F)c1 70329844 572681142 /nfs/dbraw/zinc/68/11/42/572681142.db2.gz XEFMDSXSDULAEY-UHFFFAOYSA-N -1 3 199.181 1.116 10 0 ADAEHM CC(C)C[C@H]([NH3+])/C=C/P(=O)([O-])[O-] 307867294 572681413 /nfs/dbraw/zinc/68/14/13/572681413.db2.gz CBFLIHCXMZELLB-KGGZQZJCSA-N -1 3 193.183 1.051 10 0 ADAEHM CC(C)C[C@@H]([NH3+])/C=C/P(=O)([O-])[O-] 307867297 572682123 /nfs/dbraw/zinc/68/21/23/572682123.db2.gz CBFLIHCXMZELLB-SDLBARTOSA-N -1 3 193.183 1.051 10 0 ADAEHM N[C@@H]1CC(=O)c2ccc([O-])c(F)c21 713732875 572684090 /nfs/dbraw/zinc/68/40/90/572684090.db2.gz BINLGZJVVKAKKS-RXMQYKEDSA-N -1 3 181.166 1.118 10 0 ADAEHM CC(=O)Nc1cc(C=O)c([O-])cc1C 214713463 572685776 /nfs/dbraw/zinc/68/57/76/572685776.db2.gz KCLWXPSKFAUAJD-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM CN(C)CCn1[n-]c(C2CC2)cc1=O 116397304 572686549 /nfs/dbraw/zinc/68/65/49/572686549.db2.gz LUWHJXPGJIENDM-UHFFFAOYSA-N -1 3 195.266 1.028 10 0 ADAEHM CC(=O)Nc1cc(C)cc([O-])c1C=O 214712854 572686506 /nfs/dbraw/zinc/68/65/06/572686506.db2.gz WGSAPHPUWDMYFL-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM N[C@H]1CC(=O)c2ccc([O-])c(F)c21 713732877 572687028 /nfs/dbraw/zinc/68/70/28/572687028.db2.gz BINLGZJVVKAKKS-YFKPBYRVSA-N -1 3 181.166 1.118 10 0 ADAEHM CC(=O)Nc1ccc([O-])c(C=O)c1C 214713613 572687498 /nfs/dbraw/zinc/68/74/98/572687498.db2.gz RVWUOENYEUUXEL-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM CC(=O)Nc1ccc(C)c([O-])c1C=O 214713009 572687585 /nfs/dbraw/zinc/68/75/85/572687585.db2.gz GPWPPLDVMXEBOT-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM CC(=O)Nc1c(C)ccc([O-])c1C=O 214712929 572687592 /nfs/dbraw/zinc/68/75/92/572687592.db2.gz AAFAMFRYRVWSLW-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM CC[C@@H](C)Cn1ccc(=O)[n-]c1=S 54491531 572693881 /nfs/dbraw/zinc/69/38/81/572693881.db2.gz BHRRAQJOYZGAPS-SSDOTTSWSA-N -1 3 198.291 1.952 10 0 ADAEHM CSCc1nc(C(C)C)cc(=O)[n-]1 54494264 572693887 /nfs/dbraw/zinc/69/38/87/572693887.db2.gz VNIVTRGAJRFMTG-UHFFFAOYSA-N -1 3 198.291 1.756 10 0 ADAEHM CC[C@H](C)Cn1ccc(=O)[n-]c1=S 54491534 572694715 /nfs/dbraw/zinc/69/47/15/572694715.db2.gz BHRRAQJOYZGAPS-ZETCQYMHSA-N -1 3 198.291 1.952 10 0 ADAEHM CN(C)[C@@H](/C=C\C(=O)[O-])c1cc[nH]c1 714532908 572700926 /nfs/dbraw/zinc/70/09/26/572700926.db2.gz XORLXISLOLPVHU-TYRPZCRBSA-N -1 3 194.234 1.258 10 0 ADAEHM COc1ccc(C)c([O-])c1C=O 196863292 572701784 /nfs/dbraw/zinc/70/17/84/572701784.db2.gz SYLRLQDOEPUPNX-UHFFFAOYSA-N -1 3 166.176 1.522 10 0 ADAEHM Cc1c(-c2ccc(N)cc2)[n-]oc1=O 253622294 572701941 /nfs/dbraw/zinc/70/19/41/572701941.db2.gz SALHRBDIEFJVMC-UHFFFAOYSA-N -1 3 190.202 1.938 10 0 ADAEHM CCCOCc1nnc(Cl)[n-]1 70584137 572704518 /nfs/dbraw/zinc/70/45/18/572704518.db2.gz BDGGVOWDKDMZPW-UHFFFAOYSA-N -1 3 175.619 1.385 10 0 ADAEHM CCCOCc1n[n-]c(Cl)n1 70584137 572704520 /nfs/dbraw/zinc/70/45/20/572704520.db2.gz BDGGVOWDKDMZPW-UHFFFAOYSA-N -1 3 175.619 1.385 10 0 ADAEHM CCCOCc1nc(Cl)n[n-]1 70584137 572704524 /nfs/dbraw/zinc/70/45/24/572704524.db2.gz BDGGVOWDKDMZPW-UHFFFAOYSA-N -1 3 175.619 1.385 10 0 ADAEHM CC(C)c1cc(=O)[n-]c(NC2CC2)n1 70597362 572708915 /nfs/dbraw/zinc/70/89/15/572708915.db2.gz KBIUWXBUFKMKGD-UHFFFAOYSA-N -1 3 193.250 1.468 10 0 ADAEHM CC[C@]1(C(=O)[O-])CCN(CCF)C1 87776361 572709428 /nfs/dbraw/zinc/70/94/28/572709428.db2.gz DVXGBZSBGOHPEU-VIFPVBQESA-N -1 3 189.230 1.143 10 0 ADAEHM CC(C)(C)N(CCF)CCC(=O)[O-] 87776290 572710220 /nfs/dbraw/zinc/71/02/20/572710220.db2.gz HCLMVZRTYJDSKA-UHFFFAOYSA-N -1 3 191.246 1.531 10 0 ADAEHM CCN(CCF)[C@@H](C)CC(=O)[O-] 87776337 572711039 /nfs/dbraw/zinc/71/10/39/572711039.db2.gz ZBJNRJGPPVVTTP-ZETCQYMHSA-N -1 3 177.219 1.141 10 0 ADAEHM CC/C(=C/CN1CCC1)C(=O)[O-] 308097879 572711358 /nfs/dbraw/zinc/71/13/58/572711358.db2.gz DZWLHDYAICNVPV-YWEYNIOJSA-N -1 3 169.224 1.113 10 0 ADAEHM CC[C@@]1(C(=O)[O-])CCN(CCF)C1 87776362 572711396 /nfs/dbraw/zinc/71/13/96/572711396.db2.gz DVXGBZSBGOHPEU-SECBINFHSA-N -1 3 189.230 1.143 10 0 ADAEHM CC(C)N(CCF)CCCC(=O)[O-] 87776288 572711962 /nfs/dbraw/zinc/71/19/62/572711962.db2.gz QOXHWUVNLOAIMB-UHFFFAOYSA-N -1 3 191.246 1.531 10 0 ADAEHM CCN(CCF)[C@H](C)CC(=O)[O-] 87776338 572712639 /nfs/dbraw/zinc/71/26/39/572712639.db2.gz ZBJNRJGPPVVTTP-SSDOTTSWSA-N -1 3 177.219 1.141 10 0 ADAEHM CC/C(=C\CN1CCC1)C(=O)[O-] 308097878 572712798 /nfs/dbraw/zinc/71/27/98/572712798.db2.gz DZWLHDYAICNVPV-XBXARRHUSA-N -1 3 169.224 1.113 10 0 ADAEHM O=C([O-])[C@@H]1CC[C@@H]1NCc1ccoc1 236435823 572715345 /nfs/dbraw/zinc/71/53/45/572715345.db2.gz RNECLUQQZHEAKP-BDAKNGLRSA-N -1 3 195.218 1.232 10 0 ADAEHM O=c1[nH]c2ccccc2c2c[n-]nc12 196920557 572715981 /nfs/dbraw/zinc/71/59/81/572715981.db2.gz QMYVMJLZNHCGEZ-UHFFFAOYSA-N -1 3 185.186 1.404 10 0 ADAEHM CN1CC/C(=C/C(=O)[O-])CC1(C)C 308099227 572717304 /nfs/dbraw/zinc/71/73/04/572717304.db2.gz DFLDEGBQCNVRFO-VURMDHGXSA-N -1 3 183.251 1.502 10 0 ADAEHM O=C([O-])/C=C\NCCCC(F)(F)F 308099236 572718649 /nfs/dbraw/zinc/71/86/49/572718649.db2.gz DGCOIUZQZNRSHN-DJWKRKHSSA-N -1 3 197.156 1.517 10 0 ADAEHM O=C([O-])/C=C/CNCCC(F)(F)F 236438306 572723004 /nfs/dbraw/zinc/72/30/04/572723004.db2.gz DJAQASGNAPTQAJ-OWOJBTEDSA-N -1 3 197.156 1.169 10 0 ADAEHM O=C([O-])/C=C/CNCc1ccoc1 236439663 572725993 /nfs/dbraw/zinc/72/59/93/572725993.db2.gz VCYXOGLANARZOS-OWOJBTEDSA-N -1 3 181.191 1.010 10 0 ADAEHM O=C([O-])/C=C/NCCCC(F)(F)F 236442473 572726874 /nfs/dbraw/zinc/72/68/74/572726874.db2.gz DGCOIUZQZNRSHN-GORDUTHDSA-N -1 3 197.156 1.517 10 0 ADAEHM O=C([O-])/C=C/CNCc1ccsc1 236439681 572727433 /nfs/dbraw/zinc/72/74/33/572727433.db2.gz PABJFJFGBZFJON-OWOJBTEDSA-N -1 3 197.259 1.479 10 0 ADAEHM CCCNc1nc[n-]c(=O)c1CCC 87841823 572728015 /nfs/dbraw/zinc/72/80/15/572728015.db2.gz MFRCDPIVLDZSMY-UHFFFAOYSA-N -1 3 195.266 1.544 10 0 ADAEHM Cc1cc([C@H](N)C(=O)[O-])sc1C 49072691 572732964 /nfs/dbraw/zinc/73/29/64/572732964.db2.gz OCYGIQDKUZGLJE-ZETCQYMHSA-N -1 3 185.248 1.449 10 0 ADAEHM Cc1cc2c(cc1C(=O)[O-])[C@H](N)CO2 713740968 572734658 /nfs/dbraw/zinc/73/46/58/572734658.db2.gz BIYODPKUTNABHH-MRVPVSSYSA-N -1 3 193.202 1.085 10 0 ADAEHM C[C@H]1C[C@H](O)c2cccc([O-])c2C1=O 49089428 572734699 /nfs/dbraw/zinc/73/46/99/572734699.db2.gz LTCYDYCPYAZYFF-RCOVLWMOSA-N -1 3 192.214 1.648 10 0 ADAEHM Cc1cc2c(cc1C(=O)[O-])[C@@H](N)CO2 713740969 572735222 /nfs/dbraw/zinc/73/52/22/572735222.db2.gz BIYODPKUTNABHH-QMMMGPOBSA-N -1 3 193.202 1.085 10 0 ADAEHM N[C@@H](/C=C\C(=O)[O-])c1cccs1 714539795 572736839 /nfs/dbraw/zinc/73/68/39/572736839.db2.gz FTAFYHANSJLBLN-SYDCGGLASA-N -1 3 183.232 1.389 10 0 ADAEHM O=C([O-])[C@H]1CC[C@@H]1NCc1ccoc1 236451023 572738448 /nfs/dbraw/zinc/73/84/48/572738448.db2.gz RNECLUQQZHEAKP-IUCAKERBSA-N -1 3 195.218 1.232 10 0 ADAEHM CC(C)CCOc1cc[n-]c(=NN)n1 87877906 572739176 /nfs/dbraw/zinc/73/91/76/572739176.db2.gz ILCKWCBCLYTMFK-UHFFFAOYSA-N -1 3 196.254 1.187 10 0 ADAEHM O=C([O-])[C@H]1CC[C@H]1NCc1ccoc1 236454844 572739358 /nfs/dbraw/zinc/73/93/58/572739358.db2.gz RNECLUQQZHEAKP-DTWKUNHWSA-N -1 3 195.218 1.232 10 0 ADAEHM CCCNc1cc(=O)[n-]c(CCC)n1 87907873 572739645 /nfs/dbraw/zinc/73/96/45/572739645.db2.gz IPEXDKXPMSGAOE-UHFFFAOYSA-N -1 3 195.266 1.544 10 0 ADAEHM CCCCCOc1cc[n-]c(=NN)n1 87880208 572740450 /nfs/dbraw/zinc/74/04/50/572740450.db2.gz MFDRVGFHJRGYCC-UHFFFAOYSA-N -1 3 196.254 1.331 10 0 ADAEHM CCCCSc1ccnc(=NN)[n-]1 87891290 572740646 /nfs/dbraw/zinc/74/06/46/572740646.db2.gz SGNLTQMKNSDZJF-UHFFFAOYSA-N -1 3 198.295 1.654 10 0 ADAEHM CCN(C)C[C@@H](C(=O)[O-])C(F)(F)F 87921000 572742740 /nfs/dbraw/zinc/74/27/40/572742740.db2.gz CJFICODJLUYQCX-YFKPBYRVSA-N -1 3 199.172 1.201 10 0 ADAEHM CCN(C)C[C@H](C(=O)[O-])C(F)(F)F 87921001 572744680 /nfs/dbraw/zinc/74/46/80/572744680.db2.gz CJFICODJLUYQCX-RXMQYKEDSA-N -1 3 199.172 1.201 10 0 ADAEHM C[C@H](CCc1cnccc1N)C(=O)[O-] 87925512 572748783 /nfs/dbraw/zinc/74/87/83/572748783.db2.gz MVFALDURMDYCSO-SSDOTTSWSA-N -1 3 194.234 1.317 10 0 ADAEHM C[C@@H](CCc1cnccc1N)C(=O)[O-] 87925511 572748936 /nfs/dbraw/zinc/74/89/36/572748936.db2.gz MVFALDURMDYCSO-ZETCQYMHSA-N -1 3 194.234 1.317 10 0 ADAEHM C[C@H](CC(=O)[O-])Cc1cnccc1N 87925246 572749907 /nfs/dbraw/zinc/74/99/07/572749907.db2.gz KYYQARGCTFQLGE-ZETCQYMHSA-N -1 3 194.234 1.317 10 0 ADAEHM Nc1ccncc1CCCC(=O)[O-] 87925739 572750424 /nfs/dbraw/zinc/75/04/24/572750424.db2.gz CKYCRPWDNRSXGR-UHFFFAOYSA-N -1 3 180.207 1.071 10 0 ADAEHM C=C/C=C/CCNc1cc(=O)[n-]cn1 713488158 572750714 /nfs/dbraw/zinc/75/07/14/572750714.db2.gz SUJXXMGHGUNENC-ONEGZZNKSA-N -1 3 191.234 1.726 10 0 ADAEHM C[C@@H](CC(=O)[O-])Cc1cnccc1N 87925247 572751057 /nfs/dbraw/zinc/75/10/57/572751057.db2.gz KYYQARGCTFQLGE-SSDOTTSWSA-N -1 3 194.234 1.317 10 0 ADAEHM C=C/C=C\CCNc1cc(=O)[n-]cn1 713488157 572752971 /nfs/dbraw/zinc/75/29/71/572752971.db2.gz SUJXXMGHGUNENC-ARJAWSKDSA-N -1 3 191.234 1.726 10 0 ADAEHM O=C([O-])c1ccoc1CNC1CCC1 236466078 572756616 /nfs/dbraw/zinc/75/66/16/572756616.db2.gz XWESFVJBGHRTBU-UHFFFAOYSA-N -1 3 195.218 1.620 10 0 ADAEHM CCC[C@@H](N)c1nc(C)c(C)c(=O)[n-]1 70948111 572758315 /nfs/dbraw/zinc/75/83/15/572758315.db2.gz KSEDWOOBSKEXOL-MRVPVSSYSA-N -1 3 195.266 1.187 10 0 ADAEHM O=C([O-])c1ccc(CNC2CCC2)o1 70946750 572758449 /nfs/dbraw/zinc/75/84/49/572758449.db2.gz JQMXJIWDIQWJQV-UHFFFAOYSA-N -1 3 195.218 1.620 10 0 ADAEHM C[C@H](N)c1nc(C(C)(C)C)cc(=O)[n-]1 70947618 572758707 /nfs/dbraw/zinc/75/87/07/572758707.db2.gz NPHJSDHBHZPYRN-LURJTMIESA-N -1 3 195.266 1.087 10 0 ADAEHM Cc1nc([C@@H](N)C(C)C)[n-]c(=O)c1C 70948248 572760110 /nfs/dbraw/zinc/76/01/10/572760110.db2.gz PDOISCOYWOAPEM-QMMMGPOBSA-N -1 3 195.266 1.043 10 0 ADAEHM Cc1nc([C@H](N)C(C)C)[n-]c(=O)c1C 70948242 572760524 /nfs/dbraw/zinc/76/05/24/572760524.db2.gz PDOISCOYWOAPEM-MRVPVSSYSA-N -1 3 195.266 1.043 10 0 ADAEHM CCC[C@H](N)c1nc(C)c(C)c(=O)[n-]1 70948109 572760757 /nfs/dbraw/zinc/76/07/57/572760757.db2.gz KSEDWOOBSKEXOL-QMMMGPOBSA-N -1 3 195.266 1.187 10 0 ADAEHM CCOC([O-])=NOCCSC 307913886 572763861 /nfs/dbraw/zinc/76/38/61/572763861.db2.gz ABYKAJUMCZUKBV-UHFFFAOYSA-N -1 3 179.241 1.027 10 0 ADAEHM CCOC(=O)[N-]OCCSC 307913886 572763863 /nfs/dbraw/zinc/76/38/63/572763863.db2.gz ABYKAJUMCZUKBV-UHFFFAOYSA-N -1 3 179.241 1.027 10 0 ADAEHM CCCC(=O)[N-]O[C@@H](C)CC 307912778 572763974 /nfs/dbraw/zinc/76/39/74/572763974.db2.gz YFAHECJSNSWCHM-ZETCQYMHSA-N -1 3 159.229 1.633 10 0 ADAEHM CCCC(=O)[N-]O[C@H](C)CC 307912777 572764370 /nfs/dbraw/zinc/76/43/70/572764370.db2.gz YFAHECJSNSWCHM-SSDOTTSWSA-N -1 3 159.229 1.633 10 0 ADAEHM O=C([O-])C/C=C/CN1CCCCC1 167651808 572764856 /nfs/dbraw/zinc/76/48/56/572764856.db2.gz NVRPVCWJGDAEGG-GORDUTHDSA-N -1 3 183.251 1.503 10 0 ADAEHM COc1cc([O-])c2c(c1)C(=O)OC2 141506550 572765574 /nfs/dbraw/zinc/76/55/74/572765574.db2.gz NNNAWHQMILAGGL-UHFFFAOYSA-N -1 3 180.159 1.071 10 0 ADAEHM C/C=C\c1c(CO)cnc(C)c1[O-] 308121850 572766694 /nfs/dbraw/zinc/76/66/94/572766694.db2.gz MCWAAJSQGMDEHP-ARJAWSKDSA-N -1 3 179.219 1.621 10 0 ADAEHM CCSCCCO[N-]C(C)=O 307918062 572767722 /nfs/dbraw/zinc/76/77/22/572767722.db2.gz DHRVHKQJBJUSCR-UHFFFAOYSA-N -1 3 177.269 1.197 10 0 ADAEHM O=C([O-])/C=C\CNCc1cccs1 308117725 572775813 /nfs/dbraw/zinc/77/58/13/572775813.db2.gz VVHSUVHVFXSZQY-RJRFIUFISA-N -1 3 197.259 1.479 10 0 ADAEHM O=c1cc(NCCCCF)nc[n-]1 308118870 572776171 /nfs/dbraw/zinc/77/61/71/572776171.db2.gz BXJJZTAZZRGLOZ-UHFFFAOYSA-N -1 3 185.202 1.344 10 0 ADAEHM O=C([O-])c1occc1CNC1CCC1 236474345 572778707 /nfs/dbraw/zinc/77/87/07/572778707.db2.gz KZYJKCPLQHFIMD-UHFFFAOYSA-N -1 3 195.218 1.620 10 0 ADAEHM CCO[N-]C(=O)[C@@H](C)CC(C)C 307929730 572778908 /nfs/dbraw/zinc/77/89/08/572778908.db2.gz DLVTWSUDBPZCCC-QMMMGPOBSA-N -1 3 173.256 1.736 10 0 ADAEHM CCO[N-]C(=O)[C@H](C)CC(C)C 307929729 572779196 /nfs/dbraw/zinc/77/91/96/572779196.db2.gz DLVTWSUDBPZCCC-MRVPVSSYSA-N -1 3 173.256 1.736 10 0 ADAEHM CSCCC(=O)[N-]OC1CCC1 307929055 572779266 /nfs/dbraw/zinc/77/92/66/572779266.db2.gz CUNWTHPSAZUFFO-UHFFFAOYSA-N -1 3 189.280 1.340 10 0 ADAEHM N[C@H]1CC(=O)c2c([O-])ccc(Cl)c21 713752703 572784219 /nfs/dbraw/zinc/78/42/19/572784219.db2.gz IJRRISGXCQRLSX-YFKPBYRVSA-N -1 3 197.621 1.632 10 0 ADAEHM O=C(OCF)c1cc2occc2[n-]1 141617974 572785509 /nfs/dbraw/zinc/78/55/09/572785509.db2.gz ZCPSDORYYIVTNZ-UHFFFAOYSA-N -1 3 183.138 1.845 10 0 ADAEHM Cc1cc(F)c([O-])cc1O 141591537 572785589 /nfs/dbraw/zinc/78/55/89/572785589.db2.gz UIFQARAIVLPDOJ-UHFFFAOYSA-N -1 3 142.129 1.545 10 0 ADAEHM N[C@@H]1CC(=O)c2ccc([O-])c(Cl)c21 713752445 572786440 /nfs/dbraw/zinc/78/64/40/572786440.db2.gz FROWUMKVWJFPKK-RXMQYKEDSA-N -1 3 197.621 1.632 10 0 ADAEHM COc1cccc2c(C=O)c([O-])[nH]c12 250405855 572788647 /nfs/dbraw/zinc/78/86/47/572788647.db2.gz SBBGTYFIUFBAMF-UHFFFAOYSA-N -1 3 191.186 1.695 10 0 ADAEHM [O-]c1ccc(O)c2c1nc1n2CCC1 141639170 572790487 /nfs/dbraw/zinc/79/04/87/572790487.db2.gz LMPZUCGEGHLCLH-UHFFFAOYSA-N -1 3 190.202 1.394 10 0 ADAEHM CC1(C)CCc2c(nc(N)[n-]c2=O)C1 141644306 572791519 /nfs/dbraw/zinc/79/15/19/572791519.db2.gz KZMUSHZPNNCBQV-UHFFFAOYSA-N -1 3 193.250 1.279 10 0 ADAEHM COC([O-])=NOC/C=C\Cl 198575080 572791602 /nfs/dbraw/zinc/79/16/02/572791602.db2.gz RGWAIENMMQUIQZ-IHWYPQMZSA-N -1 3 165.576 1.027 10 0 ADAEHM COC(=O)[N-]OC/C=C\Cl 198575080 572791607 /nfs/dbraw/zinc/79/16/07/572791607.db2.gz RGWAIENMMQUIQZ-IHWYPQMZSA-N -1 3 165.576 1.027 10 0 ADAEHM C[C@H]1CN(/C=C\C(=O)[O-])CCS1 307934824 572791898 /nfs/dbraw/zinc/79/18/98/572791898.db2.gz RUPKDPUIVRIQBM-XDVGHUOJSA-N -1 3 187.264 1.022 10 0 ADAEHM N[C@H]1CC(=O)c2c1ccc([O-])c2F 713756341 572794457 /nfs/dbraw/zinc/79/44/57/572794457.db2.gz VERZKPAJEKTPAL-YFKPBYRVSA-N -1 3 181.166 1.118 10 0 ADAEHM N[C@@H]1CC(=O)c2c1ccc([O-])c2F 713756340 572796224 /nfs/dbraw/zinc/79/62/24/572796224.db2.gz VERZKPAJEKTPAL-RXMQYKEDSA-N -1 3 181.166 1.118 10 0 ADAEHM C[C@@H]1C[C@@H](C(=O)[O-])CCN1CCF 235341295 572798801 /nfs/dbraw/zinc/79/88/01/572798801.db2.gz PDMWMPIANCZJRK-SFYZADRCSA-N -1 3 189.230 1.141 10 0 ADAEHM CNCC(=O)c1cc(Cl)ccc1[O-] 75068361 572801799 /nfs/dbraw/zinc/80/17/99/572801799.db2.gz ATXDSZMCTIOTCA-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM C[C@@H](N)C(=O)c1cccc(Cl)c1[O-] 75068360 572802817 /nfs/dbraw/zinc/80/28/17/572802817.db2.gz MNFNYQXMISARQC-RXMQYKEDSA-N -1 3 199.637 1.576 10 0 ADAEHM C[C@@H](N)C(=O)c1cc(Cl)ccc1[O-] 75068363 572803787 /nfs/dbraw/zinc/80/37/87/572803787.db2.gz LKDHEJFJGCUFPV-RXMQYKEDSA-N -1 3 199.637 1.576 10 0 ADAEHM C[C@H](N)C(=O)c1cccc(Cl)c1[O-] 75068359 572803846 /nfs/dbraw/zinc/80/38/46/572803846.db2.gz MNFNYQXMISARQC-YFKPBYRVSA-N -1 3 199.637 1.576 10 0 ADAEHM C[C@H](N)C(=O)c1cc(Cl)ccc1[O-] 75068362 572804791 /nfs/dbraw/zinc/80/47/91/572804791.db2.gz LKDHEJFJGCUFPV-YFKPBYRVSA-N -1 3 199.637 1.576 10 0 ADAEHM N[C@@H](/C=C\C(=O)[O-])c1ccccc1F 714557699 572804985 /nfs/dbraw/zinc/80/49/85/572804985.db2.gz PWZHBVLFXGMIEF-UDIARPCQSA-N -1 3 195.193 1.466 10 0 ADAEHM Cc1c(-c2cc[nH]c2)nc(N)[n-]c1=O 257583844 572806013 /nfs/dbraw/zinc/80/60/13/572806013.db2.gz OTLXDMPYSWVEGJ-UHFFFAOYSA-N -1 3 190.206 1.068 10 0 ADAEHM CC(C)Oc1ccc([O-])c(C(N)=O)c1 71455265 572808369 /nfs/dbraw/zinc/80/83/69/572808369.db2.gz DVROOGCGBOTFKF-UHFFFAOYSA-N -1 3 195.218 1.278 10 0 ADAEHM CCO[N-]C(=O)C[C@H](C)C1CC1 308137074 572809357 /nfs/dbraw/zinc/80/93/57/572809357.db2.gz DZGJRJTYZFWZAI-ZETCQYMHSA-N -1 3 171.240 1.490 10 0 ADAEHM CC(=O)[N-]OCCc1cccs1 307942580 572809608 /nfs/dbraw/zinc/80/96/08/572809608.db2.gz DGUJRQFBECKFGX-UHFFFAOYSA-N -1 3 185.248 1.358 10 0 ADAEHM CC/C(C(=O)[O-])=C1/CCCN(C)C1 714334160 572810877 /nfs/dbraw/zinc/81/08/77/572810877.db2.gz WQUUPXPIUYLABJ-CMDGGOBGSA-N -1 3 183.251 1.503 10 0 ADAEHM CC(C)c1cc(C(N)=O)ccc1[O-] 71455746 572812687 /nfs/dbraw/zinc/81/26/87/572812687.db2.gz XPGPLUGZLLYMMD-UHFFFAOYSA-N -1 3 179.219 1.615 10 0 ADAEHM CN(C)Cc1cc(F)cc(C=O)c1[O-] 75123665 572815198 /nfs/dbraw/zinc/81/51/98/572815198.db2.gz NPUGYSDPUILXEO-UHFFFAOYSA-N -1 3 197.209 1.405 10 0 ADAEHM CC(C)COC(=O)c1cn[n-]c1 308134691 572816495 /nfs/dbraw/zinc/81/64/95/572816495.db2.gz ZKIBSQXKWJIIEC-UHFFFAOYSA-N -1 3 168.196 1.223 10 0 ADAEHM CN(C)Cc1cc(F)c([O-])c(C=O)c1 75123660 572817237 /nfs/dbraw/zinc/81/72/37/572817237.db2.gz VCFIBOHBKROBLL-UHFFFAOYSA-N -1 3 197.209 1.405 10 0 ADAEHM C/C=C/COC(=O)c1cn[n-]c1 307947087 572818210 /nfs/dbraw/zinc/81/82/10/572818210.db2.gz KRUYEVVXLZJNNR-NSCUHMNNSA-N -1 3 166.180 1.143 10 0 ADAEHM O=Cc1cnc(=O)[n-]c1C(F)(F)F 75120084 572819085 /nfs/dbraw/zinc/81/90/85/572819085.db2.gz YIMINGZVOVJXLN-UHFFFAOYSA-N -1 3 192.096 1.014 10 0 ADAEHM CCO[N-]C(=O)C1(C(C)C)CC1 308139601 572819726 /nfs/dbraw/zinc/81/97/26/572819726.db2.gz GOTYQVXUCQXUFD-UHFFFAOYSA-N -1 3 171.240 1.490 10 0 ADAEHM C/C=C\COC(=O)c1cn[n-]c1 307947086 572820226 /nfs/dbraw/zinc/82/02/26/572820226.db2.gz KRUYEVVXLZJNNR-IHWYPQMZSA-N -1 3 166.180 1.143 10 0 ADAEHM Cc1cc(C=O)cc(CN(C)C)c1[O-] 75120774 572821337 /nfs/dbraw/zinc/82/13/37/572821337.db2.gz KZRKHPWJVDMVRS-UHFFFAOYSA-N -1 3 193.246 1.575 10 0 ADAEHM C[C@@H](O)c1ccc([O-])c2ncccc12 71453890 572821963 /nfs/dbraw/zinc/82/19/63/572821963.db2.gz ICRIDBBWEKAZMG-SSDOTTSWSA-N -1 3 189.214 1.994 10 0 ADAEHM C[C@H](O)c1ccc([O-])c2ncccc12 71453889 572822316 /nfs/dbraw/zinc/82/23/16/572822316.db2.gz ICRIDBBWEKAZMG-ZETCQYMHSA-N -1 3 189.214 1.994 10 0 ADAEHM CCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 85828033 572825026 /nfs/dbraw/zinc/82/50/26/572825026.db2.gz LZQJTPLBSGOTCS-ZETCQYMHSA-N -1 3 197.234 1.991 10 0 ADAEHM CCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 85828034 572825340 /nfs/dbraw/zinc/82/53/40/572825340.db2.gz LZQJTPLBSGOTCS-SSDOTTSWSA-N -1 3 197.234 1.991 10 0 ADAEHM CCO[N-]C(=O)CCCC1CC1 308141520 572827733 /nfs/dbraw/zinc/82/77/33/572827733.db2.gz HRMQFAHNIOPTDN-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM N[C@@H]1CC(=O)c2c1ccc([O-])c2Cl 713762210 572826769 /nfs/dbraw/zinc/82/67/69/572826769.db2.gz KMPJUCWOMJYJIO-RXMQYKEDSA-N -1 3 197.621 1.632 10 0 ADAEHM CCc1cc([O-])ccc1C(N)=O 71463514 572827331 /nfs/dbraw/zinc/82/73/31/572827331.db2.gz XDMARBXHWINXIG-UHFFFAOYSA-N -1 3 165.192 1.054 10 0 ADAEHM N[C@H]1CC(=O)c2c1ccc([O-])c2Cl 713762214 572827796 /nfs/dbraw/zinc/82/77/96/572827796.db2.gz KMPJUCWOMJYJIO-YFKPBYRVSA-N -1 3 197.621 1.632 10 0 ADAEHM CCO[N-]C(=O)CC(CC)CC 308141979 572828429 /nfs/dbraw/zinc/82/84/29/572828429.db2.gz HYYPHMQIKXTTCV-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM Cc1[n-]c(=O)nc2cc(Cl)ccc12 214779996 572829269 /nfs/dbraw/zinc/82/92/69/572829269.db2.gz CZCPYLVMKKWXLJ-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM N[C@@H]1CC(=O)c2cc([O-])c(Cl)cc21 713762693 572830371 /nfs/dbraw/zinc/83/03/71/572830371.db2.gz MBZNAHXUKKWQRC-SSDOTTSWSA-N -1 3 197.621 1.632 10 0 ADAEHM Cc1[n-]c(=O)nc2cccc(Cl)c12 214779917 572830314 /nfs/dbraw/zinc/83/03/14/572830314.db2.gz YLXVEVVGKKUJNV-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM N[C@H]1CC(=O)c2cc([O-])cc(F)c21 713763965 572830531 /nfs/dbraw/zinc/83/05/31/572830531.db2.gz XBJYVDUSXUGJJA-ZETCQYMHSA-N -1 3 181.166 1.118 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)CCSC 307952318 572830923 /nfs/dbraw/zinc/83/09/23/572830923.db2.gz OWEKEPBIYZJTLF-SSDOTTSWSA-N -1 3 191.296 1.586 10 0 ADAEHM N[C@H]1CC(=O)c2cc([O-])c(Cl)cc21 713762694 572831179 /nfs/dbraw/zinc/83/11/79/572831179.db2.gz MBZNAHXUKKWQRC-ZETCQYMHSA-N -1 3 197.621 1.632 10 0 ADAEHM Cc1cc([O-])c(C=O)cc1CO 198980723 572832878 /nfs/dbraw/zinc/83/28/78/572832878.db2.gz AQBFCLODQGMYMZ-UHFFFAOYSA-N -1 3 166.176 1.005 10 0 ADAEHM Cc1cc(CN(C)C)n(C)c1C(=O)[O-] 75393816 572833862 /nfs/dbraw/zinc/83/38/62/572833862.db2.gz SYSABMLSBRCEJG-UHFFFAOYSA-N -1 3 196.250 1.093 10 0 ADAEHM N[C@@H]1CC(=O)c2cc([O-])c(F)c(F)c21 713764133 572834124 /nfs/dbraw/zinc/83/41/24/572834124.db2.gz SFZZVMNUGYIPHZ-SCSAIBSYSA-N -1 3 199.156 1.257 10 0 ADAEHM N[C@H]1CC(=O)c2cc([O-])c(F)c(F)c21 713764126 572834999 /nfs/dbraw/zinc/83/49/99/572834999.db2.gz SFZZVMNUGYIPHZ-BYPYZUCNSA-N -1 3 199.156 1.257 10 0 ADAEHM CC(C)NC(=O)c1cc([O-])ccc1F 334620652 572835124 /nfs/dbraw/zinc/83/51/24/572835124.db2.gz JXIBOSLVIFBROT-UHFFFAOYSA-N -1 3 197.209 1.670 10 0 ADAEHM Cc1cc(CN(C)C)[nH]c1C(=O)[O-] 75393807 572835361 /nfs/dbraw/zinc/83/53/61/572835361.db2.gz NMRRSNQYPFBLQT-UHFFFAOYSA-N -1 3 182.223 1.083 10 0 ADAEHM N[C@@H]1CC(=O)c2cc([O-])cc(F)c21 713763964 572836683 /nfs/dbraw/zinc/83/66/83/572836683.db2.gz XBJYVDUSXUGJJA-SSDOTTSWSA-N -1 3 181.166 1.118 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cccnc1 75395353 572838943 /nfs/dbraw/zinc/83/89/43/572838943.db2.gz CEHSGTOTAMNDFU-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC[C@@H](C)N1CCC(=CC(=O)[O-])CC1 71507542 572839393 /nfs/dbraw/zinc/83/93/93/572839393.db2.gz LYSGOMNTIDZOTA-SECBINFHSA-N -1 3 197.278 1.892 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1cccs1 75395352 572839605 /nfs/dbraw/zinc/83/96/05/572839605.db2.gz WXDJUWGUBJOXPT-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1cccs1 75395352 572839609 /nfs/dbraw/zinc/83/96/09/572839609.db2.gz WXDJUWGUBJOXPT-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cccs1 75395352 572839610 /nfs/dbraw/zinc/83/96/10/572839610.db2.gz WXDJUWGUBJOXPT-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM O=C([O-])/C=C1\CCN2CCCC[C@H]2C1 71482015 572840588 /nfs/dbraw/zinc/84/05/88/572840588.db2.gz VXIUFHMUFKAGSH-DDXVTDLHSA-N -1 3 195.262 1.646 10 0 ADAEHM Cc1nnsc1-c1c[n-]c(C=O)n1 75408112 572841000 /nfs/dbraw/zinc/84/10/00/572841000.db2.gz UVJPAQWINJIRGE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM CC[C@H](C)N1CCC(=CC(=O)[O-])CC1 71507543 572841274 /nfs/dbraw/zinc/84/12/74/572841274.db2.gz LYSGOMNTIDZOTA-VIFPVBQESA-N -1 3 197.278 1.892 10 0 ADAEHM Cc1nc(C)c(-c2cnc(C=O)[n-]2)o1 75408214 572842059 /nfs/dbraw/zinc/84/20/59/572842059.db2.gz JVPOBUVPFLXPFH-UHFFFAOYSA-N -1 3 191.190 1.494 10 0 ADAEHM Cc1nc(C)c(-c2c[n-]c(C=O)n2)o1 75408214 572842062 /nfs/dbraw/zinc/84/20/62/572842062.db2.gz JVPOBUVPFLXPFH-UHFFFAOYSA-N -1 3 191.190 1.494 10 0 ADAEHM O=C([O-])CCNC/C(Cl)=C/Cl 86000600 572842678 /nfs/dbraw/zinc/84/26/78/572842678.db2.gz ACOWZQASGLPGFT-HYXAFXHYSA-N -1 3 198.049 1.370 10 0 ADAEHM Cc1cc(-c2cnc(C=O)[n-]2)no1 75408133 572842786 /nfs/dbraw/zinc/84/27/86/572842786.db2.gz PQMBLAUCMQYTEE-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1cc(-c2c[n-]c(C=O)n2)no1 75408133 572842790 /nfs/dbraw/zinc/84/27/90/572842790.db2.gz PQMBLAUCMQYTEE-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1conc1-c1cnc(C=O)[n-]1 75408147 572843162 /nfs/dbraw/zinc/84/31/62/572843162.db2.gz ZYWUMBYYTSHIOQ-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1conc1-c1c[n-]c(C=O)n1 75408147 572843164 /nfs/dbraw/zinc/84/31/64/572843164.db2.gz ZYWUMBYYTSHIOQ-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM CCc1nc(C(C)=O)c([O-])o1 77260849 572846847 /nfs/dbraw/zinc/84/68/47/572846847.db2.gz PPRVADHGBVOAIL-UHFFFAOYSA-N -1 3 155.153 1.145 10 0 ADAEHM C=C([O-])C1N=C(CC)OC1=O 77260849 572846855 /nfs/dbraw/zinc/84/68/55/572846855.db2.gz PPRVADHGBVOAIL-UHFFFAOYSA-N -1 3 155.153 1.145 10 0 ADAEHM CCCCc1nc(C=O)cc(=O)[n-]1 308153731 572850030 /nfs/dbraw/zinc/85/00/30/572850030.db2.gz SCEKEJHWHRJSBH-UHFFFAOYSA-N -1 3 180.207 1.337 10 0 ADAEHM CC(C)(F)COC(=O)c1cn[n-]c1 308145324 572851095 /nfs/dbraw/zinc/85/10/95/572851095.db2.gz LJZDHQBICOYYBG-UHFFFAOYSA-N -1 3 186.186 1.315 10 0 ADAEHM CCSCc1nc(C=O)cc(=O)[n-]1 308144584 572850397 /nfs/dbraw/zinc/85/03/97/572850397.db2.gz NFIKMCOGQZSEPV-UHFFFAOYSA-N -1 3 198.247 1.248 10 0 ADAEHM CC(=O)c1nc(C2CC2)oc1[O-] 77262222 572850680 /nfs/dbraw/zinc/85/06/80/572850680.db2.gz PNHHXHABADJCMQ-UHFFFAOYSA-N -1 3 167.164 1.460 10 0 ADAEHM C=C([O-])C1N=C(C2CC2)OC1=O 77262222 572850682 /nfs/dbraw/zinc/85/06/82/572850682.db2.gz PNHHXHABADJCMQ-UHFFFAOYSA-N -1 3 167.164 1.460 10 0 ADAEHM C[C@@H](CNc1ccncc1)CC(=O)[O-] 87980975 572851309 /nfs/dbraw/zinc/85/13/09/572851309.db2.gz HGWNMRJFAUUAOT-MRVPVSSYSA-N -1 3 194.234 1.604 10 0 ADAEHM C[C@H](CNc1ccncc1)CC(=O)[O-] 87980974 572851602 /nfs/dbraw/zinc/85/16/02/572851602.db2.gz HGWNMRJFAUUAOT-QMMMGPOBSA-N -1 3 194.234 1.604 10 0 ADAEHM CCC/C=C/CCO[N-]C(C)=O 307961256 572851715 /nfs/dbraw/zinc/85/17/15/572851715.db2.gz XCIRTKIYJCFJKA-AATRIKPKSA-N -1 3 171.240 1.801 10 0 ADAEHM CCC/C=C\CCO[N-]C(C)=O 307961258 572853126 /nfs/dbraw/zinc/85/31/26/572853126.db2.gz XCIRTKIYJCFJKA-WAYWQWQTSA-N -1 3 171.240 1.801 10 0 ADAEHM N[C@H](CCCC(=O)[O-])c1ccco1 75455221 572854642 /nfs/dbraw/zinc/85/46/42/572854642.db2.gz CFUDBIPWHXKQIN-SSDOTTSWSA-N -1 3 183.207 1.534 10 0 ADAEHM COC(=O)c1cnc(C(C)(C)OC)[n-]1 86075163 572854567 /nfs/dbraw/zinc/85/45/67/572854567.db2.gz BABXKUPNSOHEIV-UHFFFAOYSA-N -1 3 198.222 1.078 10 0 ADAEHM COC(=O)c1c[n-]c(C(C)(C)OC)n1 86075163 572854570 /nfs/dbraw/zinc/85/45/70/572854570.db2.gz BABXKUPNSOHEIV-UHFFFAOYSA-N -1 3 198.222 1.078 10 0 ADAEHM N[C@@H](CCCC(=O)[O-])c1ccco1 75455224 572855657 /nfs/dbraw/zinc/85/56/57/572855657.db2.gz CFUDBIPWHXKQIN-ZETCQYMHSA-N -1 3 183.207 1.534 10 0 ADAEHM Nc1coc(C([O-])=Cc2ccco2)c1 75479509 572855823 /nfs/dbraw/zinc/85/58/23/572855823.db2.gz YWFHLYYOEJHZTA-UHFFFAOYSA-N -1 3 191.186 1.880 10 0 ADAEHM O=C([O-])c1csc2c1CNCC2 75464419 572856068 /nfs/dbraw/zinc/85/60/68/572856068.db2.gz YIQCGHWMJHRWAF-UHFFFAOYSA-N -1 3 183.232 1.092 10 0 ADAEHM Cc1nsc2oc(C(=O)[O-])c(N)c12 75520111 572857108 /nfs/dbraw/zinc/85/71/08/572857108.db2.gz VVFMURROXPJNQJ-UHFFFAOYSA-N -1 3 198.203 1.478 10 0 ADAEHM O=C1c2ccccc2-c2ccc(=O)[n-]c21 238604086 572864660 /nfs/dbraw/zinc/86/46/60/572864660.db2.gz YWZKFDKMKKEVKT-UHFFFAOYSA-N -1 3 197.193 1.586 10 0 ADAEHM [O-]c1ccc2c(CCO)noc2c1 75568997 572867938 /nfs/dbraw/zinc/86/79/38/572867938.db2.gz XFJCMJGKMMCHCI-UHFFFAOYSA-N -1 3 179.175 1.068 10 0 ADAEHM O=c1c(Cl)c[n-]c2ncccc12 75570368 572869154 /nfs/dbraw/zinc/86/91/54/572869154.db2.gz LSPXMCZWMLQSFX-UHFFFAOYSA-N -1 3 180.594 1.989 10 0 ADAEHM COCc1cccc(C(C)=O)c1[O-] 75569802 572869814 /nfs/dbraw/zinc/86/98/14/572869814.db2.gz AUPQTLYTDMSQBO-UHFFFAOYSA-N -1 3 180.203 1.741 10 0 ADAEHM CC(C)(C)[C@@H](N)c1cc(C(=O)[O-])n[nH]1 77597599 572870865 /nfs/dbraw/zinc/87/08/65/572870865.db2.gz UJMZSRAEELMTGY-ZETCQYMHSA-N -1 3 197.238 1.154 10 0 ADAEHM CC(C)(C)[C@H](N)c1cc(C(=O)[O-])n[nH]1 77597596 572871228 /nfs/dbraw/zinc/87/12/28/572871228.db2.gz UJMZSRAEELMTGY-SSDOTTSWSA-N -1 3 197.238 1.154 10 0 ADAEHM Cc1noc2cc(=O)[n-]c(Cl)c12 75576766 572871679 /nfs/dbraw/zinc/87/16/79/572871679.db2.gz LHGJOEVEDRPFNK-UHFFFAOYSA-N -1 3 184.582 1.890 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)CC1CC1 307970671 572873415 /nfs/dbraw/zinc/87/34/15/572873415.db2.gz GWTMGUZDOKZLTO-SSDOTTSWSA-N -1 3 171.240 1.633 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)CC1CC1 307970672 572873515 /nfs/dbraw/zinc/87/35/15/572873515.db2.gz GWTMGUZDOKZLTO-ZETCQYMHSA-N -1 3 171.240 1.633 10 0 ADAEHM C=C([O-])C1N=C(CC(C)C)OC1=O 77270490 572874718 /nfs/dbraw/zinc/87/47/18/572874718.db2.gz QDLRGNISJAVQQG-UHFFFAOYSA-N -1 3 183.207 1.781 10 0 ADAEHM CC(=O)c1nc(CC(C)C)oc1[O-] 77270490 572874722 /nfs/dbraw/zinc/87/47/22/572874722.db2.gz QDLRGNISJAVQQG-UHFFFAOYSA-N -1 3 183.207 1.781 10 0 ADAEHM C=C([O-])C1N=C(C2CCC2)OC1=O 77268689 572875576 /nfs/dbraw/zinc/87/55/76/572875576.db2.gz UXHJPWFGGAGWRT-UHFFFAOYSA-N -1 3 181.191 1.850 10 0 ADAEHM CC(=O)c1nc(C2CCC2)oc1[O-] 77268689 572875578 /nfs/dbraw/zinc/87/55/78/572875578.db2.gz UXHJPWFGGAGWRT-UHFFFAOYSA-N -1 3 181.191 1.850 10 0 ADAEHM CCO[N-]C(=O)C1(CCF)CC1 308161522 572875807 /nfs/dbraw/zinc/87/58/07/572875807.db2.gz RPOSTLFKEBPXLD-UHFFFAOYSA-N -1 3 175.203 1.194 10 0 ADAEHM CCCOC([O-])=NOCC(C)C 307972630 572881106 /nfs/dbraw/zinc/88/11/06/572881106.db2.gz ZIGSXKJMQUWZJL-UHFFFAOYSA-N -1 3 175.228 1.710 10 0 ADAEHM CCCOC(=O)[N-]OCC(C)C 307972630 572881110 /nfs/dbraw/zinc/88/11/10/572881110.db2.gz ZIGSXKJMQUWZJL-UHFFFAOYSA-N -1 3 175.228 1.710 10 0 ADAEHM CO[N-]C(=O)CCSCC(C)C 307972018 572881345 /nfs/dbraw/zinc/88/13/45/572881345.db2.gz HTBWHRJVZYILAG-UHFFFAOYSA-N -1 3 191.296 1.443 10 0 ADAEHM Cc1cc(C(=O)[C@@H](C)N)c(C)cc1[O-] 214730034 572881956 /nfs/dbraw/zinc/88/19/56/572881956.db2.gz DCTLGKDVQZOELA-MRVPVSSYSA-N -1 3 193.246 1.539 10 0 ADAEHM Cc1cc(C(=O)[C@H](C)N)c(C)cc1[O-] 214730081 572882072 /nfs/dbraw/zinc/88/20/72/572882072.db2.gz DCTLGKDVQZOELA-QMMMGPOBSA-N -1 3 193.246 1.539 10 0 ADAEHM CNCC(=O)c1cc(C)c([O-])cc1C 214728851 572882135 /nfs/dbraw/zinc/88/21/35/572882135.db2.gz PJHFIJYCJCFWKE-UHFFFAOYSA-N -1 3 193.246 1.411 10 0 ADAEHM CC(=O)CSc1nc(C)ncc1[O-] 75600604 572884363 /nfs/dbraw/zinc/88/43/63/572884363.db2.gz JQXKJAHJUGQJJS-UHFFFAOYSA-N -1 3 198.247 1.172 10 0 ADAEHM CC(C)C[C@@H](N)c1cc(C(=O)[O-])n[nH]1 77598386 572884460 /nfs/dbraw/zinc/88/44/60/572884460.db2.gz ITZQSJWCYSYWNA-ZCFIWIBFSA-N -1 3 197.238 1.154 10 0 ADAEHM CC(C)C[C@H](N)c1cc(C(=O)[O-])n[nH]1 77598382 572884753 /nfs/dbraw/zinc/88/47/53/572884753.db2.gz ITZQSJWCYSYWNA-LURJTMIESA-N -1 3 197.238 1.154 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1nccs1 75615231 572888062 /nfs/dbraw/zinc/88/80/62/572888062.db2.gz PHDUEKGBAQKVKJ-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1nccs1 75615231 572888063 /nfs/dbraw/zinc/88/80/63/572888063.db2.gz PHDUEKGBAQKVKJ-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM Cc1ncsc1-c1nn[n-]c1C=O 75616771 572888128 /nfs/dbraw/zinc/88/81/28/572888128.db2.gz HBONXODMROGJOM-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cc(-c2n[n-]nc2C=O)co1 75616631 572885799 /nfs/dbraw/zinc/88/57/99/572885799.db2.gz VNSSEXBFNBZDJZ-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1cocc1-c1n[n-]nc1C=O 75616624 572885827 /nfs/dbraw/zinc/88/58/27/572885827.db2.gz GWIDQKZOHDRYTG-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1coc(C)c1 75615101 572886474 /nfs/dbraw/zinc/88/64/74/572886474.db2.gz QSTBQZMIHKKYPH-UHFFFAOYSA-N -1 3 191.190 1.576 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1cscn1 75615251 572886804 /nfs/dbraw/zinc/88/68/04/572886804.db2.gz AZSPWWNRCJHBJH-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1cscn1 75615251 572886809 /nfs/dbraw/zinc/88/68/09/572886809.db2.gz AZSPWWNRCJHBJH-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cscn1 75615251 572886815 /nfs/dbraw/zinc/88/68/15/572886815.db2.gz AZSPWWNRCJHBJH-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cc[nH]c1 75615448 572886906 /nfs/dbraw/zinc/88/69/06/572886906.db2.gz ZBDMYZWOEWAMAZ-UHFFFAOYSA-N -1 3 176.179 1.002 10 0 ADAEHM Cc1sncc1-c1n[n-]nc1C=O 75616876 572887246 /nfs/dbraw/zinc/88/72/46/572887246.db2.gz OUPFWKPANJYDPE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1ncc(-c2[n-]nnc2C=O)s1 75616765 572887270 /nfs/dbraw/zinc/88/72/70/572887270.db2.gz DQLUKIYVRQTBCS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1ncc(-c2nn[n-]c2C=O)s1 75616765 572887273 /nfs/dbraw/zinc/88/72/73/572887273.db2.gz DQLUKIYVRQTBCS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1ncc(-c2n[n-]nc2C=O)s1 75616765 572887275 /nfs/dbraw/zinc/88/72/75/572887275.db2.gz DQLUKIYVRQTBCS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1nscc1-c1n[n-]nc1C=O 75616878 572887317 /nfs/dbraw/zinc/88/73/17/572887317.db2.gz MVDBQJPDLQDDEH-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM CCO[N-]C(=O)/C=C/c1cscn1 308166791 572887350 /nfs/dbraw/zinc/88/73/50/572887350.db2.gz AAZCSENSKAWAIS-ONEGZZNKSA-N -1 3 198.247 1.224 10 0 ADAEHM Cc1nc(-c2[n-]nnc2C=O)cs1 75616774 572887445 /nfs/dbraw/zinc/88/74/45/572887445.db2.gz MFYZOKKVYLFNQE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1nc(-c2nn[n-]c2C=O)cs1 75616774 572887452 /nfs/dbraw/zinc/88/74/52/572887452.db2.gz MFYZOKKVYLFNQE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1nc(-c2n[n-]nc2C=O)cs1 75616774 572887455 /nfs/dbraw/zinc/88/74/55/572887455.db2.gz MFYZOKKVYLFNQE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1occc1-c1n[n-]nc1C=O 75616618 572887483 /nfs/dbraw/zinc/88/74/83/572887483.db2.gz XVQBWXQYSJHLLL-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1ccc(-c2n[n-]nc2C=O)s1 75616641 572887505 /nfs/dbraw/zinc/88/75/05/572887505.db2.gz VKXWQIXRSZCVPX-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1nccs1 75615231 572888066 /nfs/dbraw/zinc/88/80/66/572888066.db2.gz PHDUEKGBAQKVKJ-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM Cc1ncsc1-c1[n-]nnc1C=O 75616771 572888123 /nfs/dbraw/zinc/88/81/23/572888123.db2.gz HBONXODMROGJOM-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1ncsc1-c1n[n-]nc1C=O 75616771 572888132 /nfs/dbraw/zinc/88/81/32/572888132.db2.gz HBONXODMROGJOM-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1ccc(C)o1 75615092 572888246 /nfs/dbraw/zinc/88/82/46/572888246.db2.gz MXRMEQXEVRKZSM-UHFFFAOYSA-N -1 3 191.190 1.576 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1ccc(C)o1 75615092 572888249 /nfs/dbraw/zinc/88/82/49/572888249.db2.gz MXRMEQXEVRKZSM-UHFFFAOYSA-N -1 3 191.190 1.576 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1ccc(C)o1 75615092 572888252 /nfs/dbraw/zinc/88/82/52/572888252.db2.gz MXRMEQXEVRKZSM-UHFFFAOYSA-N -1 3 191.190 1.576 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1ccoc1C 75615098 572888392 /nfs/dbraw/zinc/88/83/92/572888392.db2.gz GQUVGQIELAEESH-UHFFFAOYSA-N -1 3 191.190 1.576 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cnsc1 75615341 572888401 /nfs/dbraw/zinc/88/84/01/572888401.db2.gz BUXJAQWYEHOVNK-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC[C@H](C)OC(=O)c1cn[n-]c1 307969910 572888403 /nfs/dbraw/zinc/88/84/03/572888403.db2.gz GGJXBNFXMRNEDM-LURJTMIESA-N -1 3 168.196 1.365 10 0 ADAEHM Cc1cc(-c2[n-]nnc2C=O)sn1 75616882 572888604 /nfs/dbraw/zinc/88/86/04/572888604.db2.gz PDXVNLINBKTDLC-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cc(-c2nn[n-]c2C=O)sn1 75616882 572888608 /nfs/dbraw/zinc/88/86/08/572888608.db2.gz PDXVNLINBKTDLC-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cc(-c2n[n-]nc2C=O)sn1 75616882 572888615 /nfs/dbraw/zinc/88/86/15/572888615.db2.gz PDXVNLINBKTDLC-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cncs1 75615243 572889166 /nfs/dbraw/zinc/88/91/66/572889166.db2.gz HARIMXLWBAKYGD-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1c[nH]c(C)c1 75615453 572888949 /nfs/dbraw/zinc/88/89/49/572888949.db2.gz VUXOUJXYZYLDCR-UHFFFAOYSA-N -1 3 190.206 1.311 10 0 ADAEHM CC[C@@H](C)OC(=O)c1cn[n-]c1 307969911 572889238 /nfs/dbraw/zinc/88/92/38/572889238.db2.gz GGJXBNFXMRNEDM-ZCFIWIBFSA-N -1 3 168.196 1.365 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1ccns1 75615347 572889196 /nfs/dbraw/zinc/88/91/96/572889196.db2.gz WTPFBPSUNVEWLX-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM Cc1cc(-c2n[n-]nc2C=O)c(C)o1 75616637 572889089 /nfs/dbraw/zinc/88/90/89/572889089.db2.gz NVUZARBFMLIKOW-UHFFFAOYSA-N -1 3 191.190 1.494 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1cncs1 75615243 572889160 /nfs/dbraw/zinc/88/91/60/572889160.db2.gz HARIMXLWBAKYGD-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1cncs1 75615243 572889163 /nfs/dbraw/zinc/88/91/63/572889163.db2.gz HARIMXLWBAKYGD-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1ccns1 75615347 572889190 /nfs/dbraw/zinc/88/91/90/572889190.db2.gz WTPFBPSUNVEWLX-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1ccns1 75615347 572889213 /nfs/dbraw/zinc/88/92/13/572889213.db2.gz WTPFBPSUNVEWLX-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM Cc1csc(-c2[n-]nnc2C=O)n1 75616752 572889492 /nfs/dbraw/zinc/88/94/92/572889492.db2.gz NTYSXJVHSSNVKJ-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1csc(-c2nn[n-]c2C=O)n1 75616752 572889497 /nfs/dbraw/zinc/88/94/97/572889497.db2.gz NTYSXJVHSSNVKJ-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1csc(-c2n[n-]nc2C=O)n1 75616752 572889502 /nfs/dbraw/zinc/88/95/02/572889502.db2.gz NTYSXJVHSSNVKJ-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1csc(-c2n[n-]nc2C=O)c1 75616644 572889860 /nfs/dbraw/zinc/88/98/60/572889860.db2.gz GGQFCUANSSDNIU-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1ccsc1 75615117 572889723 /nfs/dbraw/zinc/88/97/23/572889723.db2.gz ZJUFJKSWIBGLJQ-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM Cc1cnc(-c2[n-]nnc2C=O)s1 75616748 572889729 /nfs/dbraw/zinc/88/97/29/572889729.db2.gz FPEJYYRHKDBOFI-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cnc(-c2nn[n-]c2C=O)s1 75616748 572889734 /nfs/dbraw/zinc/88/97/34/572889734.db2.gz FPEJYYRHKDBOFI-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cnc(-c2n[n-]nc2C=O)s1 75616748 572889737 /nfs/dbraw/zinc/88/97/37/572889737.db2.gz FPEJYYRHKDBOFI-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cnsc1-c1[n-]nnc1C=O 75616885 572889755 /nfs/dbraw/zinc/88/97/55/572889755.db2.gz CQKOHCXTUVABCS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cnsc1-c1nn[n-]c1C=O 75616885 572889759 /nfs/dbraw/zinc/88/97/59/572889759.db2.gz CQKOHCXTUVABCS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1cnsc1-c1n[n-]nc1C=O 75616885 572889763 /nfs/dbraw/zinc/88/97/63/572889763.db2.gz CQKOHCXTUVABCS-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1csnc1-c1[n-]nnc1C=O 75616865 572889913 /nfs/dbraw/zinc/88/99/13/572889913.db2.gz PFYIJGDNOKPZOE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1csnc1-c1nn[n-]c1C=O 75616865 572889917 /nfs/dbraw/zinc/88/99/17/572889917.db2.gz PFYIJGDNOKPZOE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM Cc1csnc1-c1n[n-]nc1C=O 75616865 572889922 /nfs/dbraw/zinc/88/99/22/572889922.db2.gz PFYIJGDNOKPZOE-UHFFFAOYSA-N -1 3 194.219 1.049 10 0 ADAEHM CC(=O)c1nnc(-c2ccccc2)[n-]1 75588076 572890300 /nfs/dbraw/zinc/89/03/00/572890300.db2.gz DOMXETQTJPCYAE-UHFFFAOYSA-N -1 3 187.202 1.674 10 0 ADAEHM CC(=O)c1nc(-c2ccccc2)n[n-]1 75588076 572890303 /nfs/dbraw/zinc/89/03/03/572890303.db2.gz DOMXETQTJPCYAE-UHFFFAOYSA-N -1 3 187.202 1.674 10 0 ADAEHM CC(=O)c1n[n-]c(-c2ccccc2)n1 75588076 572890307 /nfs/dbraw/zinc/89/03/07/572890307.db2.gz DOMXETQTJPCYAE-UHFFFAOYSA-N -1 3 187.202 1.674 10 0 ADAEHM CC(=O)c1nnc(-c2cccs2)[n-]1 75588167 572890353 /nfs/dbraw/zinc/89/03/53/572890353.db2.gz HZHCICRAEWRFGK-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CC(=O)c1nc(-c2cccs2)n[n-]1 75588167 572890355 /nfs/dbraw/zinc/89/03/55/572890355.db2.gz HZHCICRAEWRFGK-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CC(=O)c1n[n-]c(-c2cccs2)n1 75588167 572890359 /nfs/dbraw/zinc/89/03/59/572890359.db2.gz HZHCICRAEWRFGK-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CC(=O)c1nnc(-c2cccnc2)[n-]1 75588168 572890946 /nfs/dbraw/zinc/89/09/46/572890946.db2.gz IDMYKJWGSBCOEY-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1nc(-c2cccnc2)n[n-]1 75588168 572890950 /nfs/dbraw/zinc/89/09/50/572890950.db2.gz IDMYKJWGSBCOEY-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1n[n-]c(-c2cccnc2)n1 75588168 572890953 /nfs/dbraw/zinc/89/09/53/572890953.db2.gz IDMYKJWGSBCOEY-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1nnc(-c2ccncc2)[n-]1 75588172 572891082 /nfs/dbraw/zinc/89/10/82/572891082.db2.gz XJQJWBJKVGEKNS-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1nc(-c2ccncc2)n[n-]1 75588172 572891084 /nfs/dbraw/zinc/89/10/84/572891084.db2.gz XJQJWBJKVGEKNS-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1n[n-]c(-c2ccncc2)n1 75588172 572891086 /nfs/dbraw/zinc/89/10/86/572891086.db2.gz XJQJWBJKVGEKNS-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CCc1oc(C(=O)[O-])c2c1[C@@H](N)CC2 75589385 572891170 /nfs/dbraw/zinc/89/11/70/572891170.db2.gz FTUOSHODOSXSPI-LURJTMIESA-N -1 3 195.218 1.486 10 0 ADAEHM CCc1oc(C(=O)[O-])c2c1[C@H](N)CC2 75589386 572891208 /nfs/dbraw/zinc/89/12/08/572891208.db2.gz FTUOSHODOSXSPI-ZCFIWIBFSA-N -1 3 195.218 1.486 10 0 ADAEHM O=C1[N-]c2occc2OC12CCCC2 75595283 572891241 /nfs/dbraw/zinc/89/12/41/572891241.db2.gz RFGUUIGCCYCTTQ-UHFFFAOYSA-N -1 3 193.202 1.923 10 0 ADAEHM CC(C)[C@@H]1Oc2ccoc2[N-]C1=O 75595231 572891902 /nfs/dbraw/zinc/89/19/02/572891902.db2.gz PGNYFZCDJGOQIT-ZETCQYMHSA-N -1 3 181.191 1.635 10 0 ADAEHM CC(=O)c1nnc(-c2ccccn2)[n-]1 75588170 572893112 /nfs/dbraw/zinc/89/31/12/572893112.db2.gz VFHSGROEIVELTR-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1nc(-c2ccccn2)n[n-]1 75588170 572893115 /nfs/dbraw/zinc/89/31/15/572893115.db2.gz VFHSGROEIVELTR-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(C)(C)OC(=O)c1ncc[n-]1 118879914 572894005 /nfs/dbraw/zinc/89/40/05/572894005.db2.gz KRWRTUKGTQPOCZ-UHFFFAOYSA-N -1 3 168.196 1.365 10 0 ADAEHM Cc1cc(C(=O)CCCO)ccc1[O-] 75596152 572894115 /nfs/dbraw/zinc/89/41/15/572894115.db2.gz FMHGCXWHWKOZPE-UHFFFAOYSA-N -1 3 194.230 1.656 10 0 ADAEHM CCCN(C(N)=O)c1ccccc1[O-] 75596552 572894339 /nfs/dbraw/zinc/89/43/39/572894339.db2.gz JVDUOGWSHDXZQZ-UHFFFAOYSA-N -1 3 194.234 1.687 10 0 ADAEHM C=C/C(C)=C/CC(=O)[N-]OCC 308164159 572894498 /nfs/dbraw/zinc/89/44/98/572894498.db2.gz TWJAJZBYMLBYFW-SOFGYWHQSA-N -1 3 169.224 1.577 10 0 ADAEHM CCc1c(C(=O)[O-])oc2c1[C@H](N)CC2 75656635 572894563 /nfs/dbraw/zinc/89/45/63/572894563.db2.gz UCSBDWUYMVNRJF-ZCFIWIBFSA-N -1 3 195.218 1.486 10 0 ADAEHM Cc1c(C(=O)[O-])oc2c1[C@@H](N)CC2 75656669 572894644 /nfs/dbraw/zinc/89/46/44/572894644.db2.gz FFMCNFXMCZEWPM-YFKPBYRVSA-N -1 3 181.191 1.232 10 0 ADAEHM CCCCc1nc(CO)cc(=O)[n-]1 308163151 572894807 /nfs/dbraw/zinc/89/48/07/572894807.db2.gz XYAIYFNHUPJTGA-UHFFFAOYSA-N -1 3 182.223 1.017 10 0 ADAEHM CCc1c(C(=O)[O-])oc2c1[C@@H](N)CC2 75656632 572896163 /nfs/dbraw/zinc/89/61/63/572896163.db2.gz UCSBDWUYMVNRJF-LURJTMIESA-N -1 3 195.218 1.486 10 0 ADAEHM Cc1cc([C@H](N)C(=O)[O-])c(C)cc1O 214793869 572897521 /nfs/dbraw/zinc/89/75/21/572897521.db2.gz KFDQFHVSWAQONB-VIFPVBQESA-N -1 3 195.218 1.093 10 0 ADAEHM CC(C)n1nc2cccc([O-])c2c1N 250472802 572897572 /nfs/dbraw/zinc/89/75/72/572897572.db2.gz SGYVEKMPJYHUST-UHFFFAOYSA-N -1 3 191.234 1.905 10 0 ADAEHM Cc1oc2c(c1[C@H](N)C(=O)[O-])CCC2 214793987 572897600 /nfs/dbraw/zinc/89/76/00/572897600.db2.gz XKHJOAQXDUDTAW-VIFPVBQESA-N -1 3 195.218 1.161 10 0 ADAEHM CCn1nc2cccc([O-])c2c1CO 250453370 572897953 /nfs/dbraw/zinc/89/79/53/572897953.db2.gz NMRSVYAGYIVKSO-UHFFFAOYSA-N -1 3 192.218 1.254 10 0 ADAEHM Cc1oc2c(c1[C@@H](N)C(=O)[O-])CCC2 214794039 572898024 /nfs/dbraw/zinc/89/80/24/572898024.db2.gz XKHJOAQXDUDTAW-SECBINFHSA-N -1 3 195.218 1.161 10 0 ADAEHM Cc1cc([C@@H](N)C(=O)[O-])c(C)cc1O 214793918 572898727 /nfs/dbraw/zinc/89/87/27/572898727.db2.gz KFDQFHVSWAQONB-SECBINFHSA-N -1 3 195.218 1.093 10 0 ADAEHM CCO[N-]C(=O)C[C@H](C)C(C)C 308173224 572900263 /nfs/dbraw/zinc/90/02/63/572900263.db2.gz XTPLHLJZTFGSQY-QMMMGPOBSA-N -1 3 173.256 1.736 10 0 ADAEHM O=C(C=C([O-])C1CCC1)C(F)F 379114780 572902651 /nfs/dbraw/zinc/90/26/51/572902651.db2.gz XDISSBMLOPWFMF-UHFFFAOYSA-N -1 3 176.162 1.580 10 0 ADAEHM N=C(N)c1nc2c([O-])cccc2s1 75847772 572904779 /nfs/dbraw/zinc/90/47/79/572904779.db2.gz HMVQCQCCUDNRRY-UHFFFAOYSA-N -1 3 193.231 1.286 10 0 ADAEHM CC(F)(F)C([O-])=CC(=O)C1CCC1 379038075 572905644 /nfs/dbraw/zinc/90/56/44/572905644.db2.gz HXAQCEOAOHIPEO-UHFFFAOYSA-N -1 3 190.189 1.970 10 0 ADAEHM CC(F)(F)C(=O)C=C([O-])C1CCC1 379038075 572905646 /nfs/dbraw/zinc/90/56/46/572905646.db2.gz HXAQCEOAOHIPEO-UHFFFAOYSA-N -1 3 190.189 1.970 10 0 ADAEHM CC(C)CCNc1nccc(=O)[n-]1 57330936 572905758 /nfs/dbraw/zinc/90/57/58/572905758.db2.gz JXDGOPQXJBDJCG-UHFFFAOYSA-N -1 3 181.239 1.228 10 0 ADAEHM CC(C)(O)c1ccc([O-])cc1F 75845886 572906139 /nfs/dbraw/zinc/90/61/39/572906139.db2.gz UDAOFKOQBFFXPN-UHFFFAOYSA-N -1 3 170.183 1.759 10 0 ADAEHM [O-]c1cccc2sc(CO)nc12 75844637 572907040 /nfs/dbraw/zinc/90/70/40/572907040.db2.gz IOMOWSGTLRXSSS-UHFFFAOYSA-N -1 3 181.216 1.494 10 0 ADAEHM CCOC(=O)C(=O)c1cccc([O-])c1 75865312 572909990 /nfs/dbraw/zinc/90/99/90/572909990.db2.gz IEDRPVRRHCUNEN-UHFFFAOYSA-N -1 3 194.186 1.138 10 0 ADAEHM C[N-]C(=S)c1cccnc1F 75856606 572910712 /nfs/dbraw/zinc/91/07/12/572910712.db2.gz PBXZNKXMYKVDEV-UHFFFAOYSA-N -1 3 170.212 1.116 10 0 ADAEHM CNC(=S)c1ccc([O-])cc1F 75856525 572911387 /nfs/dbraw/zinc/91/13/87/572911387.db2.gz KURARMUVWKHRNF-UHFFFAOYSA-N -1 3 185.223 1.426 10 0 ADAEHM C[N-]C(=S)c1c(F)cccc1F 75856469 572911425 /nfs/dbraw/zinc/91/14/25/572911425.db2.gz WYEBVZMDHJJTIF-UHFFFAOYSA-N -1 3 187.214 1.860 10 0 ADAEHM CNC(=S)c1cc(F)ccc1[O-] 75856524 572911584 /nfs/dbraw/zinc/91/15/84/572911584.db2.gz XFNKGIFUGRPNNZ-UHFFFAOYSA-N -1 3 185.223 1.426 10 0 ADAEHM N[C@H]1CC(=O)c2c1cc(F)c(F)c2[O-] 713775120 572912023 /nfs/dbraw/zinc/91/20/23/572912023.db2.gz OTXKBBKMDOZMPI-YFKPBYRVSA-N -1 3 199.156 1.257 10 0 ADAEHM CCCCc1nc(COC)cc(=O)[n-]1 86314915 572912639 /nfs/dbraw/zinc/91/26/39/572912639.db2.gz VUKYEHVBVGLBET-UHFFFAOYSA-N -1 3 196.250 1.259 10 0 ADAEHM N[C@@H]1CC(=O)c2c1cc(F)c(F)c2[O-] 713775117 572913501 /nfs/dbraw/zinc/91/35/01/572913501.db2.gz OTXKBBKMDOZMPI-RXMQYKEDSA-N -1 3 199.156 1.257 10 0 ADAEHM CCCCc1nc(N)c(CC)c(=O)[n-]1 86314820 572912791 /nfs/dbraw/zinc/91/27/91/572912791.db2.gz UKNVBVUGVUUIAP-UHFFFAOYSA-N -1 3 195.266 1.257 10 0 ADAEHM CN(C)c1c(F)ccc2[nH][n-]c(=O)c12 75883944 572912815 /nfs/dbraw/zinc/91/28/15/572912815.db2.gz UUBYWXLGLGNFKI-UHFFFAOYSA-N -1 3 195.197 1.474 10 0 ADAEHM N[C@@H]1CC(=O)c2c(F)cc([O-])cc21 713775043 572912884 /nfs/dbraw/zinc/91/28/84/572912884.db2.gz OKRGSHTULDMCQY-SSDOTTSWSA-N -1 3 181.166 1.118 10 0 ADAEHM CCc1c(C(F)(F)F)nc[n-]c1=O 75891079 572913360 /nfs/dbraw/zinc/91/33/60/572913360.db2.gz GFBMGDGKPRVGIK-UHFFFAOYSA-N -1 3 192.140 1.763 10 0 ADAEHM N[C@H]1CC(=O)c2c(F)cc([O-])cc21 713775049 572913622 /nfs/dbraw/zinc/91/36/22/572913622.db2.gz OKRGSHTULDMCQY-ZETCQYMHSA-N -1 3 181.166 1.118 10 0 ADAEHM CCCCc1nc(C2CC2)cc(=O)[n-]1 86314918 572913920 /nfs/dbraw/zinc/91/39/20/572913920.db2.gz LHCHEHICHKOXCO-UHFFFAOYSA-N -1 3 192.262 1.990 10 0 ADAEHM N[C@@H]1CC(=O)c2c([O-])cc(F)cc21 713775584 572914636 /nfs/dbraw/zinc/91/46/36/572914636.db2.gz RGHFZJOUPFCBBE-ZCFIWIBFSA-N -1 3 181.166 1.118 10 0 ADAEHM Cc1cc([C@](C)(N)C(=O)[O-])ccc1F 57490209 572914961 /nfs/dbraw/zinc/91/49/61/572914961.db2.gz BICBMFRDGBMQLH-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM CCCCc1nc(CC)c(C)c(=O)[n-]1 86314919 572915025 /nfs/dbraw/zinc/91/50/25/572915025.db2.gz CCWDWPVSSKHLSL-UHFFFAOYSA-N -1 3 194.278 1.983 10 0 ADAEHM N[C@H]1CC(=O)c2c([O-])cc(F)cc21 713775581 572915147 /nfs/dbraw/zinc/91/51/47/572915147.db2.gz RGHFZJOUPFCBBE-LURJTMIESA-N -1 3 181.166 1.118 10 0 ADAEHM Cc1cc([C@@](C)(N)C(=O)[O-])ccc1F 57490212 572915041 /nfs/dbraw/zinc/91/50/41/572915041.db2.gz BICBMFRDGBMQLH-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM CCCN(c1nc([O-])cs1)C1CC1 308189999 572919094 /nfs/dbraw/zinc/91/90/94/572919094.db2.gz MXIFJFQTFQRGOB-UHFFFAOYSA-N -1 3 198.291 1.490 10 0 ADAEHM C/C=C1\CN(C)CC[C@@H]1[C@@H](C)C(=O)[O-] 238076285 572921488 /nfs/dbraw/zinc/92/14/88/572921488.db2.gz OOJKAFUFTNMNGT-CXQRGBQISA-N -1 3 197.278 1.605 10 0 ADAEHM CNCc1cccc(C(=O)[O-])c1F 75927768 572921546 /nfs/dbraw/zinc/92/15/46/572921546.db2.gz LZNSJHJMLXIFRH-UHFFFAOYSA-N -1 3 183.182 1.243 10 0 ADAEHM O=Cc1cc2c(cc1[O-])OCS2 196701881 572921584 /nfs/dbraw/zinc/92/15/84/572921584.db2.gz SMXOQTGQOXHLPQ-UHFFFAOYSA-N -1 3 182.200 1.647 10 0 ADAEHM C[C@H]1C/C(=C/C(=O)[O-])CCN1C 83963265 572921908 /nfs/dbraw/zinc/92/19/08/572921908.db2.gz WAUPOROOQIKMIU-DGUDBNDOSA-N -1 3 169.224 1.112 10 0 ADAEHM C[C@@H]1C/C(=C/C(=O)[O-])CCN1C 83963264 572922374 /nfs/dbraw/zinc/92/23/74/572922374.db2.gz WAUPOROOQIKMIU-UQBZRGDZSA-N -1 3 169.224 1.112 10 0 ADAEHM C/C=C1\CN(C)CC[C@H]1[C@@H](C)C(=O)[O-] 238076319 572922662 /nfs/dbraw/zinc/92/26/62/572922662.db2.gz OOJKAFUFTNMNGT-OCSORSNKSA-N -1 3 197.278 1.605 10 0 ADAEHM NCc1c(F)ccc([O-])c1Cl 75926756 572922698 /nfs/dbraw/zinc/92/26/98/572922698.db2.gz XCXMCTGFXWZBNY-UHFFFAOYSA-N -1 3 175.590 1.643 10 0 ADAEHM CC1=C([O-])[C@H](C(C)(C)C)CC1=O 196707127 572922976 /nfs/dbraw/zinc/92/29/76/572922976.db2.gz RGSPMMIZXIYMGO-NKWVEPMBSA-N -1 3 168.236 1.827 10 0 ADAEHM CC1=C([O-])[C@H](C(C)(C)C)CC1=O 196707120 572923024 /nfs/dbraw/zinc/92/30/24/572923024.db2.gz RGSPMMIZXIYMGO-RNFRBKRXSA-N -1 3 168.236 1.827 10 0 ADAEHM CC1=C([O-])[C@@H](C(C)(C)C)CC1=O 196707102 572923058 /nfs/dbraw/zinc/92/30/58/572923058.db2.gz RGSPMMIZXIYMGO-RQJHMYQMSA-N -1 3 168.236 1.827 10 0 ADAEHM CC1=C([O-])[C@@H](C(C)(C)C)CC1=O 196707108 572923066 /nfs/dbraw/zinc/92/30/66/572923066.db2.gz RGSPMMIZXIYMGO-BQBZGAKWSA-N -1 3 168.236 1.827 10 0 ADAEHM [O-]c1cc(F)cc(CNCCF)c1 308203091 572930547 /nfs/dbraw/zinc/93/05/47/572930547.db2.gz WQDMTMQNJQSXED-UHFFFAOYSA-N -1 3 187.189 1.590 10 0 ADAEHM NC(=O)/C=C\c1c([O-])ccc(F)c1F 211665233 572931270 /nfs/dbraw/zinc/93/12/70/572931270.db2.gz HEEGFCWEUNZOQB-RJRFIUFISA-N -1 3 199.156 1.169 10 0 ADAEHM CC(C)(C)C(=N)CC(=O)C(=O)[O-] 238119709 572935261 /nfs/dbraw/zinc/93/52/61/572935261.db2.gz TWTPHZJULARILH-UHFFFAOYSA-N -1 3 171.196 1.096 10 0 ADAEHM Cc1ccc2c(c1)C(=O)[N-]C(=O)CC2 57936628 572937549 /nfs/dbraw/zinc/93/75/49/572937549.db2.gz PZEATESKIGYUKZ-UHFFFAOYSA-N -1 3 189.214 1.198 10 0 ADAEHM C[C@H]1C[C@H]1CC(=O)[N-]OC(C)(C)C 308207093 572938008 /nfs/dbraw/zinc/93/80/08/572938008.db2.gz ZSYAAPWUORSVTG-YUMQZZPRSA-N -1 3 185.267 1.879 10 0 ADAEHM C[C@H](C(=O)[O-])[C@H](N)c1ccco1 57935634 572938134 /nfs/dbraw/zinc/93/81/34/572938134.db2.gz ZGYFWWUATFWCSN-FSPLSTOPSA-N -1 3 169.180 1.000 10 0 ADAEHM C[C@@H]1C[C@H]1CC(=O)[N-]OC(C)(C)C 308207091 572938189 /nfs/dbraw/zinc/93/81/89/572938189.db2.gz ZSYAAPWUORSVTG-SFYZADRCSA-N -1 3 185.267 1.879 10 0 ADAEHM C[C@H](C(=O)[O-])[C@@H](N)c1ccco1 57935638 572938462 /nfs/dbraw/zinc/93/84/62/572938462.db2.gz ZGYFWWUATFWCSN-CAHLUQPWSA-N -1 3 169.180 1.000 10 0 ADAEHM O=C([O-])[C@H](CC1CC1)N1CC=CC1 308197519 572939656 /nfs/dbraw/zinc/93/96/56/572939656.db2.gz SDOQPEOTFPAEDO-VIFPVBQESA-N -1 3 181.235 1.112 10 0 ADAEHM CC(C)=CC/C=C(/N)C(=O)[O-] 238139126 572941328 /nfs/dbraw/zinc/94/13/28/572941328.db2.gz RVELSEHMMPIVJF-FNORWQNLSA-N -1 3 155.197 1.270 10 0 ADAEHM CC(C)CCCOC([O-])=NC(N)=O 238144006 572952403 /nfs/dbraw/zinc/95/24/03/572952403.db2.gz UNMGJBOGCRAMHG-UHFFFAOYSA-N -1 3 188.227 1.228 10 0 ADAEHM CC(C)CCCOC(=O)N=C(N)[O-] 238144006 572952404 /nfs/dbraw/zinc/95/24/04/572952404.db2.gz UNMGJBOGCRAMHG-UHFFFAOYSA-N -1 3 188.227 1.228 10 0 ADAEHM CC(C)CCCOC(=O)[N-]C(N)=O 238144006 572952407 /nfs/dbraw/zinc/95/24/07/572952407.db2.gz UNMGJBOGCRAMHG-UHFFFAOYSA-N -1 3 188.227 1.228 10 0 ADAEHM CC(C)COC(=O)c1ccc(F)[n-]1 238148843 572953603 /nfs/dbraw/zinc/95/36/03/572953603.db2.gz IJZDSZPYSJTLPT-UHFFFAOYSA-N -1 3 185.198 1.967 10 0 ADAEHM C/C=C/CN1CCC(CC(=O)[O-])CC1 86573390 572957758 /nfs/dbraw/zinc/95/77/58/572957758.db2.gz ROMOKPDVQIQONE-NSCUHMNNSA-N -1 3 197.278 1.749 10 0 ADAEHM N[C@H]1CC(=O)c2cc(F)c([O-])cc21 713797860 572959041 /nfs/dbraw/zinc/95/90/41/572959041.db2.gz VVIQGQSLDQGTMK-ZETCQYMHSA-N -1 3 181.166 1.118 10 0 ADAEHM CCCc1ccc([C@@H](N)C(=O)[O-])s1 713797649 572959184 /nfs/dbraw/zinc/95/91/84/572959184.db2.gz UGTPCMOWECKAHZ-MRVPVSSYSA-N -1 3 199.275 1.785 10 0 ADAEHM N[C@@H]1CC(=O)c2cc(F)c([O-])cc21 713797853 572959950 /nfs/dbraw/zinc/95/99/50/572959950.db2.gz VVIQGQSLDQGTMK-SSDOTTSWSA-N -1 3 181.166 1.118 10 0 ADAEHM CCCc1ccc([C@H](N)C(=O)[O-])s1 713797652 572959956 /nfs/dbraw/zinc/95/99/56/572959956.db2.gz UGTPCMOWECKAHZ-QMMMGPOBSA-N -1 3 199.275 1.785 10 0 ADAEHM COc1[n-]c(=O)[nH]c2cc(=O)ccc1-2 250286130 572960729 /nfs/dbraw/zinc/96/07/29/572960729.db2.gz SXRRMJVETOJYTF-UHFFFAOYSA-N -1 3 192.174 1.050 10 0 ADAEHM CC(C)(Cn1cccc1CN)C(=O)[O-] 86595444 572960808 /nfs/dbraw/zinc/96/08/08/572960808.db2.gz NXWCCZUJTWSOHF-UHFFFAOYSA-N -1 3 196.250 1.058 10 0 ADAEHM C[C@@H]1Cc2cc(F)c([O-])cc2N1 713799730 572964145 /nfs/dbraw/zinc/96/41/45/572964145.db2.gz LMHVTMYBBYEMKG-RXMQYKEDSA-N -1 3 167.183 1.888 10 0 ADAEHM C[C@H]1Cc2cc(F)c([O-])cc2N1 713799731 572964222 /nfs/dbraw/zinc/96/42/22/572964222.db2.gz LMHVTMYBBYEMKG-YFKPBYRVSA-N -1 3 167.183 1.888 10 0 ADAEHM C[C@H]1Cc2c(ccc(F)c2[O-])N1 713798752 572964538 /nfs/dbraw/zinc/96/45/38/572964538.db2.gz GYWVSCNQZHMVAR-YFKPBYRVSA-N -1 3 167.183 1.888 10 0 ADAEHM C[C@@H]1Cc2c(ccc(F)c2[O-])N1 713798750 572964556 /nfs/dbraw/zinc/96/45/56/572964556.db2.gz GYWVSCNQZHMVAR-RXMQYKEDSA-N -1 3 167.183 1.888 10 0 ADAEHM CCN(CC)c1ccncc1C(=O)[O-] 88109614 572966017 /nfs/dbraw/zinc/96/60/17/572966017.db2.gz WHUZEIJXIMFPGJ-UHFFFAOYSA-N -1 3 194.234 1.626 10 0 ADAEHM CN(C)CCSC(C)(C)C(=O)[O-] 88108106 572966537 /nfs/dbraw/zinc/96/65/37/572966537.db2.gz ULIUEWYZLGBDGR-UHFFFAOYSA-N -1 3 191.296 1.144 10 0 ADAEHM O=C([O-])CCCCN1CC2(CC2)C1 86685187 572970641 /nfs/dbraw/zinc/97/06/41/572970641.db2.gz NNAWRAYAOWQCSS-UHFFFAOYSA-N -1 3 183.251 1.337 10 0 ADAEHM CC(=O)c1ccc(C(=O)OC(C)C)[n-]1 238183553 572971199 /nfs/dbraw/zinc/97/11/99/572971199.db2.gz AAIJVXWGYQWALD-UHFFFAOYSA-N -1 3 195.218 1.783 10 0 ADAEHM CCCC(CCC)[C@H]1NC(=O)[N-]C1=O 238183293 572971499 /nfs/dbraw/zinc/97/14/99/572971499.db2.gz HBTUXPBLNFDMQR-MRVPVSSYSA-N -1 3 198.266 1.411 10 0 ADAEHM CCNc1cccc2c1C(=O)[N-]C2=O 199879187 572972006 /nfs/dbraw/zinc/97/20/06/572972006.db2.gz PVXNLZQUXQABGS-UHFFFAOYSA-N -1 3 190.202 1.002 10 0 ADAEHM O=C([O-])CCCCN1CC2(CCC2)C1 86685164 572972123 /nfs/dbraw/zinc/97/21/23/572972123.db2.gz FGNJQAABFVBAQL-UHFFFAOYSA-N -1 3 197.278 1.727 10 0 ADAEHM O=C([O-])CCCCCN1CC2(CC2)C1 86683285 572973575 /nfs/dbraw/zinc/97/35/75/572973575.db2.gz WVAIOFXPYJFDBU-UHFFFAOYSA-N -1 3 197.278 1.727 10 0 ADAEHM [O-]/N=c1\ssc2c1CCC2 59520040 572974590 /nfs/dbraw/zinc/97/45/90/572974590.db2.gz MSSBBXAJFYHGFW-SREVYHEPSA-N -1 3 173.262 1.588 10 0 ADAEHM CCc1cc(=O)[n-]c([C@H](C)CC)n1 51690365 572976004 /nfs/dbraw/zinc/97/60/04/572976004.db2.gz BKMKXQUSYGYRRX-SSDOTTSWSA-N -1 3 180.251 1.846 10 0 ADAEHM CC[C@H](C)c1nc2c(c(=O)[n-]1)CCC2 51690389 572976553 /nfs/dbraw/zinc/97/65/53/572976553.db2.gz ZAASCGFXFRZRHM-ZETCQYMHSA-N -1 3 192.262 1.772 10 0 ADAEHM CCc1cc(=O)[n-]c([C@@H](C)CC)n1 51690364 572976661 /nfs/dbraw/zinc/97/66/61/572976661.db2.gz BKMKXQUSYGYRRX-ZETCQYMHSA-N -1 3 180.251 1.846 10 0 ADAEHM CC[C@@H](C)c1nc2c(c(=O)[n-]1)CCC2 51690388 572976677 /nfs/dbraw/zinc/97/66/77/572976677.db2.gz ZAASCGFXFRZRHM-SSDOTTSWSA-N -1 3 192.262 1.772 10 0 ADAEHM Nc1cnc(C2CCCCC2)[n-]c1=O 59621153 572976929 /nfs/dbraw/zinc/97/69/29/572976929.db2.gz SSERMSMSPLFTNX-UHFFFAOYSA-N -1 3 193.250 1.400 10 0 ADAEHM CCCCCCOC([O-])=NC(N)=O 238191253 572977985 /nfs/dbraw/zinc/97/79/85/572977985.db2.gz PGZBZJVWBRDNTB-UHFFFAOYSA-N -1 3 188.227 1.372 10 0 ADAEHM CCCCCCOC(=O)N=C(N)[O-] 238191253 572977988 /nfs/dbraw/zinc/97/79/88/572977988.db2.gz PGZBZJVWBRDNTB-UHFFFAOYSA-N -1 3 188.227 1.372 10 0 ADAEHM CCCCCCOC(=O)[N-]C(N)=O 238191253 572977991 /nfs/dbraw/zinc/97/79/91/572977991.db2.gz PGZBZJVWBRDNTB-UHFFFAOYSA-N -1 3 188.227 1.372 10 0 ADAEHM CCCCC[C@H](C)N1CC(=O)[N-]C1=O 86787539 572980141 /nfs/dbraw/zinc/98/01/41/572980141.db2.gz FAQHTDKHMXCSNH-QMMMGPOBSA-N -1 3 198.266 1.507 10 0 ADAEHM CC[C@H](CC1CC1)N1CC(=O)[N-]C1=O 86786401 572980209 /nfs/dbraw/zinc/98/02/09/572980209.db2.gz NSMVBJYVSATSCO-MRVPVSSYSA-N -1 3 196.250 1.117 10 0 ADAEHM CC[C@@H](C)C[C@H](C)N1CC(=O)[N-]C1=O 86786543 572980217 /nfs/dbraw/zinc/98/02/17/572980217.db2.gz FVWHDMNVOWLFPO-SFYZADRCSA-N -1 3 198.266 1.363 10 0 ADAEHM CCC(CC)(CC)N1CC(=O)[N-]C1=O 86787741 572980294 /nfs/dbraw/zinc/98/02/94/572980294.db2.gz XAZSJXMVRVJVQB-UHFFFAOYSA-N -1 3 198.266 1.507 10 0 ADAEHM CCCC[C@@H](C)N1CC(=O)[N-]C1=O 86785863 572980350 /nfs/dbraw/zinc/98/03/50/572980350.db2.gz JVAWUTGPWNQROJ-SSDOTTSWSA-N -1 3 184.239 1.117 10 0 ADAEHM CCC(CC)[C@H](C)N1CC(=O)[N-]C1=O 86786135 572980580 /nfs/dbraw/zinc/98/05/80/572980580.db2.gz OITFWQWEDMKWDT-ZETCQYMHSA-N -1 3 198.266 1.363 10 0 ADAEHM CC[C@@H](C)C[C@@H](C)N1CC(=O)[N-]C1=O 86786535 572980632 /nfs/dbraw/zinc/98/06/32/572980632.db2.gz FVWHDMNVOWLFPO-HTQZYQBOSA-N -1 3 198.266 1.363 10 0 ADAEHM CC[C@@H](CC1CC1)N1CC(=O)[N-]C1=O 86786399 572980684 /nfs/dbraw/zinc/98/06/84/572980684.db2.gz NSMVBJYVSATSCO-QMMMGPOBSA-N -1 3 196.250 1.117 10 0 ADAEHM CCC[C@@H](CC)N1CC(=O)[N-]C1=O 86785884 572980688 /nfs/dbraw/zinc/98/06/88/572980688.db2.gz PUBVBYNGWBVHBR-SSDOTTSWSA-N -1 3 184.239 1.117 10 0 ADAEHM CCC[C@H](CC)N1CC(=O)[N-]C1=O 86785888 572980706 /nfs/dbraw/zinc/98/07/06/572980706.db2.gz PUBVBYNGWBVHBR-ZETCQYMHSA-N -1 3 184.239 1.117 10 0 ADAEHM CCCCC[C@@H](C)N1CC(=O)[N-]C1=O 86787538 572981077 /nfs/dbraw/zinc/98/10/77/572981077.db2.gz FAQHTDKHMXCSNH-MRVPVSSYSA-N -1 3 198.266 1.507 10 0 ADAEHM CC(C)CC[C@@H](C)N1CC(=O)[N-]C1=O 86786496 572981095 /nfs/dbraw/zinc/98/10/95/572981095.db2.gz ATRHNRXYIYIRGQ-MRVPVSSYSA-N -1 3 198.266 1.363 10 0 ADAEHM CC[C@H](C)C[C@H](C)N1CC(=O)[N-]C1=O 86786546 572981118 /nfs/dbraw/zinc/98/11/18/572981118.db2.gz FVWHDMNVOWLFPO-YUMQZZPRSA-N -1 3 198.266 1.363 10 0 ADAEHM CCC(CC)[C@@H](C)N1CC(=O)[N-]C1=O 86786134 572981270 /nfs/dbraw/zinc/98/12/70/572981270.db2.gz OITFWQWEDMKWDT-SSDOTTSWSA-N -1 3 198.266 1.363 10 0 ADAEHM CC(C)CC[C@H](C)N1CC(=O)[N-]C1=O 86786498 572981341 /nfs/dbraw/zinc/98/13/41/572981341.db2.gz ATRHNRXYIYIRGQ-QMMMGPOBSA-N -1 3 198.266 1.363 10 0 ADAEHM CCCC[C@H](C)N1CC(=O)[N-]C1=O 86785866 572981360 /nfs/dbraw/zinc/98/13/60/572981360.db2.gz JVAWUTGPWNQROJ-ZETCQYMHSA-N -1 3 184.239 1.117 10 0 ADAEHM CC[C@H](C)C[C@@H](C)N1CC(=O)[N-]C1=O 86786538 572981374 /nfs/dbraw/zinc/98/13/74/572981374.db2.gz FVWHDMNVOWLFPO-JGVFFNPUSA-N -1 3 198.266 1.363 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)[C@H]1CC1(C)C 308215709 572992736 /nfs/dbraw/zinc/99/27/36/572992736.db2.gz JFUDKGCNZXWTFQ-JGVFFNPUSA-N -1 3 185.267 1.879 10 0 ADAEHM C[C@@H](CF)NCc1ccc([O-])cn1 308217291 572992917 /nfs/dbraw/zinc/99/29/17/572992917.db2.gz ARCLLEWBXPBKLB-ZETCQYMHSA-N -1 3 184.214 1.235 10 0 ADAEHM C[C@@H](O)Cc1cc(F)c(F)cc1[O-] 258205364 572993310 /nfs/dbraw/zinc/99/33/10/572993310.db2.gz YWMKYMSLKUVMIF-RXMQYKEDSA-N -1 3 188.173 1.594 10 0 ADAEHM CCCNc1cc(=O)[n-]c(C(C)C)n1 87909297 572993450 /nfs/dbraw/zinc/99/34/50/572993450.db2.gz DTOJCFHRNBZGDB-UHFFFAOYSA-N -1 3 195.266 1.715 10 0 ADAEHM O=c1oc2cc(CO)c([O-])cc2s1 258207490 572993591 /nfs/dbraw/zinc/99/35/91/572993591.db2.gz ZAXKSZJJQDDOJF-UHFFFAOYSA-N -1 3 198.199 1.052 10 0 ADAEHM COC(=O)c1[n-]c(=S)[nH]c1C1CC1 258207202 572993771 /nfs/dbraw/zinc/99/37/71/572993771.db2.gz WACCLEVYCJUAML-UHFFFAOYSA-N -1 3 198.247 1.362 10 0 ADAEHM Cc1ncc([C@H]2CCSC2)c(=O)[n-]1 258468680 572994330 /nfs/dbraw/zinc/99/43/30/572994330.db2.gz HPKJECOPPOMBFQ-ZETCQYMHSA-N -1 3 196.275 1.711 10 0 ADAEHM CCNc1cc(=O)[n-]c(C2CC2)n1 87909298 572994345 /nfs/dbraw/zinc/99/43/45/572994345.db2.gz BITCABTVNJTQOX-UHFFFAOYSA-N -1 3 179.223 1.079 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)[C@H]1CC1(C)C 308215708 572994408 /nfs/dbraw/zinc/99/44/08/572994408.db2.gz JFUDKGCNZXWTFQ-HTQZYQBOSA-N -1 3 185.267 1.879 10 0 ADAEHM Cc1cccc(/C=C\[N+](=O)[O-])c1[O-] 104529494 572994457 /nfs/dbraw/zinc/99/44/57/572994457.db2.gz QDCYXJSUNSVROC-WAYWQWQTSA-N -1 3 179.175 1.948 10 0 ADAEHM CCCNc1cc(=O)[n-]c(CC)n1 87906606 572994488 /nfs/dbraw/zinc/99/44/88/572994488.db2.gz PWOZGPXBVIXNDV-UHFFFAOYSA-N -1 3 181.239 1.154 10 0 ADAEHM CCC(=O)c1cc(N)c([O-])cc1C 238241203 572995029 /nfs/dbraw/zinc/99/50/29/572995029.db2.gz PAKLXCGEXYVWAE-UHFFFAOYSA-N -1 3 179.219 1.876 10 0 ADAEHM CN1C(=O)CCc2cc([O-])cc(F)c21 257916538 572995211 /nfs/dbraw/zinc/99/52/11/572995211.db2.gz MWXOXZZMUZGNLT-UHFFFAOYSA-N -1 3 195.193 1.440 10 0 ADAEHM C[C@H](O)Cc1cc(F)c(F)cc1[O-] 258205368 572995512 /nfs/dbraw/zinc/99/55/12/572995512.db2.gz YWMKYMSLKUVMIF-YFKPBYRVSA-N -1 3 188.173 1.594 10 0 ADAEHM Cc1ncc([C@@H]2CCSC2)c(=O)[n-]1 258468677 572996494 /nfs/dbraw/zinc/99/64/94/572996494.db2.gz HPKJECOPPOMBFQ-SSDOTTSWSA-N -1 3 196.275 1.711 10 0 ADAEHM COc1cc([O-])c(F)c(CNO)c1 258207595 572996881 /nfs/dbraw/zinc/99/68/81/572996881.db2.gz ZCYZIGIYDADQDU-UHFFFAOYSA-N -1 3 187.170 1.019 10 0 ADAEHM N[C@@H]1CCOc2cccc(C(=O)[O-])c21 104530370 572997045 /nfs/dbraw/zinc/99/70/45/572997045.db2.gz KFTSZDYKRAVEFT-SSDOTTSWSA-N -1 3 193.202 1.167 10 0 ADAEHM N[N-]C(=S)S[C@@H]1C=CCCC1 104533017 572997078 /nfs/dbraw/zinc/99/70/78/572997078.db2.gz KGSRPOUEFJNZIC-ZCFIWIBFSA-N -1 3 188.321 1.577 10 0 ADAEHM Cc1cccc([C@](C)(N)C(=O)[O-])c1C 104525445 572997336 /nfs/dbraw/zinc/99/73/36/572997336.db2.gz YCKVZQLCEVIDCH-NSHDSACASA-N -1 3 193.246 1.562 10 0 ADAEHM CCC(=O)c1cc(OC)c([O-])cc1O 238241764 572997500 /nfs/dbraw/zinc/99/75/00/572997500.db2.gz MBVGMMGFPMNSGS-UHFFFAOYSA-N -1 3 196.202 1.699 10 0 ADAEHM Cc1ccc([O-])c(/C=C\[N+](=O)[O-])c1 104529498 572997552 /nfs/dbraw/zinc/99/75/52/572997552.db2.gz RJZQDYLHRPZMDZ-PLNGDYQASA-N -1 3 179.175 1.948 10 0 ADAEHM N[N-]C(=S)S[C@H]1C=CCCC1 104533013 572997962 /nfs/dbraw/zinc/99/79/62/572997962.db2.gz KGSRPOUEFJNZIC-LURJTMIESA-N -1 3 188.321 1.577 10 0 ADAEHM Nc1cc(-c2cc(F)ccc2[O-])no1 258211907 572997977 /nfs/dbraw/zinc/99/79/77/572997977.db2.gz ZMFPOUKLGYFGJS-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM CC(C)[C@@](N)(C(=O)[O-])C(C)(C)F 257922285 572997984 /nfs/dbraw/zinc/99/79/84/572997984.db2.gz RPXAGYATNFPUKO-MRVPVSSYSA-N -1 3 177.219 1.173 10 0 ADAEHM CC1(c2cc(=O)[n-]c(=S)[nH]2)CC1 238240965 572998070 /nfs/dbraw/zinc/99/80/70/572998070.db2.gz UROSEQFNFKTYBU-UHFFFAOYSA-N -1 3 182.248 1.484 10 0 ADAEHM CCCc1nc(NCC)cc(=O)[n-]1 87907874 572999485 /nfs/dbraw/zinc/99/94/85/572999485.db2.gz AAPQDQCACINGNZ-UHFFFAOYSA-N -1 3 181.239 1.154 10 0 ADAEHM Cc1noc([N-][C@@]2(C)CCO[C@@H]2C)n1 235679902 572999359 /nfs/dbraw/zinc/99/93/59/572999359.db2.gz SHKMDBDPQMUUNN-MUWHJKNJSA-N -1 3 197.238 1.357 10 0 ADAEHM CC(=O)Cc1ncc2cc([O-])ccn12 258468434 572999385 /nfs/dbraw/zinc/99/93/85/572999385.db2.gz HMCWBVRQFALLEX-UHFFFAOYSA-N -1 3 190.202 1.171 10 0 ADAEHM CNc1cc(=O)[n-]c(C(C)(C)C)n1 87909295 572999553 /nfs/dbraw/zinc/99/95/53/572999553.db2.gz HNNRANJUDMOIMV-UHFFFAOYSA-N -1 3 181.239 1.109 10 0 ADAEHM CC(C)[C@](N)(C(=O)[O-])C(C)(C)F 257922286 572999842 /nfs/dbraw/zinc/99/98/42/572999842.db2.gz RPXAGYATNFPUKO-QMMMGPOBSA-N -1 3 177.219 1.173 10 0 ADAEHM CCSc1ncc(F)c(=NN)[n-]1 104544107 573000691 /nfs/dbraw/zinc/00/06/91/573000691.db2.gz RYGBEGICFAOBMC-UHFFFAOYSA-N -1 3 188.231 1.013 10 0 ADAEHM CCSc1nc(=NN)c(F)c[n-]1 104544107 573000696 /nfs/dbraw/zinc/00/06/96/573000696.db2.gz RYGBEGICFAOBMC-UHFFFAOYSA-N -1 3 188.231 1.013 10 0 ADAEHM CCCNc1nc(CC)[n-]c(=O)c1C 87918255 573000738 /nfs/dbraw/zinc/00/07/38/573000738.db2.gz ULGYLFYDXWADNI-UHFFFAOYSA-N -1 3 195.266 1.463 10 0 ADAEHM CC(C)c1cc2ncc([O-])cn2n1 258212590 573000932 /nfs/dbraw/zinc/00/09/32/573000932.db2.gz JYNQETFVEPEJCQ-UHFFFAOYSA-N -1 3 177.207 1.558 10 0 ADAEHM CC1=CC[C@@H]2C(=O)C=C([O-])[C@H]2C1 238244402 573000949 /nfs/dbraw/zinc/00/09/49/573000949.db2.gz HUNIRQRYEQGOSJ-YUMQZZPRSA-N -1 3 164.204 1.501 10 0 ADAEHM CNc1nc(C(C)C)[n-]c(=O)c1C 87918253 573001153 /nfs/dbraw/zinc/00/11/53/573001153.db2.gz ZMTMPMCFLCNMMN-UHFFFAOYSA-N -1 3 181.239 1.243 10 0 ADAEHM CC1=CC[C@@H]2C(=O)C=C([O-])[C@@H]2C1 238244227 573001688 /nfs/dbraw/zinc/00/16/88/573001688.db2.gz HUNIRQRYEQGOSJ-JGVFFNPUSA-N -1 3 164.204 1.501 10 0 ADAEHM Cc1cc2c(Cl)n[n-]c(=NN)c2o1 104542868 573001693 /nfs/dbraw/zinc/00/16/93/573001693.db2.gz GQJJJGHWJOETOY-UHFFFAOYSA-N -1 3 198.613 1.470 10 0 ADAEHM CCCc1nc(NCC)c(C)c(=O)[n-]1 87918248 573001923 /nfs/dbraw/zinc/00/19/23/573001923.db2.gz GZIIEIZOKLJLHF-UHFFFAOYSA-N -1 3 195.266 1.463 10 0 ADAEHM CC1=C(c2ccccc2[O-])C(=O)OC1 238250803 573002895 /nfs/dbraw/zinc/00/28/95/573002895.db2.gz HHUJKVIFQARLGS-UHFFFAOYSA-N -1 3 190.198 1.723 10 0 ADAEHM CNc1nc(C(C)(C)C)[n-]c(=O)c1C 87918259 573003017 /nfs/dbraw/zinc/00/30/17/573003017.db2.gz ZAIWNVMGNGBDNR-UHFFFAOYSA-N -1 3 195.266 1.418 10 0 ADAEHM Cc1cc([O-])c(F)c(CC2(O)CC2)c1 258215962 573003090 /nfs/dbraw/zinc/00/30/90/573003090.db2.gz ZXLXZMWRCHPBEE-UHFFFAOYSA-N -1 3 196.221 1.907 10 0 ADAEHM NNc1ccc([O-])c(Cl)c1Cl 104534584 573003792 /nfs/dbraw/zinc/00/37/92/573003792.db2.gz RVCNHYCNAXLNLD-UHFFFAOYSA-N -1 3 193.033 1.985 10 0 ADAEHM CCNc1nc(C(C)C)[n-]c(=O)c1C 87918254 573003861 /nfs/dbraw/zinc/00/38/61/573003861.db2.gz YOAVKCITFLJPIM-UHFFFAOYSA-N -1 3 195.266 1.634 10 0 ADAEHM CCC1=C([O-])CC(CC)CC1=O 238244103 573004681 /nfs/dbraw/zinc/00/46/81/573004681.db2.gz OKXDDLITKLLYHU-UHFFFAOYSA-N -1 3 168.236 1.971 10 0 ADAEHM CCC1CC(=O)C(C)=C([O-])C1 238244087 573004886 /nfs/dbraw/zinc/00/48/86/573004886.db2.gz IPAWVAVWXIAWRK-UHFFFAOYSA-N -1 3 154.209 1.581 10 0 ADAEHM NCc1nc(C2CC2)sc1C(=O)[O-] 258213779 573006188 /nfs/dbraw/zinc/00/61/88/573006188.db2.gz OHNJSMYZRJRXIH-UHFFFAOYSA-N -1 3 198.247 1.177 10 0 ADAEHM CC(C)(CC(=O)[O-])c1cnccc1N 87924386 573006655 /nfs/dbraw/zinc/00/66/55/573006655.db2.gz XMKUNBFCADZNQW-UHFFFAOYSA-N -1 3 194.234 1.416 10 0 ADAEHM C[C@H](C(=O)[O-])[C@H](C)c1cnccc1N 87926049 573007244 /nfs/dbraw/zinc/00/72/44/573007244.db2.gz SQJDWVBQHNCHDW-BQBZGAKWSA-N -1 3 194.234 1.488 10 0 ADAEHM O=S(=O)([N-]C1CCCC1)C(F)F 82367387 573007252 /nfs/dbraw/zinc/00/72/52/573007252.db2.gz AEXOZSLRGICKRE-UHFFFAOYSA-N -1 3 199.222 1.071 10 0 ADAEHM O=Cc1coc(-c2ccccc2[O-])n1 258215955 573007381 /nfs/dbraw/zinc/00/73/81/573007381.db2.gz UQNPCERSAYOZFS-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM C[C@H](C(=O)[O-])[C@@H](C)c1cnccc1N 87926048 573007539 /nfs/dbraw/zinc/00/75/39/573007539.db2.gz SQJDWVBQHNCHDW-RQJHMYQMSA-N -1 3 194.234 1.488 10 0 ADAEHM CCC(=O)c1ccc2n[n-]nc2c1 113433894 573007561 /nfs/dbraw/zinc/00/75/61/573007561.db2.gz OEDRKTSGEDYBFE-UHFFFAOYSA-N -1 3 175.191 1.551 10 0 ADAEHM C[C@H](CC(=O)[O-])c1cnccc1N 87925315 573007612 /nfs/dbraw/zinc/00/76/12/573007612.db2.gz XRJSUUPPRURIRP-ZCFIWIBFSA-N -1 3 180.207 1.242 10 0 ADAEHM Cc1cc(CON)cc(Cl)c1[O-] 258214277 573007907 /nfs/dbraw/zinc/00/79/07/573007907.db2.gz ZRUJNQKEGYKZNY-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM Cc1cn(C)c(=O)c2cccc([O-])c12 259598813 573008531 /nfs/dbraw/zinc/00/85/31/573008531.db2.gz CZBUSLAXTKVJPW-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM CCCCCSC(=S)[N-]N 104549874 573009219 /nfs/dbraw/zinc/00/92/19/573009219.db2.gz GSNOFELWCRUDEC-UHFFFAOYSA-N -1 3 178.326 1.658 10 0 ADAEHM Nc1ccncc1[C@@H]1CC[C@@H]1C(=O)[O-] 87925096 573009286 /nfs/dbraw/zinc/00/92/86/573009286.db2.gz PZEZXKYERFQBAC-RQJHMYQMSA-N -1 3 192.218 1.242 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@@H](C)c1cnccc1N 87926046 573010146 /nfs/dbraw/zinc/01/01/46/573010146.db2.gz SQJDWVBQHNCHDW-RNFRBKRXSA-N -1 3 194.234 1.488 10 0 ADAEHM C/C=C\CNc1cc(=O)[n-]cn1 395042978 573009488 /nfs/dbraw/zinc/00/94/88/573009488.db2.gz JZGNYNBGKFTKJM-IHWYPQMZSA-N -1 3 165.196 1.170 10 0 ADAEHM Nc1ccncc1[C@H]1CC[C@H]1C(=O)[O-] 87925099 573009552 /nfs/dbraw/zinc/00/95/52/573009552.db2.gz PZEZXKYERFQBAC-NKWVEPMBSA-N -1 3 192.218 1.242 10 0 ADAEHM CC(C)CSC(=S)[N-]N 104549952 573009884 /nfs/dbraw/zinc/00/98/84/573009884.db2.gz QDJFYYIKSSKDCW-UHFFFAOYSA-N -1 3 164.299 1.124 10 0 ADAEHM Nc1ccncc1[C@@H]1CC[C@H]1C(=O)[O-] 87925098 573010496 /nfs/dbraw/zinc/01/04/96/573010496.db2.gz PZEZXKYERFQBAC-RNFRBKRXSA-N -1 3 192.218 1.242 10 0 ADAEHM C[C@H](c1cnccc1N)[C@@H](C)C(=O)[O-] 87926047 573010940 /nfs/dbraw/zinc/01/09/40/573010940.db2.gz SQJDWVBQHNCHDW-NKWVEPMBSA-N -1 3 194.234 1.488 10 0 ADAEHM CN1C(=O)Cc2cc([O-])cc(Cl)c21 257922930 573012762 /nfs/dbraw/zinc/01/27/62/573012762.db2.gz NYXGKRFSWUEAHW-UHFFFAOYSA-N -1 3 197.621 1.565 10 0 ADAEHM CC(=O)c1ccc2[n-]oc(=O)c2c1 257923584 573015613 /nfs/dbraw/zinc/01/56/13/573015613.db2.gz RTKCWWSCDJIHQI-UHFFFAOYSA-N -1 3 177.159 1.324 10 0 ADAEHM COC(=O)c1c([O-])cc(C=O)cc1F 113652381 573015715 /nfs/dbraw/zinc/01/57/15/573015715.db2.gz NCAKZVGKSZCBRO-UHFFFAOYSA-N -1 3 198.149 1.130 10 0 ADAEHM O=C([O-])c1ocnc1[C@@H]1CCCCN1 258226187 573016075 /nfs/dbraw/zinc/01/60/75/573016075.db2.gz ZAEMTJKLANJKHN-LURJTMIESA-N -1 3 196.206 1.187 10 0 ADAEHM CCN(N=O)c1ccccc1[O-] 238253463 573017606 /nfs/dbraw/zinc/01/76/06/573017606.db2.gz FMNBCASJOBADNN-UHFFFAOYSA-N -1 3 166.180 1.900 10 0 ADAEHM CC1=C(C(=O)[O-])SC(=S)C1N 82390816 573017939 /nfs/dbraw/zinc/01/79/39/573017939.db2.gz SIAZFEQHQOVVKX-UHFFFAOYSA-N -1 3 189.261 1.626 10 0 ADAEHM CCCc1nc2ccoc2c(=O)[n-]1 238253988 573019412 /nfs/dbraw/zinc/01/94/12/573019412.db2.gz NWBNMYIZZVBPEX-UHFFFAOYSA-N -1 3 178.191 1.469 10 0 ADAEHM O=C(C=C([O-])[C@@H]1CCCO1)C1CC1 379343046 573019398 /nfs/dbraw/zinc/01/93/98/573019398.db2.gz IRHWTCAZZULIIT-JTQLQIEISA-N -1 3 182.219 1.104 10 0 ADAEHM CC(=O)[N-]C(=O)c1cccc(C)c1 141705861 573020513 /nfs/dbraw/zinc/02/05/13/573020513.db2.gz UNEOWXFMZGINFH-UHFFFAOYSA-N -1 3 177.203 1.271 10 0 ADAEHM Cc1cn(C)c(=O)c2cc([O-])ccc12 259595618 573021103 /nfs/dbraw/zinc/02/11/03/573021103.db2.gz CWSWSQYCDVPVOJ-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM C=Cc1cccc([C@@H](N)C(=O)[O-])c1 104573751 573022321 /nfs/dbraw/zinc/02/23/21/573022321.db2.gz ZKFJARQTACPBMG-SECBINFHSA-N -1 3 177.203 1.414 10 0 ADAEHM O=C(C=C([O-])[C@H]1CCCO1)C1CC1 379343047 573022927 /nfs/dbraw/zinc/02/29/27/573022927.db2.gz IRHWTCAZZULIIT-SNVBAGLBSA-N -1 3 182.219 1.104 10 0 ADAEHM Cc1c([O-])ccc2c1CCC2=O 113709417 573022949 /nfs/dbraw/zinc/02/29/49/573022949.db2.gz CAIKJJOYCXMRHZ-UHFFFAOYSA-N -1 3 162.188 1.830 10 0 ADAEHM CC(=O)c1ccc2occ([O-])c2c1 113690362 573023033 /nfs/dbraw/zinc/02/30/33/573023033.db2.gz ZTEHPWRCNXSTKG-UHFFFAOYSA-N -1 3 176.171 1.464 10 0 ADAEHM CC(C)N1C(=O)Cc2cccc([O-])c21 257924367 573023524 /nfs/dbraw/zinc/02/35/24/573023524.db2.gz CGIHNHXURFVCSP-UHFFFAOYSA-N -1 3 191.230 1.690 10 0 ADAEHM CC1(C)[N-]C(=O)C(=C(Cl)Cl)O1 238255880 573025613 /nfs/dbraw/zinc/02/56/13/573025613.db2.gz UVRLXDHHWBNIHO-UHFFFAOYSA-N -1 3 196.033 1.516 10 0 ADAEHM Cc1cc([C@](C)(N)C(=O)[O-])c(C)o1 104574085 573025703 /nfs/dbraw/zinc/02/57/03/573025703.db2.gz RKLVCTBOGXCWPR-VIFPVBQESA-N -1 3 183.207 1.155 10 0 ADAEHM CCC(=O)C=C([O-])C(F)F 113676007 573025847 /nfs/dbraw/zinc/02/58/47/573025847.db2.gz DHIMMJNBKAADDP-UHFFFAOYSA-N -1 3 150.124 1.190 10 0 ADAEHM CCC([O-])=CC(=O)C(F)F 113676007 573025851 /nfs/dbraw/zinc/02/58/51/573025851.db2.gz DHIMMJNBKAADDP-UHFFFAOYSA-N -1 3 150.124 1.190 10 0 ADAEHM CC(=O)Oc1ccc([O-])c(F)c1 113695073 573025887 /nfs/dbraw/zinc/02/58/87/573025887.db2.gz GBSNACSIQBLRQS-UHFFFAOYSA-N -1 3 170.139 1.457 10 0 ADAEHM Cc1cc(C)c([C@H](N)C(=O)[O-])s1 82392735 573026870 /nfs/dbraw/zinc/02/68/70/573026870.db2.gz ZAWZHNOXGGQREX-LURJTMIESA-N -1 3 185.248 1.449 10 0 ADAEHM CC(C)CCOC(=O)c1nc[n-]n1 308228551 573028068 /nfs/dbraw/zinc/02/80/68/573028068.db2.gz FSADQMOISZSBLM-UHFFFAOYSA-N -1 3 183.211 1.008 10 0 ADAEHM C[C@@H]1C/C(=C/C=C\C(=O)[O-])CCN1C 308476875 573028115 /nfs/dbraw/zinc/02/81/15/573028115.db2.gz UREAMNPAOYNDFV-QVDOTPAISA-N -1 3 195.262 1.668 10 0 ADAEHM CC/C=C\C(=O)[N-]OCC(F)(F)F 308235941 573032796 /nfs/dbraw/zinc/03/27/96/573032796.db2.gz QXWXRGDZIRMTFF-ARJAWSKDSA-N -1 3 197.156 1.563 10 0 ADAEHM Cc1cccc(F)c1[C@H](N)C(=O)[O-] 104577458 573033104 /nfs/dbraw/zinc/03/31/04/573033104.db2.gz NWCCCXPEDFUQCU-QMMMGPOBSA-N -1 3 183.182 1.219 10 0 ADAEHM C[C@H](F)c1cc(=O)[n-]c(=S)[nH]1 36455948 573033505 /nfs/dbraw/zinc/03/35/05/573033505.db2.gz OIMOJWAQRGLWKW-VKHMYHEASA-N -1 3 174.200 1.463 10 0 ADAEHM CCC(N)(CC)c1nc(C)cc(=O)[n-]1 82425464 573033571 /nfs/dbraw/zinc/03/35/71/573033571.db2.gz JTCXTJRMTHDSNW-UHFFFAOYSA-N -1 3 195.266 1.052 10 0 ADAEHM CC/C=C/C(=O)[N-]OCC(F)(F)F 308235942 573034380 /nfs/dbraw/zinc/03/43/80/573034380.db2.gz QXWXRGDZIRMTFF-ONEGZZNKSA-N -1 3 197.156 1.563 10 0 ADAEHM C=Cc1ccccc1[C@@H](N)C(=O)[O-] 104581147 573035089 /nfs/dbraw/zinc/03/50/89/573035089.db2.gz HGXMBYDYKWXJNH-SECBINFHSA-N -1 3 177.203 1.414 10 0 ADAEHM CCOc1c(F)ccc(C=O)c1[O-] 113879619 573035225 /nfs/dbraw/zinc/03/52/25/573035225.db2.gz JTSUVTDLJPIHIX-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM O=C1C=C([O-])[C@H]2C3CCC(CC3)[C@H]12 113850171 573035791 /nfs/dbraw/zinc/03/57/91/573035791.db2.gz LCFPDWOETCYJTM-VMLKCIBOSA-N -1 3 178.231 1.581 10 0 ADAEHM O=C1C=C([O-])[C@@H]2C3CCC(CC3)[C@H]12 113817694 573036109 /nfs/dbraw/zinc/03/61/09/573036109.db2.gz LCFPDWOETCYJTM-COMYQFAHSA-N -1 3 178.231 1.581 10 0 ADAEHM CCOc1ccc(F)c(C=O)c1[O-] 113863364 573036217 /nfs/dbraw/zinc/03/62/17/573036217.db2.gz WPCKPCKDDJYKLQ-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM CC(C)c1nc(C2CC2)cc(=O)[n-]1 82430890 573036868 /nfs/dbraw/zinc/03/68/68/573036868.db2.gz MWLWVLJGTNWLIX-UHFFFAOYSA-N -1 3 178.235 1.771 10 0 ADAEHM CCc1nc(CSC)[n-]c(=O)c1C 82442211 573037112 /nfs/dbraw/zinc/03/71/12/573037112.db2.gz VVOIUVLUOUTGRN-UHFFFAOYSA-N -1 3 198.291 1.504 10 0 ADAEHM CO[N-]C(=O)C1(C)CCCC1 82435478 573037783 /nfs/dbraw/zinc/03/77/83/573037783.db2.gz CLHPSCTWIKHBEJ-UHFFFAOYSA-N -1 3 157.213 1.244 10 0 ADAEHM CCc1nc(C(C)(C)C)[n-]c(=O)c1C 82442205 573038748 /nfs/dbraw/zinc/03/87/48/573038748.db2.gz PZLASOUASJLPOF-UHFFFAOYSA-N -1 3 194.278 1.938 10 0 ADAEHM CCc1nc(CC(C)C)[n-]c(=O)c1C 82442197 573038873 /nfs/dbraw/zinc/03/88/73/573038873.db2.gz RBDQKQNKFDMZCK-UHFFFAOYSA-N -1 3 194.278 1.839 10 0 ADAEHM O=C1C=C([O-])[C@@H]2C3CCC(CC3)[C@@H]12 113850174 573038979 /nfs/dbraw/zinc/03/89/79/573038979.db2.gz LCFPDWOETCYJTM-XFBKVQLDSA-N -1 3 178.231 1.581 10 0 ADAEHM CCc1nc(C2CC2)[n-]c(=O)c1C 82442196 573039367 /nfs/dbraw/zinc/03/93/67/573039367.db2.gz NPNJGABQVNRYKZ-UHFFFAOYSA-N -1 3 178.235 1.518 10 0 ADAEHM CCOc1nc(=O)[n-]c(C)c1CC 238262478 573039775 /nfs/dbraw/zinc/03/97/75/573039775.db2.gz DSEOCIFPDZVNPK-UHFFFAOYSA-N -1 3 182.223 1.039 10 0 ADAEHM CCCc1nc(CC)c(C)c(=O)[n-]1 82442208 573039858 /nfs/dbraw/zinc/03/98/58/573039858.db2.gz CSJXRAOZHZFXJM-UHFFFAOYSA-N -1 3 180.251 1.593 10 0 ADAEHM CC1(C)[C@H]2CC[C@@]13[N-]C(=S)O[C@@H]3C2 238250308 573040391 /nfs/dbraw/zinc/04/03/91/573040391.db2.gz KVZVFVZCCCSAAN-PJKMHFRUSA-N -1 3 197.303 1.838 10 0 ADAEHM CCn1nnc2cc([O-])ccc21 77018998 573040875 /nfs/dbraw/zinc/04/08/75/573040875.db2.gz MKFQOXAOLOVYMG-UHFFFAOYSA-N -1 3 163.180 1.157 10 0 ADAEHM CC(C)Cn1nnc2cc([O-])ccc21 77019004 573041194 /nfs/dbraw/zinc/04/11/94/573041194.db2.gz BDQUXDJMUBBYKA-UHFFFAOYSA-N -1 3 191.234 1.793 10 0 ADAEHM CC(C)Oc1cc(=O)[n-]c(C2CC2)n1 224804268 573041574 /nfs/dbraw/zinc/04/15/74/573041574.db2.gz GEGYDILEPHXNIK-UHFFFAOYSA-N -1 3 194.234 1.435 10 0 ADAEHM CCc1c(N)nc(C(C)(C)C)[n-]c1=O 82450816 573041581 /nfs/dbraw/zinc/04/15/81/573041581.db2.gz VOWADJKPXBCYSD-UHFFFAOYSA-N -1 3 195.266 1.212 10 0 ADAEHM CCN1CCc2cc([O-])ccc2C1=O 113903873 573041703 /nfs/dbraw/zinc/04/17/03/573041703.db2.gz XTNFFJIQFKYIJP-UHFFFAOYSA-N -1 3 191.230 1.410 10 0 ADAEHM Cc1c(N)nc(CCC(C)C)[n-]c1=O 82450780 573042515 /nfs/dbraw/zinc/04/25/15/573042515.db2.gz LKCQBNPGJYIKOG-UHFFFAOYSA-N -1 3 195.266 1.249 10 0 ADAEHM CCc1nc(N)c(C(C)C)c(=O)[n-]1 82450901 573043205 /nfs/dbraw/zinc/04/32/05/573043205.db2.gz IVGQSEHVELYSBF-UHFFFAOYSA-N -1 3 181.239 1.038 10 0 ADAEHM CCCCCOC(=O)c1cn[n-]c1 308234780 573043502 /nfs/dbraw/zinc/04/35/02/573043502.db2.gz QHLVDUYPCKTELM-UHFFFAOYSA-N -1 3 182.223 1.757 10 0 ADAEHM Cn1ncc([O-])c1C1CCSCC1 257928169 573044024 /nfs/dbraw/zinc/04/40/24/573044024.db2.gz ZEMVDLTURTZXNQ-UHFFFAOYSA-N -1 3 198.291 1.736 10 0 ADAEHM CC(C)c1c(N)nc(C2CC2)[n-]c1=O 82450903 573044290 /nfs/dbraw/zinc/04/42/90/573044290.db2.gz YOVUUEPPZKYBSZ-UHFFFAOYSA-N -1 3 193.250 1.353 10 0 ADAEHM CCc1nc([C@@H](N)CC)[n-]c(=O)c1C 82449618 573044525 /nfs/dbraw/zinc/04/45/25/573044525.db2.gz DKZKRSHDIGMUDT-ZETCQYMHSA-N -1 3 195.266 1.051 10 0 ADAEHM CCCc1c(N)nc(C2CC2)[n-]c1=O 82450860 573044533 /nfs/dbraw/zinc/04/45/33/573044533.db2.gz AGZWVLPDDREVEJ-UHFFFAOYSA-N -1 3 193.250 1.182 10 0 ADAEHM CCc1c(N)nc(C(C)C)[n-]c1=O 82450802 573045170 /nfs/dbraw/zinc/04/51/70/573045170.db2.gz UCCDVZSFLDOPPL-UHFFFAOYSA-N -1 3 181.239 1.038 10 0 ADAEHM CCOc1c(O)ccc2c([O-])coc12 238257878 573045406 /nfs/dbraw/zinc/04/54/06/573045406.db2.gz HISXHSDWRRZSQF-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM Cc1c(N)nc(C2CCCC2)[n-]c1=O 82450704 573045431 /nfs/dbraw/zinc/04/54/31/573045431.db2.gz ZQCBNTIFWWNLEA-UHFFFAOYSA-N -1 3 193.250 1.318 10 0 ADAEHM CCCc1c(N)nc(C(C)C)[n-]c1=O 82450863 573045467 /nfs/dbraw/zinc/04/54/67/573045467.db2.gz GCZCXTNQCMOYHM-UHFFFAOYSA-N -1 3 195.266 1.428 10 0 ADAEHM CCCc1nc(N)c(C(C)C)c(=O)[n-]1 82450915 573045887 /nfs/dbraw/zinc/04/58/87/573045887.db2.gz VSSBSOUWOVAMGQ-UHFFFAOYSA-N -1 3 195.266 1.428 10 0 ADAEHM COc1csc(-c2n[n-]c(=O)o2)c1 88032992 573046125 /nfs/dbraw/zinc/04/61/25/573046125.db2.gz KPGGZZQVWJCJML-UHFFFAOYSA-N -1 3 198.203 1.512 10 0 ADAEHM CCc1nc([C@H](N)CC)[n-]c(=O)c1C 82449616 573046171 /nfs/dbraw/zinc/04/61/71/573046171.db2.gz DKZKRSHDIGMUDT-SSDOTTSWSA-N -1 3 195.266 1.051 10 0 ADAEHM CC(C)c1nc(N)c(C(C)C)c(=O)[n-]1 82450906 573046564 /nfs/dbraw/zinc/04/65/64/573046564.db2.gz BKPVAPKWNHRHIF-UHFFFAOYSA-N -1 3 195.266 1.599 10 0 ADAEHM O=C1CCc2cc([O-])c(F)cc2N1 257934690 573047175 /nfs/dbraw/zinc/04/71/75/573047175.db2.gz PTSLWVUGUYFVGW-UHFFFAOYSA-N -1 3 181.166 1.416 10 0 ADAEHM CCc1c(N)nc(CC(C)C)[n-]c1=O 82450800 573047246 /nfs/dbraw/zinc/04/72/46/573047246.db2.gz NQKORQPFAMDZCE-UHFFFAOYSA-N -1 3 195.266 1.113 10 0 ADAEHM CCNC(=O)c1ccc([O-])cc1OC 238258980 573048223 /nfs/dbraw/zinc/04/82/23/573048223.db2.gz LEUMYXJFQTYNBZ-UHFFFAOYSA-N -1 3 195.218 1.151 10 0 ADAEHM CCOc1c([O-])ccc2c1CCC2=O 238257862 573048435 /nfs/dbraw/zinc/04/84/35/573048435.db2.gz URMXRMGHWOMPFJ-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM C[C@H](OC(=O)c1cn[n-]c1)C1CC1 308249304 573050541 /nfs/dbraw/zinc/05/05/41/573050541.db2.gz GVJFVESQFRTUHO-LURJTMIESA-N -1 3 180.207 1.365 10 0 ADAEHM CCP(CC)CCC(=O)[O-] 238262022 573052050 /nfs/dbraw/zinc/05/20/50/573052050.db2.gz XQKCXDVVYUVRHU-UHFFFAOYSA-N -1 3 162.169 1.983 10 0 ADAEHM N=C(N)C(F)(F)c1ccccc1[O-] 259599065 573052200 /nfs/dbraw/zinc/05/22/00/573052200.db2.gz CZZVGYCKKDSPKO-UHFFFAOYSA-N -1 3 186.161 1.420 10 0 ADAEHM CC(C)(C)Cn1[n-]cc(CN)c1=O 257938029 573052558 /nfs/dbraw/zinc/05/25/58/573052558.db2.gz KNIAHFYZQOOWSL-UHFFFAOYSA-N -1 3 183.255 1.094 10 0 ADAEHM CCc1c([O-])nc([C@H](C)CC)[nH]c1=O 82473875 573053339 /nfs/dbraw/zinc/05/33/39/573053339.db2.gz YDMLXKZKIRZBTK-ZCFIWIBFSA-N -1 3 196.250 1.551 10 0 ADAEHM Cc1c([O-])nc(CCC(C)C)[nH]c1=O 82473787 573053402 /nfs/dbraw/zinc/05/34/02/573053402.db2.gz BFRXTDSTBKMRRR-UHFFFAOYSA-N -1 3 196.250 1.373 10 0 ADAEHM CC[C@H]1OC(=O)[N-]C(=O)C1(CC)CC 238273906 573053519 /nfs/dbraw/zinc/05/35/19/573053519.db2.gz ULNKQINULMPXDA-SSDOTTSWSA-N -1 3 199.250 1.838 10 0 ADAEHM CC[C@H](C)c1nc([O-])c(C)c(=O)[nH]1 82473859 573053996 /nfs/dbraw/zinc/05/39/96/573053996.db2.gz ZFZRDCQDDOKPDP-YFKPBYRVSA-N -1 3 182.223 1.297 10 0 ADAEHM CCOc1ccccc2cc(=O)[n-]c1-2 238260189 573054259 /nfs/dbraw/zinc/05/42/59/573054259.db2.gz QAEWKTRYFCEMLL-UHFFFAOYSA-N -1 3 189.214 1.878 10 0 ADAEHM CC(C)c1nc([O-])c(C(C)C)c(=O)[nH]1 82473845 573054808 /nfs/dbraw/zinc/05/48/08/573054808.db2.gz KTAMZRINUZZCOM-UHFFFAOYSA-N -1 3 196.250 1.722 10 0 ADAEHM CCc1c([O-])nc(C(C)(C)C)[nH]c1=O 82473803 573054830 /nfs/dbraw/zinc/05/48/30/573054830.db2.gz MPLKAJUSTNZUPP-UHFFFAOYSA-N -1 3 196.250 1.335 10 0 ADAEHM CCc1c([O-])nc(CC(C)C)[nH]c1=O 82473794 573055036 /nfs/dbraw/zinc/05/50/36/573055036.db2.gz MKDPOXBSAUKEEX-UHFFFAOYSA-N -1 3 196.250 1.236 10 0 ADAEHM CCc1c([O-])nc([C@@H](C)CC)[nH]c1=O 82473874 573055084 /nfs/dbraw/zinc/05/50/84/573055084.db2.gz YDMLXKZKIRZBTK-LURJTMIESA-N -1 3 196.250 1.551 10 0 ADAEHM O=c1cc([O-])nc(C2CCCC2)[nH]1 82473611 573055179 /nfs/dbraw/zinc/05/51/79/573055179.db2.gz AVMAHUGLTONSSZ-UHFFFAOYSA-N -1 3 180.207 1.133 10 0 ADAEHM CC(C)(C)CCNCc1n[nH]c(=O)[n-]1 392387685 573055631 /nfs/dbraw/zinc/05/56/31/573055631.db2.gz YOJTWUKWXYBOOB-UHFFFAOYSA-N -1 3 198.270 1.036 10 0 ADAEHM CCOc1cc(C)c(C=O)c([O-])c1 238262185 573055942 /nfs/dbraw/zinc/05/59/42/573055942.db2.gz HANCFEAWVVVMIA-UHFFFAOYSA-N -1 3 180.203 1.912 10 0 ADAEHM CCCn1cc(C)c(=O)[n-]c1=S 238260041 573056220 /nfs/dbraw/zinc/05/62/20/573056220.db2.gz GWMWCEHIXLPEIW-UHFFFAOYSA-N -1 3 184.264 1.624 10 0 ADAEHM CC[C@@H](C)c1nc([O-])c(C)c(=O)[nH]1 82473858 573056508 /nfs/dbraw/zinc/05/65/08/573056508.db2.gz ZFZRDCQDDOKPDP-RXMQYKEDSA-N -1 3 182.223 1.297 10 0 ADAEHM CCCc1c([O-])nc(C(C)C)[nH]c1=O 82473824 573056547 /nfs/dbraw/zinc/05/65/47/573056547.db2.gz DOGMRORBWZAKRZ-UHFFFAOYSA-N -1 3 196.250 1.551 10 0 ADAEHM CCc1c([O-])nc(C(C)C)[nH]c1=O 82473795 573057233 /nfs/dbraw/zinc/05/72/33/573057233.db2.gz JYUVQMXHFZTKGP-UHFFFAOYSA-N -1 3 182.223 1.161 10 0 ADAEHM O=c1cc([O-])nc(C2CCCCC2)[nH]1 82473618 573057312 /nfs/dbraw/zinc/05/73/12/573057312.db2.gz ZQCRXODURXGENC-UHFFFAOYSA-N -1 3 194.234 1.523 10 0 ADAEHM C[C@H](O)c1c(F)ccc([O-])c1F 257938333 573057426 /nfs/dbraw/zinc/05/74/26/573057426.db2.gz CTQBOYZXAOCVGH-BYPYZUCNSA-N -1 3 174.146 1.724 10 0 ADAEHM COc1nc(=O)[n-]c2c1CCCC2 257938720 573059238 /nfs/dbraw/zinc/05/92/38/573059238.db2.gz URXXWCAILZAQRN-UHFFFAOYSA-N -1 3 180.207 1.070 10 0 ADAEHM CCC(=O)Nc1ccc([O-])c(C=O)c1 141881214 573059487 /nfs/dbraw/zinc/05/94/87/573059487.db2.gz YYJXXINRAOYJPQ-UHFFFAOYSA-N -1 3 193.202 1.553 10 0 ADAEHM C[C@@H](O)c1c(F)ccc([O-])c1F 257938335 573059623 /nfs/dbraw/zinc/05/96/23/573059623.db2.gz CTQBOYZXAOCVGH-SCSAIBSYSA-N -1 3 174.146 1.724 10 0 ADAEHM Cc1c([O-])cnn1C(C)C 258474832 573060019 /nfs/dbraw/zinc/06/00/19/573060019.db2.gz ISCPEYLLSKTJPL-UHFFFAOYSA-N -1 3 140.186 1.478 10 0 ADAEHM Cc1ncccc1-c1n[nH]c(=S)[n-]1 82480598 573060565 /nfs/dbraw/zinc/06/05/65/573060565.db2.gz SKDRESKDFWPHRS-UHFFFAOYSA-N -1 3 192.247 1.838 10 0 ADAEHM CCNC(=S)c1ccc([O-])cc1C 238264404 573062674 /nfs/dbraw/zinc/06/26/74/573062674.db2.gz KCNQXINZQOPODN-UHFFFAOYSA-N -1 3 195.287 1.986 10 0 ADAEHM C[C@@H]1[N-]C(=S)OC1(C)C 104603709 573063895 /nfs/dbraw/zinc/06/38/95/573063895.db2.gz GHUICFZSGSZCJS-BYPYZUCNSA-N -1 3 145.227 1.058 10 0 ADAEHM CCC[C@@H]1C/C(=C\C(=O)[O-])CCN1C 238264919 573064537 /nfs/dbraw/zinc/06/45/37/573064537.db2.gz OZRYUYOHNIMBTA-HSTULFTRSA-N -1 3 197.278 1.892 10 0 ADAEHM CCn1ncc([O-])c1C1CC1 258474827 573064767 /nfs/dbraw/zinc/06/47/67/573064767.db2.gz ISANHWDXRSQPKR-UHFFFAOYSA-N -1 3 152.197 1.486 10 0 ADAEHM C[C@H]1[N-]C(=S)OC1(C)C 104603704 573064903 /nfs/dbraw/zinc/06/49/03/573064903.db2.gz GHUICFZSGSZCJS-SCSAIBSYSA-N -1 3 145.227 1.058 10 0 ADAEHM CCNC(=S)c1ccc(O)cc1[O-] 238264413 573065018 /nfs/dbraw/zinc/06/50/18/573065018.db2.gz VPFMPVUMEIEBPN-UHFFFAOYSA-N -1 3 197.259 1.383 10 0 ADAEHM Cc1ccc([O-])c(CON)c1F 257939437 573065985 /nfs/dbraw/zinc/06/59/85/573065985.db2.gz CZDBFAMOYJEBAS-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM C[N-]C(=S)OC(C)(C)C 104609709 573066608 /nfs/dbraw/zinc/06/66/08/573066608.db2.gz DZNCGRKUGBJIJN-UHFFFAOYSA-N -1 3 147.243 1.306 10 0 ADAEHM COc1cc(F)cc([O-])c1CO 257939443 573066934 /nfs/dbraw/zinc/06/69/34/573066934.db2.gz CZHNYOQJUXNMCO-UHFFFAOYSA-N -1 3 172.155 1.032 10 0 ADAEHM CCNC(=S)c1ccc([O-])cc1 238264394 573066971 /nfs/dbraw/zinc/06/69/71/573066971.db2.gz YFQCAFDAYJPJJI-UHFFFAOYSA-N -1 3 181.260 1.677 10 0 ADAEHM CCOc1ncc(N)c(=S)[n-]1 238265271 573067050 /nfs/dbraw/zinc/06/70/50/573067050.db2.gz KAIHFBKDGQRZMU-UHFFFAOYSA-N -1 3 171.225 1.120 10 0 ADAEHM O=C([O-])c1cnccc1NC1CCC1 88109856 573067135 /nfs/dbraw/zinc/06/71/35/573067135.db2.gz XAISZTAEXGHBAX-UHFFFAOYSA-N -1 3 192.218 1.744 10 0 ADAEHM Cc1cnc2c([O-])cncc2c1 222729712 573067618 /nfs/dbraw/zinc/06/76/18/573067618.db2.gz CWWOOWOMVWMTQZ-UHFFFAOYSA-N -1 3 160.176 1.644 10 0 ADAEHM CCCNc1ccncc1C(=O)[O-] 88109609 573068960 /nfs/dbraw/zinc/06/89/60/573068960.db2.gz PONNOUXCZLTMLQ-UHFFFAOYSA-N -1 3 180.207 1.602 10 0 ADAEHM C=Cc1cccc2c1C(=O)[N-]C2=O 114258079 573068970 /nfs/dbraw/zinc/06/89/70/573068970.db2.gz XJFFUXNWVUZUIF-UHFFFAOYSA-N -1 3 173.171 1.213 10 0 ADAEHM CC1(C)CC[N-]C(=S)O1 104611181 573069271 /nfs/dbraw/zinc/06/92/71/573069271.db2.gz SXKSXPMXJWXOCK-UHFFFAOYSA-N -1 3 145.227 1.060 10 0 ADAEHM CC(C)(C)Nc1ccncc1C(=O)[O-] 88109616 573070115 /nfs/dbraw/zinc/07/01/15/573070115.db2.gz DUHDZYUULHYYRU-UHFFFAOYSA-N -1 3 194.234 1.990 10 0 ADAEHM CC(C)N(C)c1ccncc1C(=O)[O-] 88109670 573070406 /nfs/dbraw/zinc/07/04/06/573070406.db2.gz QIVKAYHYRGMVLL-UHFFFAOYSA-N -1 3 194.234 1.624 10 0 ADAEHM CCc1nnc[n-]c1=S 104611254 573070879 /nfs/dbraw/zinc/07/08/79/573070879.db2.gz QIUDZLPXONOPEK-UHFFFAOYSA-N -1 3 141.199 1.097 10 0 ADAEHM CN(c1ccncc1C(=O)[O-])C1CC1 88109699 573071056 /nfs/dbraw/zinc/07/10/56/573071056.db2.gz BWMGEDVOEQEJOL-UHFFFAOYSA-N -1 3 192.218 1.378 10 0 ADAEHM CC[C@@H](C)Nc1ccncc1C(=O)[O-] 88109626 573071120 /nfs/dbraw/zinc/07/11/20/573071120.db2.gz UWAFBYGRCCJQDO-SSDOTTSWSA-N -1 3 194.234 1.990 10 0 ADAEHM CCNCc1o[n-]c(=O)c1Cl 238268665 573072610 /nfs/dbraw/zinc/07/26/10/573072610.db2.gz ZHDGEKALRZXIOP-UHFFFAOYSA-N -1 3 176.603 1.143 10 0 ADAEHM CCC[N-]C(=S)OCC 104614302 573072627 /nfs/dbraw/zinc/07/26/27/573072627.db2.gz GHYOYKNBJJMRDO-UHFFFAOYSA-N -1 3 147.243 1.307 10 0 ADAEHM CCNCc1cc(=O)[n-]c(SC)n1 308247236 573072729 /nfs/dbraw/zinc/07/27/29/573072729.db2.gz XGQXEVMMQGSHIZ-UHFFFAOYSA-N -1 3 199.279 1.014 10 0 ADAEHM N#C[N-]C(=O)c1cccc(Cl)c1F 88121968 573073772 /nfs/dbraw/zinc/07/37/72/573073772.db2.gz FZNRBYVVXJTQCE-UHFFFAOYSA-N -1 3 198.584 1.690 10 0 ADAEHM CCCCc1ncncc1[O-] 238268556 573074027 /nfs/dbraw/zinc/07/40/27/573074027.db2.gz AJHVNYWRWUCBPE-UHFFFAOYSA-N -1 3 152.197 1.525 10 0 ADAEHM C/C=C/COC(=S)[N-]C 104612752 573074374 /nfs/dbraw/zinc/07/43/74/573074374.db2.gz XQEAMKGQBJZJGZ-ONEGZZNKSA-N -1 3 145.227 1.083 10 0 ADAEHM [O-]c1ccc(C2=NOCC2)cc1 114350653 573076120 /nfs/dbraw/zinc/07/61/20/573076120.db2.gz BLYOHTUMYRSEOJ-UHFFFAOYSA-N -1 3 163.176 1.517 10 0 ADAEHM CCOc1cc([O-])c(F)cc1OC 238270277 573076126 /nfs/dbraw/zinc/07/61/26/573076126.db2.gz DEHZAHJQOQQLBP-UHFFFAOYSA-N -1 3 186.182 1.939 10 0 ADAEHM CCOC([O-])=NC(=O)C1CCCC1 238270705 573076171 /nfs/dbraw/zinc/07/61/71/573076171.db2.gz DQGYDFNXRLSHDU-UHFFFAOYSA-N -1 3 185.223 1.449 10 0 ADAEHM CCOC(=O)[N-]C(=O)C1CCCC1 238270705 573076176 /nfs/dbraw/zinc/07/61/76/573076176.db2.gz DQGYDFNXRLSHDU-UHFFFAOYSA-N -1 3 185.223 1.449 10 0 ADAEHM CCOc1cc(O)cc2occ([O-])c12 238270614 573076650 /nfs/dbraw/zinc/07/66/50/573076650.db2.gz GBLGWODRWJYSDZ-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM CCOc1cc([O-])ccc1C(=O)NC 238270700 573077056 /nfs/dbraw/zinc/07/70/56/573077056.db2.gz CPTNVTPDHDEQGC-UHFFFAOYSA-N -1 3 195.218 1.151 10 0 ADAEHM CCOc1cc([O-])cnc1Cl 238270894 573077073 /nfs/dbraw/zinc/07/70/73/573077073.db2.gz KHNIOQDRMXQVLW-UHFFFAOYSA-N -1 3 173.599 1.839 10 0 ADAEHM COC(=O)c1cc([O-])cc2occc12 114302219 573077227 /nfs/dbraw/zinc/07/72/27/573077227.db2.gz UCSIWQRDIXHZOY-UHFFFAOYSA-N -1 3 192.170 1.925 10 0 ADAEHM CC[C@@]1(C)C[C@@H](C)C(=O)C=C1[O-] 238269607 573077682 /nfs/dbraw/zinc/07/76/82/573077682.db2.gz ZCGXUWJYKYEQGK-XCBNKYQSSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@@]1(C)C[C@@H](C)C([O-])=CC1=O 238269607 573077689 /nfs/dbraw/zinc/07/76/89/573077689.db2.gz ZCGXUWJYKYEQGK-XCBNKYQSSA-N -1 3 168.236 1.971 10 0 ADAEHM CCOC([O-])=NC(=O)C1CCC1 238270688 573078282 /nfs/dbraw/zinc/07/82/82/573078282.db2.gz PKXSPZZHANGDAF-UHFFFAOYSA-N -1 3 171.196 1.059 10 0 ADAEHM CCOC(=O)[N-]C(=O)C1CCC1 238270688 573078286 /nfs/dbraw/zinc/07/82/86/573078286.db2.gz PKXSPZZHANGDAF-UHFFFAOYSA-N -1 3 171.196 1.059 10 0 ADAEHM CCOc1cc(O)c(C=O)c([O-])c1C 238269907 573078588 /nfs/dbraw/zinc/07/85/88/573078588.db2.gz XTDHNHBTARMIFF-UHFFFAOYSA-N -1 3 196.202 1.617 10 0 ADAEHM CSCCNCc1ncccc1[O-] 308250817 573079215 /nfs/dbraw/zinc/07/92/15/573079215.db2.gz BLQBCGAZHYKYCO-UHFFFAOYSA-N -1 3 198.291 1.240 10 0 ADAEHM CCOc1cc([O-])c2c(c1)C(=O)CC2 238271476 573081853 /nfs/dbraw/zinc/08/18/53/573081853.db2.gz KFFGIJIRCFKXCT-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CCC[C@H]1CCC(=O)C(C)=C1[O-] 238272560 573085876 /nfs/dbraw/zinc/08/58/76/573085876.db2.gz NMFNRFCVSSAPIJ-SFYZADRCSA-N -1 3 168.236 1.971 10 0 ADAEHM CCC[C@H]1CCC([O-])=C(C)C1=O 238272560 573085880 /nfs/dbraw/zinc/08/58/80/573085880.db2.gz NMFNRFCVSSAPIJ-SFYZADRCSA-N -1 3 168.236 1.971 10 0 ADAEHM CCOc1cc([O-])c2c(c1)CCC2=O 238271461 573086345 /nfs/dbraw/zinc/08/63/45/573086345.db2.gz ZODPFPPSLFPXRG-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CCC[C@H]1CCC(=O)C(C)=C1[O-] 238272629 573086485 /nfs/dbraw/zinc/08/64/85/573086485.db2.gz NMFNRFCVSSAPIJ-YUMQZZPRSA-N -1 3 168.236 1.971 10 0 ADAEHM CCC[C@H]1CCC([O-])=C(C)C1=O 238272629 573086491 /nfs/dbraw/zinc/08/64/91/573086491.db2.gz NMFNRFCVSSAPIJ-YUMQZZPRSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@H](C)c1c(C)[n-][nH]c1=O 238273319 573088751 /nfs/dbraw/zinc/08/87/51/573088751.db2.gz DBJCQMJEYDPJEC-CAHLUQPWSA-N -1 3 154.213 1.154 10 0 ADAEHM CCCc1cc(=O)[n-]c(=S)n1C 238272892 573090006 /nfs/dbraw/zinc/09/00/06/573090006.db2.gz WOMCJOPHHWZPOM-UHFFFAOYSA-N -1 3 184.264 1.395 10 0 ADAEHM S=c1[n-]cncc1Cl 104631874 573094547 /nfs/dbraw/zinc/09/45/47/573094547.db2.gz QXKSCMNLROLRBM-UHFFFAOYSA-N -1 3 146.602 1.793 10 0 ADAEHM C[C@@H](OC(=O)c1cn[n-]c1)C(F)F 308256013 573095213 /nfs/dbraw/zinc/09/52/13/573095213.db2.gz KPVUNHSVOOBAMK-SCSAIBSYSA-N -1 3 190.149 1.220 10 0 ADAEHM CCSC(=O)c1ccc([O-])cc1O 238277519 573095616 /nfs/dbraw/zinc/09/56/16/573095616.db2.gz XBKTVOVDHRLNFQ-UHFFFAOYSA-N -1 3 198.243 1.991 10 0 ADAEHM CC[C@H](C)Nc1nc([O-])cs1 238276216 573096625 /nfs/dbraw/zinc/09/66/25/573096625.db2.gz DABVOUVTDCWLPG-YFKPBYRVSA-N -1 3 172.253 1.004 10 0 ADAEHM CC(=O)[N-]OCC[C@@H]1CCCCO1 308255970 573096684 /nfs/dbraw/zinc/09/66/84/573096684.db2.gz KMYKJDXDUNIHAG-VIFPVBQESA-N -1 3 187.239 1.013 10 0 ADAEHM C[C@H](O)c1ncc2ccc([O-])cn12 257940771 573096916 /nfs/dbraw/zinc/09/69/16/573096916.db2.gz UZNFLFWPXYNNPF-LURJTMIESA-N -1 3 178.191 1.093 10 0 ADAEHM C[C@@H](O)c1ncc2ccc([O-])cn12 257940773 573097213 /nfs/dbraw/zinc/09/72/13/573097213.db2.gz UZNFLFWPXYNNPF-ZCFIWIBFSA-N -1 3 178.191 1.093 10 0 ADAEHM CC(=O)[N-]OCC[C@H]1CCCCO1 308255969 573097489 /nfs/dbraw/zinc/09/74/89/573097489.db2.gz KMYKJDXDUNIHAG-SECBINFHSA-N -1 3 187.239 1.013 10 0 ADAEHM COc1c([C@@H](C)O)ccc([O-])c1F 257943652 573097575 /nfs/dbraw/zinc/09/75/75/573097575.db2.gz ACUUKPFHEHJDKC-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM CCc1nc(CC)c(CC)c(=O)[n-]1 238276525 573097882 /nfs/dbraw/zinc/09/78/82/573097882.db2.gz FVCWCKIKVVTLIN-UHFFFAOYSA-N -1 3 180.251 1.457 10 0 ADAEHM CC[C@H](C)c1nc(N)c(C)c(=O)[n-]1 82561241 573098255 /nfs/dbraw/zinc/09/82/55/573098255.db2.gz OYLLJLBVVAYJHL-YFKPBYRVSA-N -1 3 181.239 1.174 10 0 ADAEHM O=C([O-])c1coc(CNCC2CC2)c1 128666684 573098747 /nfs/dbraw/zinc/09/87/47/573098747.db2.gz AMYDKGHUQOZOMW-UHFFFAOYSA-N -1 3 195.218 1.477 10 0 ADAEHM C[C@H](OC(=O)c1cn[n-]c1)C(F)F 308256012 573099201 /nfs/dbraw/zinc/09/92/01/573099201.db2.gz KPVUNHSVOOBAMK-BYPYZUCNSA-N -1 3 190.149 1.220 10 0 ADAEHM O=C([O-])c1coc(CNC2CC2)c1 128661114 573099460 /nfs/dbraw/zinc/09/94/60/573099460.db2.gz RJFFTZNVLIJYOZ-UHFFFAOYSA-N -1 3 181.191 1.230 10 0 ADAEHM CCNCc1cc(C(=O)[O-])co1 128663367 573099677 /nfs/dbraw/zinc/09/96/77/573099677.db2.gz CAXOHNVARFNBGX-UHFFFAOYSA-N -1 3 169.180 1.087 10 0 ADAEHM COc1c([C@H](C)O)ccc([O-])c1F 257943653 573099824 /nfs/dbraw/zinc/09/98/24/573099824.db2.gz ACUUKPFHEHJDKC-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM CCc1c(N)nc([C@@H](C)CC)[n-]c1=O 82561242 573100015 /nfs/dbraw/zinc/10/00/15/573100015.db2.gz UFXATURSKSVLEK-LURJTMIESA-N -1 3 195.266 1.428 10 0 ADAEHM CONCc1c(F)ccc([O-])c1F 257943668 573100462 /nfs/dbraw/zinc/10/04/62/573100462.db2.gz ADYXGBWJPYRIPR-UHFFFAOYSA-N -1 3 189.161 1.321 10 0 ADAEHM CCC[C@@H]1C[N-]C(=S)O1 104632044 573101307 /nfs/dbraw/zinc/10/13/07/573101307.db2.gz HHCCUJDUTHRQJW-RXMQYKEDSA-N -1 3 145.227 1.060 10 0 ADAEHM CC[C@@H](C)c1nc(N)c(C)c(=O)[n-]1 82561240 573101418 /nfs/dbraw/zinc/10/14/18/573101418.db2.gz OYLLJLBVVAYJHL-RXMQYKEDSA-N -1 3 181.239 1.174 10 0 ADAEHM CC[C@@H]1[N-]c2nonc2N=C[C@@H]1C 238278919 573101758 /nfs/dbraw/zinc/10/17/58/573101758.db2.gz JZQHOXFQMWDEKX-WDSKDSINSA-N -1 3 180.211 1.612 10 0 ADAEHM C[C@H]1C=C[C@@H](C)[C@H]2C(=O)C=C([O-])[C@@H]12 114655093 573102064 /nfs/dbraw/zinc/10/20/64/573102064.db2.gz UBEXOKZKPJGPRB-FIPCFZRWSA-N -1 3 178.231 1.603 10 0 ADAEHM COc1cc(F)c([O-])cc1CO 257940959 573102961 /nfs/dbraw/zinc/10/29/61/573102961.db2.gz DFRMNOPJIHAFCP-UHFFFAOYSA-N -1 3 172.155 1.032 10 0 ADAEHM O=C([O-])c1cc(CNC2CC2)sn1 257941097 573105031 /nfs/dbraw/zinc/10/50/31/573105031.db2.gz QRTUMEACWUZFFR-UHFFFAOYSA-N -1 3 198.247 1.093 10 0 ADAEHM CNCc1onc2c([O-])cccc12 257940842 573105321 /nfs/dbraw/zinc/10/53/21/573105321.db2.gz VAHCHENUUYLVRG-UHFFFAOYSA-N -1 3 178.191 1.253 10 0 ADAEHM CC(C)c1c(Cl)nc[n-]c1=O 82565245 573106117 /nfs/dbraw/zinc/10/61/17/573106117.db2.gz RUBURKWVPCPNCI-UHFFFAOYSA-N -1 3 172.615 1.547 10 0 ADAEHM O=Cc1onc2ccc([O-])cc12 258528305 573107165 /nfs/dbraw/zinc/10/71/65/573107165.db2.gz NCTXIEKMWIVOAR-UHFFFAOYSA-N -1 3 163.132 1.346 10 0 ADAEHM CCC[C@](N)(C(=O)[O-])C(C)(C)F 257953563 573107332 /nfs/dbraw/zinc/10/73/32/573107332.db2.gz WNYUXMGYHRNXGJ-QMMMGPOBSA-N -1 3 177.219 1.317 10 0 ADAEHM CCn1[n-]c2c(O)cccc2c1=O 257942052 573108275 /nfs/dbraw/zinc/10/82/75/573108275.db2.gz VCXDEMDLNXDEMG-UHFFFAOYSA-N -1 3 178.191 1.055 10 0 ADAEHM C[C@H]1C[C@@H]1NCc1cc(C(=O)[O-])co1 128691042 573109753 /nfs/dbraw/zinc/10/97/53/573109753.db2.gz FJFKWMQHBCKERJ-RCOVLWMOSA-N -1 3 195.218 1.476 10 0 ADAEHM O=C([O-])c1coc(CNC2CCC2)c1 128690587 573110089 /nfs/dbraw/zinc/11/00/89/573110089.db2.gz KVMYRAJGUBWQFS-UHFFFAOYSA-N -1 3 195.218 1.620 10 0 ADAEHM CC(C)(C)Cc1cnc(N)[n-]c1=O 258528723 573110420 /nfs/dbraw/zinc/11/04/20/573110420.db2.gz MJADATHMSWFQGX-UHFFFAOYSA-N -1 3 181.239 1.353 10 0 ADAEHM C[C@H]1C[C@H]1NCc1cc(C(=O)[O-])co1 128691594 573111393 /nfs/dbraw/zinc/11/13/93/573111393.db2.gz FJFKWMQHBCKERJ-IMTBSYHQSA-N -1 3 195.218 1.476 10 0 ADAEHM CC[C@H]1C/C(=C\C(=O)[O-])CCN1C 238286315 573112807 /nfs/dbraw/zinc/11/28/07/573112807.db2.gz XUWSKNNQLGAMGM-FUOZMLNRSA-N -1 3 183.251 1.502 10 0 ADAEHM C[C@@H]1C[C@H]1NCc1cc(C(=O)[O-])co1 128691310 573113003 /nfs/dbraw/zinc/11/30/03/573113003.db2.gz FJFKWMQHBCKERJ-HZGVNTEJSA-N -1 3 195.218 1.476 10 0 ADAEHM O=c1cc(C2CCSCC2)[n-][nH]1 257944723 573113056 /nfs/dbraw/zinc/11/30/56/573113056.db2.gz VNLXTVZJVURSFM-UHFFFAOYSA-N -1 3 184.264 1.726 10 0 ADAEHM COc1c(C2(O)CC2)ccc(F)c1[O-] 257953958 573115691 /nfs/dbraw/zinc/11/56/91/573115691.db2.gz BFXISACBMHANTD-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM O=C1C[C@H](C2CCCCC2)O[N-]1 258529982 573115926 /nfs/dbraw/zinc/11/59/26/573115926.db2.gz NFISYFRCFJTHPF-MRVPVSSYSA-N -1 3 169.224 1.387 10 0 ADAEHM CC[C@@H](F)c1cc(=O)[n-]cn1 143990868 573115943 /nfs/dbraw/zinc/11/59/43/573115943.db2.gz JRQJSORSOGECQE-RXMQYKEDSA-N -1 3 156.160 1.191 10 0 ADAEHM CC[C@@H]1C(=O)[N-]C(=O)O[C@H]1CC(C)C 238287453 573116389 /nfs/dbraw/zinc/11/63/89/573116389.db2.gz KPZTXWGILMALQT-YUMQZZPRSA-N -1 3 199.250 1.694 10 0 ADAEHM [O-]c1cccc2occ(CCO)c12 257944638 573116430 /nfs/dbraw/zinc/11/64/30/573116430.db2.gz RHCVDQLLZNCDMD-UHFFFAOYSA-N -1 3 178.187 1.673 10 0 ADAEHM CC(=O)Oc1ccc2c([O-])coc2c1 143988336 573116597 /nfs/dbraw/zinc/11/65/97/573116597.db2.gz VIAJUWDACPDKBT-UHFFFAOYSA-N -1 3 192.170 1.187 10 0 ADAEHM Cc1[n-]cnc2nc(Cl)nc1-2 142031980 573116844 /nfs/dbraw/zinc/11/68/44/573116844.db2.gz JYPOBBMXYVPCSM-UHFFFAOYSA-N -1 3 168.587 1.315 10 0 ADAEHM Cc1ncnc2nc(Cl)[n-]c12 142031980 573116847 /nfs/dbraw/zinc/11/68/47/573116847.db2.gz JYPOBBMXYVPCSM-UHFFFAOYSA-N -1 3 168.587 1.315 10 0 ADAEHM Cc1nc[n-]c2nc(Cl)nc1-2 142031980 573116855 /nfs/dbraw/zinc/11/68/55/573116855.db2.gz JYPOBBMXYVPCSM-UHFFFAOYSA-N -1 3 168.587 1.315 10 0 ADAEHM Cc1ncnc2[n-]c(Cl)nc12 142031980 573116862 /nfs/dbraw/zinc/11/68/62/573116862.db2.gz JYPOBBMXYVPCSM-UHFFFAOYSA-N -1 3 168.587 1.315 10 0 ADAEHM N[C@H](/C=C/Cc1ccccc1)C(=O)[O-] 308267788 573117142 /nfs/dbraw/zinc/11/71/42/573117142.db2.gz LIVPMSVYYYOIPV-VMKBVTSJSA-N -1 3 191.230 1.197 10 0 ADAEHM CC1CC(n2c(CO)n[n-]c2=S)C1 123659085 573117312 /nfs/dbraw/zinc/11/73/12/573117312.db2.gz BWRWJIAHHONECE-UHFFFAOYSA-N -1 3 199.279 1.030 10 0 ADAEHM Cc1ccc([C@H](N)C(=O)[S-])cc1 144011770 573117521 /nfs/dbraw/zinc/11/75/21/573117521.db2.gz HGXXLBDSIYHSDV-QMMMGPOBSA-N -1 3 181.260 1.451 10 0 ADAEHM O=C1C[C@@H](C2CCCCC2)O[N-]1 258529991 573119094 /nfs/dbraw/zinc/11/90/94/573119094.db2.gz NFISYFRCFJTHPF-QMMMGPOBSA-N -1 3 169.224 1.387 10 0 ADAEHM Cc1cc2occ([O-])c2cc1N 88325406 573119193 /nfs/dbraw/zinc/11/91/93/573119193.db2.gz YPIAWFKZSYAXJX-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM N[C@@H](/C=C/Cc1ccccc1)C(=O)[O-] 308267787 573119323 /nfs/dbraw/zinc/11/93/23/573119323.db2.gz LIVPMSVYYYOIPV-GOJXHPMJSA-N -1 3 191.230 1.197 10 0 ADAEHM O=C([O-])/C(F)=C1\CCN(C2CC2)C1 211879078 573120014 /nfs/dbraw/zinc/12/00/14/573120014.db2.gz RHAMJXMIUUOXMG-VURMDHGXSA-N -1 3 185.198 1.163 10 0 ADAEHM Cc1ccc([C@@H](N)C(=O)[S-])cc1 144011969 573120865 /nfs/dbraw/zinc/12/08/65/573120865.db2.gz HGXXLBDSIYHSDV-MRVPVSSYSA-N -1 3 181.260 1.451 10 0 ADAEHM CSc1cc([O-])cc(C=O)c1 144038807 573121242 /nfs/dbraw/zinc/12/12/42/573121242.db2.gz UGWURWQWLORHOR-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM Nc1c[nH]c(Oc2ccccc2[O-])n1 257948385 573122259 /nfs/dbraw/zinc/12/22/59/573122259.db2.gz WQNZMDMBBIOGRE-UHFFFAOYSA-N -1 3 191.190 1.490 10 0 ADAEHM CCC1=C(C)C(=O)NC1=C[O-] 238288779 573122578 /nfs/dbraw/zinc/12/25/78/573122578.db2.gz VNHWWGCFXXHWKE-QPJJXVBHSA-N -1 3 153.181 1.242 10 0 ADAEHM Cc1ccc([C@H](N)[C@@H](C)C(=O)[O-])o1 259334671 573122739 /nfs/dbraw/zinc/12/27/39/573122739.db2.gz LHQXRIOIBVGTTG-HTRCEHHLSA-N -1 3 183.207 1.309 10 0 ADAEHM Cc1ccc([C@H](N)[C@H](C)C(=O)[O-])o1 259334675 573123445 /nfs/dbraw/zinc/12/34/45/573123445.db2.gz LHQXRIOIBVGTTG-POYBYMJQSA-N -1 3 183.207 1.309 10 0 ADAEHM CC[C@@H](N)c1ccc([O-])c(Cl)n1 238280760 573124549 /nfs/dbraw/zinc/12/45/49/573124549.db2.gz RFOQDYYWVCOZDD-RXMQYKEDSA-N -1 3 186.642 1.850 10 0 ADAEHM CCOc1ccc(NC(=O)N[O-])cc1 238288845 573124699 /nfs/dbraw/zinc/12/46/99/573124699.db2.gz NHXITLYIPQLVDG-UHFFFAOYSA-N -1 3 196.206 1.596 10 0 ADAEHM COc1cc(F)c([O-])cc1CC(C)=O 257949646 573125861 /nfs/dbraw/zinc/12/58/61/573125861.db2.gz AUPTVZLGSMSOHU-UHFFFAOYSA-N -1 3 198.193 1.671 10 0 ADAEHM NC1(c2cc([O-])ccc2C=O)CCC1 257949628 573126078 /nfs/dbraw/zinc/12/60/78/573126078.db2.gz AUFUCFMXHHZSLT-UHFFFAOYSA-N -1 3 191.230 1.543 10 0 ADAEHM Cc1ccc([C@@H](N)[C@H](C)C(=O)[O-])o1 259334682 573126468 /nfs/dbraw/zinc/12/64/68/573126468.db2.gz LHQXRIOIBVGTTG-XPUUQOCRSA-N -1 3 183.207 1.309 10 0 ADAEHM CCc1ncc(C(C)=O)cc1[O-] 238282290 573126854 /nfs/dbraw/zinc/12/68/54/573126854.db2.gz PPOAAOUPWBDTTP-UHFFFAOYSA-N -1 3 165.192 1.552 10 0 ADAEHM CCc1[n-]c(=O)n2c1C(C)=C(C)C2=O 238281650 573126869 /nfs/dbraw/zinc/12/68/69/573126869.db2.gz XYECIUTZVVPDBU-UHFFFAOYSA-N -1 3 192.218 1.186 10 0 ADAEHM Cc1ccc([C@@H](N)[C@@H](C)C(=O)[O-])o1 259334678 573126872 /nfs/dbraw/zinc/12/68/72/573126872.db2.gz LHQXRIOIBVGTTG-SVRRBLITSA-N -1 3 183.207 1.309 10 0 ADAEHM CC[C@](C)(F)c1cc(=O)[n-]cn1 144084707 573127113 /nfs/dbraw/zinc/12/71/13/573127113.db2.gz BAQCFEIHRIZLKN-QMMMGPOBSA-N -1 3 170.187 1.365 10 0 ADAEHM CC[C@@H]1C(=O)[N-]C(=O)O[C@@H]1CC(C)C 238283146 573127172 /nfs/dbraw/zinc/12/71/72/573127172.db2.gz KPZTXWGILMALQT-JGVFFNPUSA-N -1 3 199.250 1.694 10 0 ADAEHM CCn1[n-]c(C(C)C)c(CN)c1=O 257949455 573127174 /nfs/dbraw/zinc/12/71/74/573127174.db2.gz MEYGEGPFVPXVRO-UHFFFAOYSA-N -1 3 183.255 1.191 10 0 ADAEHM CC[C@@H](N)C(=O)c1ccc([O-])cc1 74305258 573127945 /nfs/dbraw/zinc/12/79/45/573127945.db2.gz HFVDJAYPIZKPKF-SECBINFHSA-N -1 3 179.219 1.312 10 0 ADAEHM Cc1cc(C=O)cc([O-])c1F 258532616 573128015 /nfs/dbraw/zinc/12/80/15/573128015.db2.gz NLLUXPIHMLJOJL-UHFFFAOYSA-N -1 3 154.140 1.652 10 0 ADAEHM CCc1ccc(O)c(C=O)c1[O-] 238282934 573128590 /nfs/dbraw/zinc/12/85/90/573128590.db2.gz PJAGJJSDAFOJSI-UHFFFAOYSA-N -1 3 166.176 1.473 10 0 ADAEHM CC[C@@H](N)C(=O)c1cccc([O-])c1 74305261 573129536 /nfs/dbraw/zinc/12/95/36/573129536.db2.gz LQFNXOWSDIKHGC-SECBINFHSA-N -1 3 179.219 1.312 10 0 ADAEHM Nc1cnc(Oc2ccccc2[O-])o1 257950792 573129539 /nfs/dbraw/zinc/12/95/39/573129539.db2.gz XAGMWMUNSRUOOZ-UHFFFAOYSA-N -1 3 192.174 1.755 10 0 ADAEHM CCn1ccnc1C(Cl)=N[O-] 395363141 573129815 /nfs/dbraw/zinc/12/98/15/573129815.db2.gz YBLKRMQBSNOPJQ-UHFFFAOYSA-N -1 3 173.603 1.278 10 0 ADAEHM Cn1ncc([O-])c1C1CC1 258534029 573130393 /nfs/dbraw/zinc/13/03/93/573130393.db2.gz NTVPZIVNGVYQJK-UHFFFAOYSA-N -1 3 138.170 1.003 10 0 ADAEHM Cc1cc(F)cc2c1C(=O)C(=O)[N-]2 85730515 573131131 /nfs/dbraw/zinc/13/11/31/573131131.db2.gz SPZDDYCNINWHCA-UHFFFAOYSA-N -1 3 179.150 1.269 10 0 ADAEHM COc1c(CO)ccc(F)c1[O-] 257952110 573131852 /nfs/dbraw/zinc/13/18/52/573131852.db2.gz FTTQGEXHGJKOFQ-UHFFFAOYSA-N -1 3 172.155 1.032 10 0 ADAEHM CC[C@H](C)c1ncncc1[O-] 238283476 573132591 /nfs/dbraw/zinc/13/25/91/573132591.db2.gz SIQNBRRVIYWKSU-LURJTMIESA-N -1 3 152.197 1.696 10 0 ADAEHM CC(=O)Cc1ncc2c([O-])cccn12 258535517 573134679 /nfs/dbraw/zinc/13/46/79/573134679.db2.gz MZUCLTDBCHPCHE-UHFFFAOYSA-N -1 3 190.202 1.171 10 0 ADAEHM Nc1cc(-c2cc([O-])ccc2F)on1 257951726 573135824 /nfs/dbraw/zinc/13/58/24/573135824.db2.gz AYXIZWXDNGUUSD-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM C[C@@H](N)c1c(F)cccc1C(=O)[O-] 104662005 573136353 /nfs/dbraw/zinc/13/63/53/573136353.db2.gz WCKPCDAGPAFSEX-RXMQYKEDSA-N -1 3 183.182 1.544 10 0 ADAEHM Cc1ccnc([C@@H](C)N)c1C(=O)[O-] 104660792 573138033 /nfs/dbraw/zinc/13/80/33/573138033.db2.gz QDZZHAWYMCKMON-ZCFIWIBFSA-N -1 3 180.207 1.108 10 0 ADAEHM CCc1c2c([O-])cccc2nn1C 257956467 573138055 /nfs/dbraw/zinc/13/80/55/573138055.db2.gz WWWSTVDVKUXQAE-UHFFFAOYSA-N -1 3 176.219 1.841 10 0 ADAEHM CN[C@](C)(CC(=O)[O-])c1ccc(C)o1 107187457 573139037 /nfs/dbraw/zinc/13/90/37/573139037.db2.gz FUFFXUYYOKWWOF-SNVBAGLBSA-N -1 3 197.234 1.497 10 0 ADAEHM CCc1oc(=S)[n-]c1C 114925438 573139461 /nfs/dbraw/zinc/13/94/61/573139461.db2.gz RBQPLFALBQVKSP-UHFFFAOYSA-N -1 3 143.211 1.834 10 0 ADAEHM CCn1c(C)nc2c(N)c([O-])ccc21 238289785 573139497 /nfs/dbraw/zinc/13/94/97/573139497.db2.gz QMNPUWCYSRZWBU-UHFFFAOYSA-N -1 3 191.234 1.652 10 0 ADAEHM CCc1noc(-c2cncc([O-])c2)n1 82644436 573139580 /nfs/dbraw/zinc/13/95/80/573139580.db2.gz FJWGGZHOVHZQRW-UHFFFAOYSA-N -1 3 191.190 1.400 10 0 ADAEHM [O-]c1ccccc1C1(F)CNC1 258537569 573139813 /nfs/dbraw/zinc/13/98/13/573139813.db2.gz OCWORGSNJPYEPS-UHFFFAOYSA-N -1 3 167.183 1.160 10 0 ADAEHM CC[C@@H]1OC(=O)[N-]C(=O)C1(CC)CC 238289720 573139859 /nfs/dbraw/zinc/13/98/59/573139859.db2.gz ULNKQINULMPXDA-ZETCQYMHSA-N -1 3 199.250 1.838 10 0 ADAEHM S=c1[n-]c2c(o1)CCCC2 114922498 573140495 /nfs/dbraw/zinc/14/04/95/573140495.db2.gz XMUDCLOLWTXZJS-UHFFFAOYSA-N -1 3 155.222 1.842 10 0 ADAEHM COCc1oc(=S)[n-]c1C 114925251 573140557 /nfs/dbraw/zinc/14/05/57/573140557.db2.gz UVRRJZBGJDFCRZ-UHFFFAOYSA-N -1 3 159.210 1.418 10 0 ADAEHM Cn1ccc2cccc([O-])c2c1=O 257956474 573140701 /nfs/dbraw/zinc/14/07/01/573140701.db2.gz CYZHTBGVJBFEKN-UHFFFAOYSA-N -1 3 175.187 1.244 10 0 ADAEHM CC[C@H]1CCC(=O)C(C)=C1[O-] 238289547 573140708 /nfs/dbraw/zinc/14/07/08/573140708.db2.gz BOMBXEUKFJKRDK-BQBZGAKWSA-N -1 3 154.209 1.581 10 0 ADAEHM COC(=O)/C=C/c1ccc(F)cc1[O-] 114920681 573141031 /nfs/dbraw/zinc/14/10/31/573141031.db2.gz PARAVCOLJKWJFO-HWKANZROSA-N -1 3 196.177 1.718 10 0 ADAEHM Cn1[n-]cc2c(=O)ccc(F)c1-2 258548068 573141476 /nfs/dbraw/zinc/14/14/76/573141476.db2.gz PCWGIJKIKCFCBK-UHFFFAOYSA-N -1 3 166.155 1.418 10 0 ADAEHM CC[C@H]1CCC(=O)C(C)=C1[O-] 238289455 573141548 /nfs/dbraw/zinc/14/15/48/573141548.db2.gz BOMBXEUKFJKRDK-RQJHMYQMSA-N -1 3 154.209 1.581 10 0 ADAEHM CC[C@@H](N)c1ccc(C(=O)[O-])o1 104664891 573141974 /nfs/dbraw/zinc/14/19/74/573141974.db2.gz JTXKAXHLTJKCCD-RXMQYKEDSA-N -1 3 169.180 1.388 10 0 ADAEHM Cc1cc([C@H](N)C(=O)[O-])cs1 104664491 573142266 /nfs/dbraw/zinc/14/22/66/573142266.db2.gz NCGZEMQUQOIWNT-LURJTMIESA-N -1 3 171.221 1.141 10 0 ADAEHM CC[C@H](C)c1c(C)[n-][nH]c1=O 238299780 573142486 /nfs/dbraw/zinc/14/24/86/573142486.db2.gz DBJCQMJEYDPJEC-FSPLSTOPSA-N -1 3 154.213 1.154 10 0 ADAEHM Cc1ccc([O-])c(F)c1C=O 258548122 573142554 /nfs/dbraw/zinc/14/25/54/573142554.db2.gz PDIIDPRZPZNLOY-UHFFFAOYSA-N -1 3 154.140 1.652 10 0 ADAEHM CCOc1ccc([O-])c2ncncc12 238291190 573143223 /nfs/dbraw/zinc/14/32/23/573143223.db2.gz FJJMZPAUMGZYNE-UHFFFAOYSA-N -1 3 190.202 1.734 10 0 ADAEHM CCCc1nc2c(c(=O)[n-]1)CCCN2 82664016 573143481 /nfs/dbraw/zinc/14/34/81/573143481.db2.gz BYCJTPJCVBGIQU-UHFFFAOYSA-N -1 3 193.250 1.081 10 0 ADAEHM CCc1nnc([N-]N=O)s1 238290394 573143522 /nfs/dbraw/zinc/14/35/22/573143522.db2.gz WCRMUPAXJDWAPN-UHFFFAOYSA-N -1 3 158.186 1.194 10 0 ADAEHM CC(=O)[C@@H](N)c1ccc(F)c([O-])c1 104662834 573144610 /nfs/dbraw/zinc/14/46/10/573144610.db2.gz WDRPCDWLMKLWEE-SECBINFHSA-N -1 3 183.182 1.120 10 0 ADAEHM CCO[C@H]([O-])C(F)(F)Cl 238291206 573144704 /nfs/dbraw/zinc/14/47/04/573144704.db2.gz JXRDPUXAFJPBPU-VKHMYHEASA-N -1 3 160.547 1.173 10 0 ADAEHM CC(=O)[C@H](N)c1cc([O-])cc(F)c1 104662839 573144795 /nfs/dbraw/zinc/14/47/95/573144795.db2.gz FQDVMVBHZGBGCT-VIFPVBQESA-N -1 3 183.182 1.120 10 0 ADAEHM CC[C@H](N)c1cccc(C(=O)[O-])n1 104665261 573145117 /nfs/dbraw/zinc/14/51/17/573145117.db2.gz BNTDMOYUWITUGC-LURJTMIESA-N -1 3 180.207 1.190 10 0 ADAEHM CC(=O)[C@H](N)c1ccc(F)c([O-])c1 104662830 573145190 /nfs/dbraw/zinc/14/51/90/573145190.db2.gz WDRPCDWLMKLWEE-VIFPVBQESA-N -1 3 183.182 1.120 10 0 ADAEHM CC(C)(C(=O)[O-])[C@H](N)c1ccco1 104664303 573145504 /nfs/dbraw/zinc/14/55/04/573145504.db2.gz QSBCASGHGWOJEY-SSDOTTSWSA-N -1 3 183.207 1.390 10 0 ADAEHM N[C@@H]1COc2cc([S-])ccc21 104665922 573145966 /nfs/dbraw/zinc/14/59/66/573145966.db2.gz YCSOFNSFPLAERM-SSDOTTSWSA-N -1 3 167.233 1.368 10 0 ADAEHM CC(C)Cc1c([O-])cnn1C 258550941 573146337 /nfs/dbraw/zinc/14/63/37/573146337.db2.gz PJPIUJXVSNTGKM-UHFFFAOYSA-N -1 3 154.213 1.324 10 0 ADAEHM N[C@H](c1ccc(C(=O)[O-])o1)C1CC1 104664907 573146443 /nfs/dbraw/zinc/14/64/43/573146443.db2.gz IVLLCEVDBRHTRA-QMMMGPOBSA-N -1 3 181.191 1.388 10 0 ADAEHM CCOc1ccc([O-])c2c1CCC2=O 238290933 573147196 /nfs/dbraw/zinc/14/71/96/573147196.db2.gz KFYGOKZPIGIHRI-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CC[C@@H]1OC(=O)C(C)=C([O-])[C@@H]1C 238290078 573147650 /nfs/dbraw/zinc/14/76/50/573147650.db2.gz WENGDWLJTQGDNF-QYNIQEEDSA-N -1 3 170.208 1.163 10 0 ADAEHM CN(N)Cc1cc([O-])ccc1Cl 238290745 573147673 /nfs/dbraw/zinc/14/76/73/573147673.db2.gz RUQJXWSRZHHMAZ-UHFFFAOYSA-N -1 3 186.642 1.351 10 0 ADAEHM CC(=O)[C@@H](N)c1cc([O-])cc(F)c1 104662841 573147709 /nfs/dbraw/zinc/14/77/09/573147709.db2.gz FQDVMVBHZGBGCT-SECBINFHSA-N -1 3 183.182 1.120 10 0 ADAEHM Cc1ncc(-c2ccco2)c(=O)[n-]1 258541992 573148937 /nfs/dbraw/zinc/14/89/37/573148937.db2.gz NPRJNSBQQGNVFQ-UHFFFAOYSA-N -1 3 176.175 1.751 10 0 ADAEHM [O-]c1ccccc1-c1cc(CO)no1 259346179 573149453 /nfs/dbraw/zinc/14/94/53/573149453.db2.gz UCIKUFAAMHYCIJ-UHFFFAOYSA-N -1 3 191.186 1.540 10 0 ADAEHM CC(=O)[C@H](N)c1ccc([O-])cc1F 104667801 573149587 /nfs/dbraw/zinc/14/95/87/573149587.db2.gz OVZHMHAPRYXGHQ-VIFPVBQESA-N -1 3 183.182 1.120 10 0 ADAEHM Cc1c(N)nc(CC(C)(C)C)[n-]c1=O 82673440 573150740 /nfs/dbraw/zinc/15/07/40/573150740.db2.gz JSRFOEAPDTZPFF-UHFFFAOYSA-N -1 3 195.266 1.249 10 0 ADAEHM O=C([O-])c1ccc([C@@H]2CCN2)o1 104666110 573151989 /nfs/dbraw/zinc/15/19/89/573151989.db2.gz MEEDGJRYNOCOBF-YFKPBYRVSA-N -1 3 167.164 1.012 10 0 ADAEHM CCc1cc(=O)[n-]c(CC(C)(C)C)n1 82673459 573152543 /nfs/dbraw/zinc/15/25/43/573152543.db2.gz RDTIUXZUVCYZAK-UHFFFAOYSA-N -1 3 194.278 1.921 10 0 ADAEHM CC[C@H](N)c1cc(C(=O)[O-])ccn1 104666494 573152495 /nfs/dbraw/zinc/15/24/95/573152495.db2.gz JZQAKUIFPDOGOC-ZETCQYMHSA-N -1 3 180.207 1.190 10 0 ADAEHM CC(=O)[C@@H](N)c1ccc([O-])cc1F 104667805 573153084 /nfs/dbraw/zinc/15/30/84/573153084.db2.gz OVZHMHAPRYXGHQ-SECBINFHSA-N -1 3 183.182 1.120 10 0 ADAEHM C[C@H](N)c1c(F)cccc1C(=O)[O-] 104667542 573154690 /nfs/dbraw/zinc/15/46/90/573154690.db2.gz WCKPCDAGPAFSEX-YFKPBYRVSA-N -1 3 183.182 1.544 10 0 ADAEHM Cc1c([O-])nc(CC(C)(C)C)[nH]c1=O 82673481 573155273 /nfs/dbraw/zinc/15/52/73/573155273.db2.gz ZTYOBXPFWMQJEM-UHFFFAOYSA-N -1 3 196.250 1.373 10 0 ADAEHM CCOC(=O)c1cc2ocnc2[n-]1 238293043 573155302 /nfs/dbraw/zinc/15/53/02/573155302.db2.gz BGAYHKPTXYRHPF-UHFFFAOYSA-N -1 3 180.163 1.333 10 0 ADAEHM CCSc1cc(=O)[n-]c(CC)n1 238293571 573155786 /nfs/dbraw/zinc/15/57/86/573155786.db2.gz YTHAAPBRQRSKPX-UHFFFAOYSA-N -1 3 184.264 1.444 10 0 ADAEHM Cc1nc(CC(C)(C)C)[n-]c(=O)c1C 82673462 573155867 /nfs/dbraw/zinc/15/58/67/573155867.db2.gz SCJMRXJBKOLUEC-UHFFFAOYSA-N -1 3 194.278 1.975 10 0 ADAEHM CC(=O)[C@H](N)c1ccc([O-])c(F)c1 104670923 573157410 /nfs/dbraw/zinc/15/74/10/573157410.db2.gz CTXMMBSXARAVHT-VIFPVBQESA-N -1 3 183.182 1.120 10 0 ADAEHM N[C@@H]1COc2c([S-])cccc21 104670321 573157452 /nfs/dbraw/zinc/15/74/52/573157452.db2.gz HOWFFSFHWUJMAE-ZCFIWIBFSA-N -1 3 167.233 1.368 10 0 ADAEHM CCSc1cc(=O)[n-]c(C)n1 238293552 573158144 /nfs/dbraw/zinc/15/81/44/573158144.db2.gz YZYNYCIVZLGBMX-UHFFFAOYSA-N -1 3 170.237 1.190 10 0 ADAEHM N[C@H]1COc2ccc([S-])cc21 104672167 573158435 /nfs/dbraw/zinc/15/84/35/573158435.db2.gz CHLDVPUFUXDTFQ-ZETCQYMHSA-N -1 3 167.233 1.368 10 0 ADAEHM Nc1c(C2CC2)[n-]n(C2CC2)c1=O 642856458 573159638 /nfs/dbraw/zinc/15/96/38/573159638.db2.gz VYADBWORHWLVFH-UHFFFAOYSA-N -1 3 179.223 1.383 10 0 ADAEHM Cc1cc([C@@H](N)C(=O)[O-])cs1 104670717 573159930 /nfs/dbraw/zinc/15/99/30/573159930.db2.gz NCGZEMQUQOIWNT-ZCFIWIBFSA-N -1 3 171.221 1.141 10 0 ADAEHM N[C@H](/C=C/C(=O)[O-])c1ccccc1 259350466 573158958 /nfs/dbraw/zinc/15/89/58/573158958.db2.gz JUGJEZDQBPZIAY-XCODYQFDSA-N -1 3 177.203 1.327 10 0 ADAEHM CC(=O)[C@@H](N)c1ccc([O-])c(F)c1 104670927 573159954 /nfs/dbraw/zinc/15/99/54/573159954.db2.gz CTXMMBSXARAVHT-SECBINFHSA-N -1 3 183.182 1.120 10 0 ADAEHM Cc1ncc(-c2n[n-]c(=S)o2)s1 82688943 573159242 /nfs/dbraw/zinc/15/92/42/573159242.db2.gz AHYATDHOTMKBIE-UHFFFAOYSA-N -1 3 199.260 1.790 10 0 ADAEHM N[C@@H](/C=C/C(=O)[O-])c1ccccc1 259350464 573159405 /nfs/dbraw/zinc/15/94/05/573159405.db2.gz JUGJEZDQBPZIAY-UCUJLANTSA-N -1 3 177.203 1.327 10 0 ADAEHM Cc1cc2c(cc1[O-])CCC2=O 115074734 573160486 /nfs/dbraw/zinc/16/04/86/573160486.db2.gz OMUNHVNFIJYFFA-UHFFFAOYSA-N -1 3 162.188 1.830 10 0 ADAEHM CC([O-])=C(F)C(=O)C(C)(C)C 115080003 573160504 /nfs/dbraw/zinc/16/05/04/573160504.db2.gz QYTQKFOJBKOKRY-ZCFIWIBFSA-N -1 3 160.188 1.529 10 0 ADAEHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)C 85828032 573161843 /nfs/dbraw/zinc/16/18/43/573161843.db2.gz BPWOJMXFPUZFLZ-ZCFIWIBFSA-N -1 3 183.207 1.600 10 0 ADAEHM [O-]c1cc(F)ccc1OC[C@@H]1CO1 115105474 573161873 /nfs/dbraw/zinc/16/18/73/573161873.db2.gz OEJGZWLQRZJDNA-ZETCQYMHSA-N -1 3 184.166 1.309 10 0 ADAEHM Cc1ccc([C@](C)(N)C(=O)[O-])cc1F 82703868 573162118 /nfs/dbraw/zinc/16/21/18/573162118.db2.gz LGBHJPZMKHJPQB-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM N[C@H]1COc2cc([S-])ccc21 104670411 573162214 /nfs/dbraw/zinc/16/22/14/573162214.db2.gz YCSOFNSFPLAERM-ZETCQYMHSA-N -1 3 167.233 1.368 10 0 ADAEHM Cn1cncc1-c1ccc([O-])c(F)c1 115137981 573162304 /nfs/dbraw/zinc/16/23/04/573162304.db2.gz XCQUKADRYHZTGU-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM CC([O-])=C(F)C(=O)C(C)(C)C 115080005 573163418 /nfs/dbraw/zinc/16/34/18/573163418.db2.gz QYTQKFOJBKOKRY-LURJTMIESA-N -1 3 160.188 1.529 10 0 ADAEHM [O-]c1cc(F)ccc1OC[C@H]1CO1 115105475 573164356 /nfs/dbraw/zinc/16/43/56/573164356.db2.gz OEJGZWLQRZJDNA-SSDOTTSWSA-N -1 3 184.166 1.309 10 0 ADAEHM [O-]c1ccc(SCCO)cc1F 115141878 573164438 /nfs/dbraw/zinc/16/44/38/573164438.db2.gz CSCXQYFLVOVDMY-UHFFFAOYSA-N -1 3 188.223 1.616 10 0 ADAEHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C 85828028 573164834 /nfs/dbraw/zinc/16/48/34/573164834.db2.gz BPWOJMXFPUZFLZ-LURJTMIESA-N -1 3 183.207 1.600 10 0 ADAEHM CC[C@@H]1CCC(=O)C(C)=C1[O-] 238303423 573167898 /nfs/dbraw/zinc/16/78/98/573167898.db2.gz BOMBXEUKFJKRDK-NKWVEPMBSA-N -1 3 154.209 1.581 10 0 ADAEHM CC(=O)c1ncc2ccc([O-])cn12 257957573 573165560 /nfs/dbraw/zinc/16/55/60/573165560.db2.gz WZVSVWWPFQJWNB-UHFFFAOYSA-N -1 3 176.175 1.243 10 0 ADAEHM CCCSc1cc(C)nc(=NN)[n-]1 82707655 573166279 /nfs/dbraw/zinc/16/62/79/573166279.db2.gz UBIXFTDZFSLCGW-UHFFFAOYSA-N -1 3 198.295 1.573 10 0 ADAEHM CCON=C(N)c1ccccc1[O-] 238298504 573168098 /nfs/dbraw/zinc/16/80/98/573168098.db2.gz FVOUWIVXHQPKKL-UHFFFAOYSA-N -1 3 180.207 1.259 10 0 ADAEHM CC[C@@H]1CCC([O-])=C(C)C1=O 238303423 573167901 /nfs/dbraw/zinc/16/79/01/573167901.db2.gz BOMBXEUKFJKRDK-NKWVEPMBSA-N -1 3 154.209 1.581 10 0 ADAEHM [O-]C(=CC1=NCCO1)c1cccs1 259350784 573169021 /nfs/dbraw/zinc/16/90/21/573169021.db2.gz VUOYUIHMFOWMRV-UHFFFAOYSA-N -1 3 195.243 1.750 10 0 ADAEHM Cc1cc(C(=O)[O-])cc2c1[C@H](N)CO2 104675534 573169576 /nfs/dbraw/zinc/16/95/76/573169576.db2.gz YCKPPZYOYXHLGU-SSDOTTSWSA-N -1 3 193.202 1.085 10 0 ADAEHM COc1c(CNO)ccc(F)c1[O-] 257958224 573169594 /nfs/dbraw/zinc/16/95/94/573169594.db2.gz BPQRJJYCGBHIJV-UHFFFAOYSA-N -1 3 187.170 1.019 10 0 ADAEHM Cc1cc2c(cc1C(=O)[O-])OC[C@H]2N 104675540 573169794 /nfs/dbraw/zinc/16/97/94/573169794.db2.gz OSYYHTPZNOSZSU-MRVPVSSYSA-N -1 3 193.202 1.085 10 0 ADAEHM CCc1c(C)cccc1[C@H](N)C(=O)[O-] 104677388 573170064 /nfs/dbraw/zinc/17/00/64/573170064.db2.gz BVKAJVLOFWVZCO-JTQLQIEISA-N -1 3 193.246 1.642 10 0 ADAEHM Cc1ccnc([C@@H]2CCN2)c1C(=O)[O-] 104677965 573170568 /nfs/dbraw/zinc/17/05/68/573170568.db2.gz CPECFGOHHZPDPU-ZETCQYMHSA-N -1 3 192.218 1.123 10 0 ADAEHM Cc1cc2c(cc1C(=O)[O-])OC[C@@H]2N 104675537 573170672 /nfs/dbraw/zinc/17/06/72/573170672.db2.gz OSYYHTPZNOSZSU-QMMMGPOBSA-N -1 3 193.202 1.085 10 0 ADAEHM O=C([O-])c1ccc(F)c([C@H]2CCN2)c1 104677640 573170650 /nfs/dbraw/zinc/17/06/50/573170650.db2.gz OFBVTEXPCZHBEO-SECBINFHSA-N -1 3 195.193 1.558 10 0 ADAEHM N[C@H](c1ccc(C(=O)[O-])cn1)C1CC1 104678624 573170661 /nfs/dbraw/zinc/17/06/61/573170661.db2.gz GIONBDYFESIOGY-VIFPVBQESA-N -1 3 192.218 1.190 10 0 ADAEHM CN(C)CC(=O)c1cccc([O-])c1 104675866 573170699 /nfs/dbraw/zinc/17/06/99/573170699.db2.gz ZRGRDCVIMWXASI-UHFFFAOYSA-N -1 3 179.219 1.137 10 0 ADAEHM Cc1ccnc([C@H]2CCN2)c1C(=O)[O-] 104677968 573171003 /nfs/dbraw/zinc/17/10/03/573171003.db2.gz CPECFGOHHZPDPU-SSDOTTSWSA-N -1 3 192.218 1.123 10 0 ADAEHM Cc1cc(C(=O)[O-])cc2c1[C@@H](N)CO2 104675536 573171284 /nfs/dbraw/zinc/17/12/84/573171284.db2.gz YCKPPZYOYXHLGU-ZETCQYMHSA-N -1 3 193.202 1.085 10 0 ADAEHM N[C@H]1CCOc2cc(C(=O)[O-])ccc21 104676323 573171298 /nfs/dbraw/zinc/17/12/98/573171298.db2.gz FNENGAZBLZPVGV-QMMMGPOBSA-N -1 3 193.202 1.167 10 0 ADAEHM Cc1ccnc([C@](C)(N)CC(=O)[O-])c1 104675727 573171445 /nfs/dbraw/zinc/17/14/45/573171445.db2.gz CBRGRUAUNCUQRV-SNVBAGLBSA-N -1 3 194.234 1.039 10 0 ADAEHM O=C([O-])c1cccc(F)c1[C@H]1CCN1 104675818 573171489 /nfs/dbraw/zinc/17/14/89/573171489.db2.gz ALENHEMSBWXLHL-MRVPVSSYSA-N -1 3 195.193 1.558 10 0 ADAEHM CC(C)(O)c1c(F)ccc([O-])c1F 257958203 573172204 /nfs/dbraw/zinc/17/22/04/573172204.db2.gz BPAVVHGGCRCSEX-UHFFFAOYSA-N -1 3 188.173 1.898 10 0 ADAEHM CC[C@@H]1CCC(=O)C(C)=C1[O-] 238303313 573172226 /nfs/dbraw/zinc/17/22/26/573172226.db2.gz BOMBXEUKFJKRDK-RNFRBKRXSA-N -1 3 154.209 1.581 10 0 ADAEHM CC[C@@H]1CCC([O-])=C(C)C1=O 238303313 573172232 /nfs/dbraw/zinc/17/22/32/573172232.db2.gz BOMBXEUKFJKRDK-RNFRBKRXSA-N -1 3 154.209 1.581 10 0 ADAEHM COc1ccc(CNO)c(F)c1[O-] 257958167 573172335 /nfs/dbraw/zinc/17/23/35/573172335.db2.gz BNRPZVYRIXIDQX-UHFFFAOYSA-N -1 3 187.170 1.019 10 0 ADAEHM O=C([O-])c1ccc(F)c([C@@H]2CCN2)c1 104677637 573172610 /nfs/dbraw/zinc/17/26/10/573172610.db2.gz OFBVTEXPCZHBEO-VIFPVBQESA-N -1 3 195.193 1.558 10 0 ADAEHM COc1cc(F)c([O-])cc1CNO 257958184 573172681 /nfs/dbraw/zinc/17/26/81/573172681.db2.gz BOKUDUHOYBTRHA-UHFFFAOYSA-N -1 3 187.170 1.019 10 0 ADAEHM CC[C@H](N)c1nccc(C)c1C(=O)[O-] 104678894 573173766 /nfs/dbraw/zinc/17/37/66/573173766.db2.gz XMCINZXSWQHEOS-ZETCQYMHSA-N -1 3 194.234 1.498 10 0 ADAEHM CNCC(=O)c1cc([O-])cc(C)c1F 257958163 573174368 /nfs/dbraw/zinc/17/43/68/573174368.db2.gz BNQLKEWCXFNILP-UHFFFAOYSA-N -1 3 197.209 1.242 10 0 ADAEHM Cc1ccnc([C@@](C)(N)CC(=O)[O-])c1 104675728 573174415 /nfs/dbraw/zinc/17/44/15/573174415.db2.gz CBRGRUAUNCUQRV-JTQLQIEISA-N -1 3 194.234 1.039 10 0 ADAEHM O=C([O-])c1ccc([C@H]2CCN2)c(F)c1 104676675 573174644 /nfs/dbraw/zinc/17/46/44/573174644.db2.gz XZWSSYUHMBKXLG-SECBINFHSA-N -1 3 195.193 1.558 10 0 ADAEHM CC[C@]1(C)C[C@@H](C)C(=O)C=C1[O-] 238304937 573174766 /nfs/dbraw/zinc/17/47/66/573174766.db2.gz ZCGXUWJYKYEQGK-GMSGAONNSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@]1(C)C[C@@H](C)C([O-])=CC1=O 238304937 573174769 /nfs/dbraw/zinc/17/47/69/573174769.db2.gz ZCGXUWJYKYEQGK-GMSGAONNSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@@H](N)c1nccc(C)c1C(=O)[O-] 104678895 573174857 /nfs/dbraw/zinc/17/48/57/573174857.db2.gz XMCINZXSWQHEOS-SSDOTTSWSA-N -1 3 194.234 1.498 10 0 ADAEHM O=C([O-])c1ccc([C@@H]2CCN2)c(F)c1 104676671 573175136 /nfs/dbraw/zinc/17/51/36/573175136.db2.gz XZWSSYUHMBKXLG-VIFPVBQESA-N -1 3 195.193 1.558 10 0 ADAEHM CCc1c([O-])cncc1C(C)=O 238304815 573177276 /nfs/dbraw/zinc/17/72/76/573177276.db2.gz HIXXNAIJPJDFKE-UHFFFAOYSA-N -1 3 165.192 1.552 10 0 ADAEHM CCc1c([O-])cncc1C=O 238304843 573175951 /nfs/dbraw/zinc/17/59/51/573175951.db2.gz XIYFCUFVINFHLH-UHFFFAOYSA-N -1 3 151.165 1.162 10 0 ADAEHM Cc1ccc(CCON)c([O-])c1F 257960343 573176056 /nfs/dbraw/zinc/17/60/56/573176056.db2.gz BSGVFWPSXWJCSX-UHFFFAOYSA-N -1 3 185.198 1.273 10 0 ADAEHM COc1c([O-])cc(C)c2c1CCC2=O 104680705 573176416 /nfs/dbraw/zinc/17/64/16/573176416.db2.gz FOMXPXQTYQEIAS-UHFFFAOYSA-N -1 3 192.214 1.838 10 0 ADAEHM Cc1ncc(-c2ccncc2)c(=O)[n-]1 258565790 573176484 /nfs/dbraw/zinc/17/64/84/573176484.db2.gz PNRNWMGWFRLYNI-UHFFFAOYSA-N -1 3 187.202 1.553 10 0 ADAEHM NOCc1ccc(Cl)cc1[O-] 257959966 573176629 /nfs/dbraw/zinc/17/66/29/573176629.db2.gz GTDNUIHLPUMWMP-UHFFFAOYSA-N -1 3 173.599 1.436 10 0 ADAEHM Cc1cc2c(c(C)c1[O-])OCCC2=O 104681395 573176754 /nfs/dbraw/zinc/17/67/54/573176754.db2.gz CIAWBHRPHVSGHO-UHFFFAOYSA-N -1 3 192.214 1.974 10 0 ADAEHM CC(C)[C@H](N)c1cc(C(=O)[O-])ccn1 104680217 573176879 /nfs/dbraw/zinc/17/68/79/573176879.db2.gz DQJSCXWIANQBIJ-VIFPVBQESA-N -1 3 194.234 1.436 10 0 ADAEHM N[C@H](c1cc(C(=O)[O-])ccn1)C1CC1 104679355 573176953 /nfs/dbraw/zinc/17/69/53/573176953.db2.gz AUBOFOBIIWHHPX-VIFPVBQESA-N -1 3 192.218 1.190 10 0 ADAEHM CC(C)[C@H](N)c1ncccc1C(=O)[O-] 104680946 573176964 /nfs/dbraw/zinc/17/69/64/573176964.db2.gz BNGOLDPESKSHDS-QMMMGPOBSA-N -1 3 194.234 1.436 10 0 ADAEHM CCc1c(C)cccc1[C@@H](N)C(=O)[O-] 104680113 573177026 /nfs/dbraw/zinc/17/70/26/573177026.db2.gz BVKAJVLOFWVZCO-SNVBAGLBSA-N -1 3 193.246 1.642 10 0 ADAEHM Cc1cccc([C@@](C)(N)C(=O)[O-])c1C 104680850 573177050 /nfs/dbraw/zinc/17/70/50/573177050.db2.gz YCKVZQLCEVIDCH-LLVKDONJSA-N -1 3 193.246 1.562 10 0 ADAEHM CCCC[N-]C(=O)C(F)(F)Cl 197169670 573177192 /nfs/dbraw/zinc/17/71/92/573177192.db2.gz OFWIPOHVMQXCJZ-UHFFFAOYSA-N -1 3 185.601 1.734 10 0 ADAEHM Cc1cc(C(=O)CN(C)C)ccc1[O-] 104679416 573177811 /nfs/dbraw/zinc/17/78/11/573177811.db2.gz NHPBFUXKJVFTBH-UHFFFAOYSA-N -1 3 193.246 1.445 10 0 ADAEHM N[C@H](c1cccc(C(=O)[O-])n1)C1CC1 104679343 573177941 /nfs/dbraw/zinc/17/79/41/573177941.db2.gz KUWVZLUHYFOKOZ-VIFPVBQESA-N -1 3 192.218 1.190 10 0 ADAEHM CC(C)(C(=O)[O-])[C@@H](N)c1ccccn1 104679582 573178122 /nfs/dbraw/zinc/17/81/22/573178122.db2.gz YTBANUDFIQICBE-QMMMGPOBSA-N -1 3 194.234 1.192 10 0 ADAEHM CCc1ccc(C)cc1[C@@H](N)C(=O)[O-] 104680094 573178525 /nfs/dbraw/zinc/17/85/25/573178525.db2.gz LHRWAYUVZOZBEO-SNVBAGLBSA-N -1 3 193.246 1.642 10 0 ADAEHM CC(C)(C(=O)[O-])[C@H](N)c1ccccn1 104679580 573178699 /nfs/dbraw/zinc/17/86/99/573178699.db2.gz YTBANUDFIQICBE-MRVPVSSYSA-N -1 3 194.234 1.192 10 0 ADAEHM C[C@H](NN(C)C)c1ccc([O-])cc1F 235507439 573178720 /nfs/dbraw/zinc/17/87/20/573178720.db2.gz XVRWWIGRUMDZIY-ZETCQYMHSA-N -1 3 198.241 1.659 10 0 ADAEHM COc1c([O-])ccc2c1CCCC2=O 104680710 573178738 /nfs/dbraw/zinc/17/87/38/573178738.db2.gz ZBIBUMYCHLIELM-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM COc1ccc(C([S-])N=O)cc1 104681169 573178856 /nfs/dbraw/zinc/17/88/56/573178856.db2.gz FRYKHOXCKSACLY-UHFFFAOYSA-N -1 3 183.232 1.350 10 0 ADAEHM C[C@H]1Sc2c([O-])cccc2NC1=O 259355952 573179615 /nfs/dbraw/zinc/17/96/15/573179615.db2.gz URGCBZIZVQOLNA-RXMQYKEDSA-N -1 3 195.243 1.825 10 0 ADAEHM [O-]c1ccc(F)c(F)c1CCCO 257960339 573179863 /nfs/dbraw/zinc/17/98/63/573179863.db2.gz BSCVHMFDYOIZFB-UHFFFAOYSA-N -1 3 188.173 1.595 10 0 ADAEHM CC[C@]1(C)C[C@H](C)C(=O)C=C1[O-] 238305451 573180413 /nfs/dbraw/zinc/18/04/13/573180413.db2.gz ZCGXUWJYKYEQGK-OIBJUYFYSA-N -1 3 168.236 1.971 10 0 ADAEHM CCc1ccccc1[C@@](C)(N)C(=O)[O-] 104682185 573180097 /nfs/dbraw/zinc/18/00/97/573180097.db2.gz AZHYKZPBXVRKKA-LLVKDONJSA-N -1 3 193.246 1.508 10 0 ADAEHM CC(C)[C@H](N)c1cccc(C(=O)[O-])n1 104680213 573180107 /nfs/dbraw/zinc/18/01/07/573180107.db2.gz QCQQXHYFYWBMFC-VIFPVBQESA-N -1 3 194.234 1.436 10 0 ADAEHM CC[C@]1(C)C[C@H](C)C([O-])=CC1=O 238305451 573180418 /nfs/dbraw/zinc/18/04/18/573180418.db2.gz ZCGXUWJYKYEQGK-OIBJUYFYSA-N -1 3 168.236 1.971 10 0 ADAEHM CC(C)[C@H](N)c1ccc(C(=O)[O-])cn1 104679585 573180964 /nfs/dbraw/zinc/18/09/64/573180964.db2.gz KUFKFZHQYYQKAU-VIFPVBQESA-N -1 3 194.234 1.436 10 0 ADAEHM N[C@H](c1ncccc1C(=O)[O-])C1CC1 104680015 573181128 /nfs/dbraw/zinc/18/11/28/573181128.db2.gz VDPCPRSVXMEFEF-QMMMGPOBSA-N -1 3 192.218 1.190 10 0 ADAEHM N[C@@H](c1cncc([O-])c1)C(F)(F)F 104681388 573181163 /nfs/dbraw/zinc/18/11/63/573181163.db2.gz LYSJFDJMKWQDGJ-LURJTMIESA-N -1 3 192.140 1.349 10 0 ADAEHM CC(C)(CC(=O)[O-])Nc1ccncc1 82771057 573181221 /nfs/dbraw/zinc/18/12/21/573181221.db2.gz XMJCEVLGGLILNZ-UHFFFAOYSA-N -1 3 194.234 1.747 10 0 ADAEHM C[C@@H]1C[C@@H]1COC(=O)c1cn[n-]c1 308295316 573181379 /nfs/dbraw/zinc/18/13/79/573181379.db2.gz JSMVURAVLXPKBN-RNFRBKRXSA-N -1 3 180.207 1.223 10 0 ADAEHM O=C([O-])c1cccc(F)c1[C@@H]1CCN1 104684947 573181857 /nfs/dbraw/zinc/18/18/57/573181857.db2.gz ALENHEMSBWXLHL-QMMMGPOBSA-N -1 3 195.193 1.558 10 0 ADAEHM COc1cc2c(cc1[O-])OCCC2=O 104685267 573182169 /nfs/dbraw/zinc/18/21/69/573182169.db2.gz RDTRLIQWKYRECM-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM C[C@H]1C[C@@H]1COC(=O)c1cn[n-]c1 308295315 573182241 /nfs/dbraw/zinc/18/22/41/573182241.db2.gz JSMVURAVLXPKBN-NKWVEPMBSA-N -1 3 180.207 1.223 10 0 ADAEHM [O-]c1cc(CNO)c(F)cc1F 257961508 573182315 /nfs/dbraw/zinc/18/23/15/573182315.db2.gz GWXWUJFVACQNNI-UHFFFAOYSA-N -1 3 175.134 1.149 10 0 ADAEHM O=C([O-])c1cccc([C@@H]2CCN2)c1F 104682889 573182377 /nfs/dbraw/zinc/18/23/77/573182377.db2.gz AOHIEECRAJWMQE-QMMMGPOBSA-N -1 3 195.193 1.558 10 0 ADAEHM Nc1oncc1-c1cc(F)ccc1[O-] 257962486 573182529 /nfs/dbraw/zinc/18/25/29/573182529.db2.gz BWRSADGGBAIBKH-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM CCc1cccc([C@](C)(N)C(=O)[O-])c1 104682735 573182589 /nfs/dbraw/zinc/18/25/89/573182589.db2.gz TXLQHNZQSFATQA-NSHDSACASA-N -1 3 193.246 1.508 10 0 ADAEHM C[C@@H]1Sc2c([O-])cccc2NC1=O 259355953 573184915 /nfs/dbraw/zinc/18/49/15/573184915.db2.gz URGCBZIZVQOLNA-YFKPBYRVSA-N -1 3 195.243 1.825 10 0 ADAEHM CCc1ccc(C)cc1[C@H](N)C(=O)[O-] 104684390 573184922 /nfs/dbraw/zinc/18/49/22/573184922.db2.gz LHRWAYUVZOZBEO-JTQLQIEISA-N -1 3 193.246 1.642 10 0 ADAEHM CC[C@@H]1C/C(=C\C(=O)[O-])CCN1C 238300406 573184952 /nfs/dbraw/zinc/18/49/52/573184952.db2.gz XUWSKNNQLGAMGM-UFGYOYAJSA-N -1 3 183.251 1.502 10 0 ADAEHM Cc1cccc(C)c1[C@](C)(N)C(=O)[O-] 104682745 573185334 /nfs/dbraw/zinc/18/53/34/573185334.db2.gz NDDHXPCEQSSVTE-NSHDSACASA-N -1 3 193.246 1.562 10 0 ADAEHM Cc1cccc(C)c1[C@@](C)(N)C(=O)[O-] 104682746 573185430 /nfs/dbraw/zinc/18/54/30/573185430.db2.gz NDDHXPCEQSSVTE-LLVKDONJSA-N -1 3 193.246 1.562 10 0 ADAEHM Cc1cccc([C@@](C)(N)CC(=O)[O-])n1 104685318 573186086 /nfs/dbraw/zinc/18/60/86/573186086.db2.gz SHQYVTDPTDVYLO-JTQLQIEISA-N -1 3 194.234 1.039 10 0 ADAEHM N[C@@H](c1ccc([O-])cn1)C(F)(F)F 104682639 573186318 /nfs/dbraw/zinc/18/63/18/573186318.db2.gz ZQQLHDWUJKWGKW-LURJTMIESA-N -1 3 192.140 1.349 10 0 ADAEHM Cc1cccc([C@](C)(N)CC(=O)[O-])n1 104684902 573186340 /nfs/dbraw/zinc/18/63/40/573186340.db2.gz SHQYVTDPTDVYLO-SNVBAGLBSA-N -1 3 194.234 1.039 10 0 ADAEHM Cc1ccc([C@](C)(N)CC(=O)[O-])nc1 104684910 573187242 /nfs/dbraw/zinc/18/72/42/573187242.db2.gz NQPBJBACUOWPCF-SNVBAGLBSA-N -1 3 194.234 1.039 10 0 ADAEHM C[C@@H](O)Cc1c(F)ccc([O-])c1F 257962732 573188293 /nfs/dbraw/zinc/18/82/93/573188293.db2.gz CAGYIUFHLVITCN-RXMQYKEDSA-N -1 3 188.173 1.594 10 0 ADAEHM CCc1ncc(C=O)cc1[O-] 225761462 573188312 /nfs/dbraw/zinc/18/83/12/573188312.db2.gz NHQAODKHLHLWAJ-UHFFFAOYSA-N -1 3 151.165 1.162 10 0 ADAEHM CCc1cc(F)c([O-])c(CCON)c1 258238428 573188352 /nfs/dbraw/zinc/18/83/52/573188352.db2.gz WLJPRVTVLBEOSM-UHFFFAOYSA-N -1 3 199.225 1.527 10 0 ADAEHM C[C@H](O)Cc1c(F)ccc([O-])c1F 257962734 573188579 /nfs/dbraw/zinc/18/85/79/573188579.db2.gz CAGYIUFHLVITCN-YFKPBYRVSA-N -1 3 188.173 1.594 10 0 ADAEHM Cc1ccc([C@@](C)(N)CC(=O)[O-])nc1 104685328 573188642 /nfs/dbraw/zinc/18/86/42/573188642.db2.gz NQPBJBACUOWPCF-JTQLQIEISA-N -1 3 194.234 1.039 10 0 ADAEHM CCOC(=S)[N-]C1CCCC1 238301820 573190367 /nfs/dbraw/zinc/19/03/67/573190367.db2.gz BDVPGSZIWXNHOP-UHFFFAOYSA-N -1 3 173.281 1.840 10 0 ADAEHM CC(C)(CF)NCc1ccc([O-])cn1 308514277 573190682 /nfs/dbraw/zinc/19/06/82/573190682.db2.gz MDDUMQVTJYOUGS-UHFFFAOYSA-N -1 3 198.241 1.625 10 0 ADAEHM COc1ccc2c(=O)ccoc2c1[O-] 142198078 573190842 /nfs/dbraw/zinc/19/08/42/573190842.db2.gz YNWVGTLBBLJHQK-UHFFFAOYSA-N -1 3 192.170 1.507 10 0 ADAEHM Nc1ncc(C2CCCC2)c(=O)[n-]1 258572607 573190942 /nfs/dbraw/zinc/19/09/42/573190942.db2.gz QATNBLVSEITCRD-UHFFFAOYSA-N -1 3 179.223 1.422 10 0 ADAEHM CCOC(=S)[N-]C1CC1 238301806 573191222 /nfs/dbraw/zinc/19/12/22/573191222.db2.gz DGWJHJIJXXKMES-UHFFFAOYSA-N -1 3 145.227 1.060 10 0 ADAEHM CCOC(=S)[N-]c1ccncc1 238302313 573193639 /nfs/dbraw/zinc/19/36/39/573193639.db2.gz MHADBPIPIPILBV-UHFFFAOYSA-N -1 3 182.248 1.815 10 0 ADAEHM CCc1c([O-])ccc2c1OCC2=O 238302887 573195077 /nfs/dbraw/zinc/19/50/77/573195077.db2.gz TXSDVMLHGVCFFK-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM CCc1c(O)ccc2c([O-])coc12 238302887 573195080 /nfs/dbraw/zinc/19/50/80/573195080.db2.gz TXSDVMLHGVCFFK-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM CCc1c([O-])ccc(C(=O)OC)c1O 238302771 573196833 /nfs/dbraw/zinc/19/68/33/573196833.db2.gz FZOWLOFYITVNMK-UHFFFAOYSA-N -1 3 196.202 1.447 10 0 ADAEHM CCc1c([O-])ccc2c1OCCC2=O 238302850 573197925 /nfs/dbraw/zinc/19/79/25/573197925.db2.gz YHOWACDJXSRHLP-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM C[C@H]1CC(=O)c2ccc([O-])cc2N1 257967923 573201100 /nfs/dbraw/zinc/20/11/00/573201100.db2.gz YHDNZRUPHLOYMG-LURJTMIESA-N -1 3 177.203 1.779 10 0 ADAEHM Cc1ccc(C[C@H](C)O)c([O-])c1F 257969111 573201881 /nfs/dbraw/zinc/20/18/81/573201881.db2.gz CRTRHBQQCBCOII-ZETCQYMHSA-N -1 3 184.210 1.763 10 0 ADAEHM CC(=O)c1ccc2[nH][n-]c(=O)c2c1 257967913 573203657 /nfs/dbraw/zinc/20/36/57/573203657.db2.gz YGTUWLQWOANDOE-UHFFFAOYSA-N -1 3 176.175 1.471 10 0 ADAEHM [O-]c1cc(CCCO)c(F)cc1F 257968878 573203710 /nfs/dbraw/zinc/20/37/10/573203710.db2.gz CNOGYAFRGYVBLR-UHFFFAOYSA-N -1 3 188.173 1.595 10 0 ADAEHM COc1c([C@H](C)O)ccc(F)c1[O-] 257968942 573203959 /nfs/dbraw/zinc/20/39/59/573203959.db2.gz CPALWPOATPFEJR-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM COc1c([C@@H](C)O)ccc(F)c1[O-] 257968939 573204356 /nfs/dbraw/zinc/20/43/56/573204356.db2.gz CPALWPOATPFEJR-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM CCc1cc2c(cc1[O-])OCCC2=O 238312357 573206263 /nfs/dbraw/zinc/20/62/63/573206263.db2.gz NIYJFKSUTNJDNR-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CCc1cc2occ([O-])c2cc1OC 238313076 573206513 /nfs/dbraw/zinc/20/65/13/573206513.db2.gz WLFAIYVEBLDYJB-UHFFFAOYSA-N -1 3 192.214 1.833 10 0 ADAEHM COCc1ccc([C@@H](C)O)cc1[O-] 257964805 573206571 /nfs/dbraw/zinc/20/65/71/573206571.db2.gz CBFAKZXVXGWHRI-SSDOTTSWSA-N -1 3 182.219 1.592 10 0 ADAEHM C[C@@H](CO)c1cc(F)c(F)cc1[O-] 257965113 573207058 /nfs/dbraw/zinc/20/70/58/573207058.db2.gz CFQTXXHTEPHPGT-YFKPBYRVSA-N -1 3 188.173 1.766 10 0 ADAEHM Cc1nc(-c2ccco2)c(C)c(=O)[n-]1 235957455 573207161 /nfs/dbraw/zinc/20/71/61/573207161.db2.gz WVJSBCFKWRJNNG-UHFFFAOYSA-N -1 3 190.202 1.647 10 0 ADAEHM COCc1ccc([C@H](C)O)cc1[O-] 257964810 573207873 /nfs/dbraw/zinc/20/78/73/573207873.db2.gz CBFAKZXVXGWHRI-ZETCQYMHSA-N -1 3 182.219 1.592 10 0 ADAEHM CCc1nc2noc(CC)c2c(=O)[n-]1 238313191 573209719 /nfs/dbraw/zinc/20/97/19/573209719.db2.gz DFEWLWPYIWVSJR-UHFFFAOYSA-N -1 3 193.206 1.036 10 0 ADAEHM Cc1c(C2CC2)nc(C2CC2)[n-]c1=O 235961836 573209908 /nfs/dbraw/zinc/20/99/08/573209908.db2.gz OEPKENWZFZLDFA-UHFFFAOYSA-N -1 3 190.246 1.833 10 0 ADAEHM CCc1cc([C@@H](N)C(=O)[O-])ccc1F 257971031 573210364 /nfs/dbraw/zinc/21/03/64/573210364.db2.gz CVBWDHPBUVCPCR-SECBINFHSA-N -1 3 197.209 1.473 10 0 ADAEHM CNC(C)(C)C(=O)c1ccc([O-])cc1 238307126 573210760 /nfs/dbraw/zinc/21/07/60/573210760.db2.gz HMZMFLHCWNGOKG-UHFFFAOYSA-N -1 3 193.246 1.573 10 0 ADAEHM Cc1ccc(NC(=O)N(C)C)c([O-])c1 85956611 573214081 /nfs/dbraw/zinc/21/40/81/573214081.db2.gz FMFHZQQRFLKYNP-UHFFFAOYSA-N -1 3 194.234 1.794 10 0 ADAEHM CN(C)C(=O)Nc1ccc([O-])c(F)c1 85956616 573214109 /nfs/dbraw/zinc/21/41/09/573214109.db2.gz KDFUMHPKNKRMQJ-UHFFFAOYSA-N -1 3 198.197 1.625 10 0 ADAEHM NOCc1c([O-])ccc2ccccc12 257970956 573213519 /nfs/dbraw/zinc/21/35/19/573213519.db2.gz CTBANVPMBKIWOW-UHFFFAOYSA-N -1 3 189.214 1.936 10 0 ADAEHM CN(C)C(=O)Nc1ccc([O-])cc1F 85956622 573213745 /nfs/dbraw/zinc/21/37/45/573213745.db2.gz FRQBKUDHFLJEBJ-UHFFFAOYSA-N -1 3 198.197 1.625 10 0 ADAEHM CCn1ncc([O-])c1C(C)C 258587129 573213778 /nfs/dbraw/zinc/21/37/78/573213778.db2.gz SWKSNCXDGDQDAA-UHFFFAOYSA-N -1 3 154.213 1.732 10 0 ADAEHM O=c1[n-]n(C2CCC2)c2c1COC2 257972056 573213783 /nfs/dbraw/zinc/21/37/83/573213783.db2.gz YTJBYLLPJODKHI-UHFFFAOYSA-N -1 3 180.207 1.344 10 0 ADAEHM CC[C@]1(C)OC(=S)[N-][C@H]1C 238307091 573214034 /nfs/dbraw/zinc/21/40/34/573214034.db2.gz QZMNOVPJJVOYQF-FSPLSTOPSA-N -1 3 159.254 1.448 10 0 ADAEHM CC[C@]1(C)OC(=S)[N-][C@@H]1C 238307073 573214816 /nfs/dbraw/zinc/21/48/16/573214816.db2.gz QZMNOVPJJVOYQF-VDTYLAMSSA-N -1 3 159.254 1.448 10 0 ADAEHM N=C1CCCC=C1C(=O)[O-] 104723319 573215875 /nfs/dbraw/zinc/21/58/75/573215875.db2.gz RKFAALNBZNUMMV-UHFFFAOYSA-N -1 3 139.154 1.201 10 0 ADAEHM CCOCCC(=O)[N-]O[C@H](C)CC 308318203 573221094 /nfs/dbraw/zinc/22/10/94/573221094.db2.gz YNGQHUPRKJEFJX-MRVPVSSYSA-N -1 3 189.255 1.259 10 0 ADAEHM CN[C@@H](C)[P@](=O)([O-])c1ccccc1 238320902 573221532 /nfs/dbraw/zinc/22/15/32/573221532.db2.gz BMCRMUNFJVPSRA-MRVPVSSYSA-N -1 3 199.190 1.148 10 0 ADAEHM C[C@@H](NC/C(Cl)=C/Cl)C(=O)[O-] 86000604 573221859 /nfs/dbraw/zinc/22/18/59/573221859.db2.gz ATVQZWHKRMOSCK-PLSQTASKSA-N -1 3 198.049 1.368 10 0 ADAEHM NOCCc1cc([O-])c(F)cc1F 257974841 573223491 /nfs/dbraw/zinc/22/34/91/573223491.db2.gz DDEGLGGAOVSQAD-UHFFFAOYSA-N -1 3 189.161 1.103 10 0 ADAEHM CNc1c2sscc-2[n-]c1=O 238321933 573227245 /nfs/dbraw/zinc/22/72/45/573227245.db2.gz WHYFYRCJWQRESA-UHFFFAOYSA-N -1 3 186.261 1.644 10 0 ADAEHM CCn1[n-]c(=O)c2ccc(F)cc21 257975816 573228475 /nfs/dbraw/zinc/22/84/75/573228475.db2.gz ZCFXWKLUQWACNY-UHFFFAOYSA-N -1 3 180.182 1.489 10 0 ADAEHM COC(=O)c1c(C)ccc(C=O)c1[O-] 238321038 573228272 /nfs/dbraw/zinc/22/82/72/573228272.db2.gz VMULBDPCCGNAIM-UHFFFAOYSA-N -1 3 194.186 1.300 10 0 ADAEHM O=C([O-])C/C=C\CN1CCCC1 258240003 573232219 /nfs/dbraw/zinc/23/22/19/573232219.db2.gz QAVZIJBHNHGLOO-UPHRSURJSA-N -1 3 169.224 1.113 10 0 ADAEHM Cc1ccc(N)c([O-])c1Cl 82846340 573233060 /nfs/dbraw/zinc/23/30/60/573233060.db2.gz MCMVLRZOGPQORF-UHFFFAOYSA-N -1 3 157.600 1.936 10 0 ADAEHM Cc1cc(CO)cc([O-])c1F 257976030 573234214 /nfs/dbraw/zinc/23/42/14/573234214.db2.gz IYXZJEMZZULGOK-UHFFFAOYSA-N -1 3 156.156 1.332 10 0 ADAEHM O=Cc1coc(-c2cccc([O-])c2)n1 258241790 573234876 /nfs/dbraw/zinc/23/48/76/573234876.db2.gz WGEBOGLJSKWCIM-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM C[C@H]1c2cccc([O-])c2C(=O)N1C 115946261 573238426 /nfs/dbraw/zinc/23/84/26/573238426.db2.gz QCJZSVWQMQPKNH-LURJTMIESA-N -1 3 177.203 1.539 10 0 ADAEHM CCc1cnc(=O)[n-]c1Cl 238324370 573238492 /nfs/dbraw/zinc/23/84/92/573238492.db2.gz GNILWMHGVFNEJZ-UHFFFAOYSA-N -1 3 158.588 1.398 10 0 ADAEHM C[C@H](CCC(=O)[O-])N1CC[C@@H](F)C1 689936891 573241631 /nfs/dbraw/zinc/24/16/31/573241631.db2.gz WYECPQFIJAPYKX-HTQZYQBOSA-N -1 3 189.230 1.284 10 0 ADAEHM C[C@@H](CCC(=O)[O-])N1CC[C@@H](F)C1 689936892 573242356 /nfs/dbraw/zinc/24/23/56/573242356.db2.gz WYECPQFIJAPYKX-JGVFFNPUSA-N -1 3 189.230 1.284 10 0 ADAEHM CCO[N-]C(=O)C1(CC(C)C)CC1 308319974 573244966 /nfs/dbraw/zinc/24/49/66/573244966.db2.gz ZVFPSHLLCPYXFO-UHFFFAOYSA-N -1 3 185.267 1.880 10 0 ADAEHM COc1cccc(-c2c[n-][nH]c2=O)c1 258607735 573245342 /nfs/dbraw/zinc/24/53/42/573245342.db2.gz ARVIXKDYLLGJCF-UHFFFAOYSA-N -1 3 190.202 1.791 10 0 ADAEHM Cc1cc2c(cc1[O-])OCC2=O 116153046 573249936 /nfs/dbraw/zinc/24/99/36/573249936.db2.gz VXLZBPMZCRUOLU-UHFFFAOYSA-N -1 3 164.160 1.276 10 0 ADAEHM CNc1nc(=S)sc(=S)[n-]1 238317149 573250110 /nfs/dbraw/zinc/25/01/10/573250110.db2.gz HGVNXOOPDCIRCS-UHFFFAOYSA-N -1 3 191.306 1.394 10 0 ADAEHM N#C[N-]C(=O)c1cc(Cl)ccc1F 86077731 573252391 /nfs/dbraw/zinc/25/23/91/573252391.db2.gz FZUQQWCYQUBIQZ-UHFFFAOYSA-N -1 3 198.584 1.690 10 0 ADAEHM Cc1ccc(Cl)c([O-])c1CCO 257979269 573252523 /nfs/dbraw/zinc/25/25/23/573252523.db2.gz DONCQVPZQPXEKC-UHFFFAOYSA-N -1 3 186.638 1.889 10 0 ADAEHM C=CC(=O)Nc1ccc([O-])cc1F 82879398 573252563 /nfs/dbraw/zinc/25/25/63/573252563.db2.gz ZEGICBSXDOVOEN-UHFFFAOYSA-N -1 3 181.166 1.656 10 0 ADAEHM Cc1c(O)ccc([C@@H](N)C(=O)[O-])c1C 257979337 573252614 /nfs/dbraw/zinc/25/26/14/573252614.db2.gz DPOVGJFYABEJHS-SECBINFHSA-N -1 3 195.218 1.093 10 0 ADAEHM COCc1ccc(C(C)(C)O)cc1[O-] 257979258 573252787 /nfs/dbraw/zinc/25/27/87/573252787.db2.gz DOIIODVJLSUZEL-UHFFFAOYSA-N -1 3 196.246 1.766 10 0 ADAEHM [O-]c1cc(F)c(F)cc1CCO 257978994 573253014 /nfs/dbraw/zinc/25/30/14/573253014.db2.gz JJSXKUIDUDLOJT-UHFFFAOYSA-N -1 3 174.146 1.205 10 0 ADAEHM Cc1cc([O-])c(F)c([C@H](C)CO)c1 257979189 573253112 /nfs/dbraw/zinc/25/31/12/573253112.db2.gz DNKWTUIGLPCMND-SSDOTTSWSA-N -1 3 184.210 1.936 10 0 ADAEHM NC(=O)Nc1ccc([O-])cc1F 82879418 573253293 /nfs/dbraw/zinc/25/32/93/573253293.db2.gz PUOOVEUGGUXWGS-UHFFFAOYSA-N -1 3 170.143 1.022 10 0 ADAEHM [O-]c1ccc(Cl)c(F)c1CCO 257979425 573253600 /nfs/dbraw/zinc/25/36/00/573253600.db2.gz DQNKHEHWNCPXCR-UHFFFAOYSA-N -1 3 190.601 1.720 10 0 ADAEHM O=C(Nc1ccc([O-])c(F)c1)C1CC1 82878348 573254027 /nfs/dbraw/zinc/25/40/27/573254027.db2.gz BYFJZBVANQLBMK-UHFFFAOYSA-N -1 3 195.193 1.880 10 0 ADAEHM CC(C)c1c[nH]c([C@@H](N)CC(=O)[O-])n1 259054801 573254050 /nfs/dbraw/zinc/25/40/50/573254050.db2.gz IZKYNINUPOFDQK-LURJTMIESA-N -1 3 197.238 1.008 10 0 ADAEHM O=CNc1ccc([O-])cc1Cl 82879757 573254134 /nfs/dbraw/zinc/25/41/34/573254134.db2.gz OHVAOWOUMLQQDE-UHFFFAOYSA-N -1 3 171.583 1.614 10 0 ADAEHM COc1c([O-])cc(CNO)cc1F 257979162 573254164 /nfs/dbraw/zinc/25/41/64/573254164.db2.gz DMYRERCEIQCTPT-UHFFFAOYSA-N -1 3 187.170 1.019 10 0 ADAEHM COC(=O)Nc1ccc([O-])c(F)c1 82878382 573254299 /nfs/dbraw/zinc/25/42/99/573254299.db2.gz GSKKPISLGJWECR-UHFFFAOYSA-N -1 3 185.154 1.710 10 0 ADAEHM N#C[N-]C(=O)c1c(F)cccc1Cl 86077176 573254325 /nfs/dbraw/zinc/25/43/25/573254325.db2.gz KPIKNDFFVVWMFO-UHFFFAOYSA-N -1 3 198.584 1.690 10 0 ADAEHM CC[C@H]1[N-]c2nonc2N=C[C@@H]1C 238318916 573254530 /nfs/dbraw/zinc/25/45/30/573254530.db2.gz JZQHOXFQMWDEKX-NTSWFWBYSA-N -1 3 180.211 1.612 10 0 ADAEHM COCc1ccc(C(C)=O)cc1[O-] 257979011 573254555 /nfs/dbraw/zinc/25/45/55/573254555.db2.gz JKHDQYBFUKUTTJ-UHFFFAOYSA-N -1 3 180.203 1.741 10 0 ADAEHM O=CNc1ccc([O-])cc1F 82879320 573254579 /nfs/dbraw/zinc/25/45/79/573254579.db2.gz VMAQHMPONPPCJN-UHFFFAOYSA-N -1 3 155.128 1.100 10 0 ADAEHM CCNC(=O)Nc1ccc([O-])cc1F 82879417 573254733 /nfs/dbraw/zinc/25/47/33/573254733.db2.gz MFELCWHPVRVQLS-UHFFFAOYSA-N -1 3 198.197 1.673 10 0 ADAEHM Cc1cc([O-])c(F)c([C@@H](C)CO)c1 257979191 573254745 /nfs/dbraw/zinc/25/47/45/573254745.db2.gz DNKWTUIGLPCMND-ZETCQYMHSA-N -1 3 184.210 1.936 10 0 ADAEHM N#C[N-]C(=O)c1cccc(F)c1F 86076802 573254753 /nfs/dbraw/zinc/25/47/53/573254753.db2.gz PEBZXKDPNUXDGT-UHFFFAOYSA-N -1 3 182.129 1.176 10 0 ADAEHM NC(=O)Nc1ccc([O-])c(F)c1 82878390 573255098 /nfs/dbraw/zinc/25/50/98/573255098.db2.gz LFCSEDAHBBARPT-UHFFFAOYSA-N -1 3 170.143 1.022 10 0 ADAEHM COc1cccc(F)c1C(=O)[N-]C#N 86077483 573255185 /nfs/dbraw/zinc/25/51/85/573255185.db2.gz CEMZXBXXHYUNBS-UHFFFAOYSA-N -1 3 194.165 1.045 10 0 ADAEHM N#C[N-]C(=O)c1ccc(F)cc1F 86077167 573255195 /nfs/dbraw/zinc/25/51/95/573255195.db2.gz IXTDWMLAOIOJKA-UHFFFAOYSA-N -1 3 182.129 1.176 10 0 ADAEHM CC/C(C(=O)[O-])=C1\CCN(C2CC2)C1 642883873 573256136 /nfs/dbraw/zinc/25/61/36/573256136.db2.gz QOZBDBPHQWFZHV-NTMALXAHSA-N -1 3 195.262 1.646 10 0 ADAEHM N#C[N-]C(=O)c1ccc(Cl)cc1F 86076779 573256442 /nfs/dbraw/zinc/25/64/42/573256442.db2.gz PRNFTQIWWNFIQZ-UHFFFAOYSA-N -1 3 198.584 1.690 10 0 ADAEHM CCNC(=O)Nc1ccc([O-])c(F)c1 82878388 573256644 /nfs/dbraw/zinc/25/66/44/573256644.db2.gz USJQAJJRFCVSRK-UHFFFAOYSA-N -1 3 198.197 1.673 10 0 ADAEHM N#C[N-]C(=O)c1ccc(F)cc1Cl 86085144 573259704 /nfs/dbraw/zinc/25/97/04/573259704.db2.gz GAVFQAPWRUJUAC-UHFFFAOYSA-N -1 3 198.584 1.690 10 0 ADAEHM CCC(=O)Nc1ccc([O-])c(F)c1 82888520 573260205 /nfs/dbraw/zinc/26/02/05/573260205.db2.gz DZTITNITDSAPPD-UHFFFAOYSA-N -1 3 183.182 1.880 10 0 ADAEHM CN(C1CC1)[C@@H](C(=O)[O-])c1ccc[nH]1 259056912 573260264 /nfs/dbraw/zinc/26/02/64/573260264.db2.gz MDFPXKVKJHMYFK-SECBINFHSA-N -1 3 194.234 1.235 10 0 ADAEHM O=CNc1ccc([O-])c(F)c1 82888517 573260595 /nfs/dbraw/zinc/26/05/95/573260595.db2.gz GARWHDMAKRKKOP-UHFFFAOYSA-N -1 3 155.128 1.100 10 0 ADAEHM C[C@@H](CO)c1cccc(F)c1[O-] 257984891 573260817 /nfs/dbraw/zinc/26/08/17/573260817.db2.gz KBGFVCNATNCBGV-LURJTMIESA-N -1 3 170.183 1.627 10 0 ADAEHM CN[C@@H](C)c1cc(F)c([O-])cc1F 238326118 573260860 /nfs/dbraw/zinc/26/08/60/573260860.db2.gz KJCSUFVOLICJTL-YFKPBYRVSA-N -1 3 187.189 1.951 10 0 ADAEHM CN(C1CC1)[C@H](C(=O)[O-])c1ccc[nH]1 259056913 573262286 /nfs/dbraw/zinc/26/22/86/573262286.db2.gz MDFPXKVKJHMYFK-VIFPVBQESA-N -1 3 194.234 1.235 10 0 ADAEHM COCc1ccc(F)cc1[O-] 238326336 573263573 /nfs/dbraw/zinc/26/35/73/573263573.db2.gz UAJUPGREKFCNGP-UHFFFAOYSA-N -1 3 156.156 1.678 10 0 ADAEHM CN[C@H](C)[P@](=O)([O-])c1ccccc1 238327513 573264374 /nfs/dbraw/zinc/26/43/74/573264374.db2.gz BMCRMUNFJVPSRA-QMMMGPOBSA-N -1 3 199.190 1.148 10 0 ADAEHM CN1C(=O)CCc2cc(O)cc([O-])c21 257985103 573266964 /nfs/dbraw/zinc/26/69/64/573266964.db2.gz XJUMNBRNVCBYHQ-UHFFFAOYSA-N -1 3 193.202 1.007 10 0 ADAEHM CN[C@@H](C)c1cc([O-])c(F)c(F)c1 238327912 573266015 /nfs/dbraw/zinc/26/60/15/573266015.db2.gz UZYIIIBQXMINLI-YFKPBYRVSA-N -1 3 187.189 1.951 10 0 ADAEHM CC(=O)c1cc(F)cc(C(C)=O)c1[O-] 142382649 573266465 /nfs/dbraw/zinc/26/64/65/573266465.db2.gz ZCHKBCGLUJXPLY-UHFFFAOYSA-N -1 3 196.177 1.937 10 0 ADAEHM CC(C)=C1C=C(C(=O)[O-])CN(C)C1 238327550 573267276 /nfs/dbraw/zinc/26/72/76/573267276.db2.gz MKRUDXBGNLUBOK-UHFFFAOYSA-N -1 3 181.235 1.279 10 0 ADAEHM CN1CC(=O)N=C1c1ccc([O-])cc1 236063243 573267628 /nfs/dbraw/zinc/26/76/28/573267628.db2.gz OYXNYPCUGCETCR-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM CN[C@@H](C)c1ccc(C(=O)[O-])cc1F 238329399 573269312 /nfs/dbraw/zinc/26/93/12/573269312.db2.gz NMTSAXMKQAYHGQ-LURJTMIESA-N -1 3 197.209 1.804 10 0 ADAEHM CCc1cc(F)cc(C=O)c1[O-] 238329597 573269935 /nfs/dbraw/zinc/26/99/35/573269935.db2.gz SKNRHXCBDLXRFJ-UHFFFAOYSA-N -1 3 168.167 1.906 10 0 ADAEHM CN[C@@H](C)c1ccc(C(=O)[O-])cn1 238329418 573272650 /nfs/dbraw/zinc/27/26/50/573272650.db2.gz SAHVNPWURQUKRA-LURJTMIESA-N -1 3 180.207 1.060 10 0 ADAEHM C[C@@H](c1ccc(F)cc1)N([O-])C(N)=O 74238531 573275679 /nfs/dbraw/zinc/27/56/79/573275679.db2.gz VFFCNLQFKWRMPK-LURJTMIESA-N -1 3 198.197 1.657 10 0 ADAEHM Nc1ncc(C2CCC2)c(=O)[n-]1 258618510 573275701 /nfs/dbraw/zinc/27/57/01/573275701.db2.gz UQISMSHOWVIMMC-UHFFFAOYSA-N -1 3 165.196 1.032 10 0 ADAEHM O=C([O-])Cc1scc2c1CCNC2 74239715 573277084 /nfs/dbraw/zinc/27/70/84/573277084.db2.gz HAODQBIWTNWVLG-UHFFFAOYSA-N -1 3 197.259 1.021 10 0 ADAEHM O=C([O-])C[C@@H]1NCCc2cscc21 74239694 573278160 /nfs/dbraw/zinc/27/81/60/573278160.db2.gz BYVCSKKUQJOIBH-QMMMGPOBSA-N -1 3 197.259 1.410 10 0 ADAEHM CCc1cc([O-])c(C=O)cc1O 238335014 573278721 /nfs/dbraw/zinc/27/87/21/573278721.db2.gz DQZPAOBITGJVQC-UHFFFAOYSA-N -1 3 166.176 1.473 10 0 ADAEHM N#[N+]c1ccc(C(=O)[O-])c([O-])c1 116460708 573283068 /nfs/dbraw/zinc/28/30/68/573283068.db2.gz FLJOPNKRHZDHIA-UHFFFAOYSA-O -1 3 165.128 1.575 10 0 ADAEHM CN[C@H](C)c1ccc(C(=O)[O-])cc1F 238333437 573287285 /nfs/dbraw/zinc/28/72/85/573287285.db2.gz NMTSAXMKQAYHGQ-ZCFIWIBFSA-N -1 3 197.209 1.804 10 0 ADAEHM [O-]c1c(CCCO)ccc(O)c1F 257993958 573286801 /nfs/dbraw/zinc/28/68/01/573286801.db2.gz FSUNKTHBVULLEH-UHFFFAOYSA-N -1 3 186.182 1.162 10 0 ADAEHM Cc1cc([O-])c(Cl)cc1CNO 257994147 573287993 /nfs/dbraw/zinc/28/79/93/573287993.db2.gz FYGCFTPNPOLDLP-UHFFFAOYSA-N -1 3 187.626 1.833 10 0 ADAEHM O=C([O-])c1cnccc1NCCCF 308541763 573288714 /nfs/dbraw/zinc/28/87/14/573288714.db2.gz MWSZUFIRBKERCJ-UHFFFAOYSA-N -1 3 198.197 1.551 10 0 ADAEHM CN[C@H](C)c1ccc(C(=O)[O-])cn1 238333452 573289115 /nfs/dbraw/zinc/28/91/15/573289115.db2.gz SAHVNPWURQUKRA-ZCFIWIBFSA-N -1 3 180.207 1.060 10 0 ADAEHM COCC(=O)c1ccc([O-])c(C)c1O 238324602 573289565 /nfs/dbraw/zinc/28/95/65/573289565.db2.gz TYKKFLRVIVSEAI-UHFFFAOYSA-N -1 3 196.202 1.235 10 0 ADAEHM Cn1cc(-c2ccc([O-])cc2F)cn1 123976821 573290311 /nfs/dbraw/zinc/29/03/11/573290311.db2.gz WXDOTUWABJACKB-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM CC(C)(CO)c1cccc(F)c1[O-] 257994030 573291409 /nfs/dbraw/zinc/29/14/09/573291409.db2.gz FUDHMATZXIQEIR-UHFFFAOYSA-N -1 3 184.210 1.801 10 0 ADAEHM CCc1cc([O-])c(F)c(C=O)c1 238335336 573291024 /nfs/dbraw/zinc/29/10/24/573291024.db2.gz SIFYERSIQZDZQO-UHFFFAOYSA-N -1 3 168.167 1.906 10 0 ADAEHM Cn1ccc2c(F)c(N)c([O-])cc21 257994962 573291260 /nfs/dbraw/zinc/29/12/60/573291260.db2.gz LEYHCLKCZSQUMD-UHFFFAOYSA-N -1 3 180.182 1.605 10 0 ADAEHM CCOc1nc2ccc([O-])cc2o1 116528567 573291336 /nfs/dbraw/zinc/29/13/36/573291336.db2.gz ITXDEUCONLATQR-UHFFFAOYSA-N -1 3 179.175 1.932 10 0 ADAEHM CN[C@H](C)c1ccc([O-])c(F)c1F 238335321 573292267 /nfs/dbraw/zinc/29/22/67/573292267.db2.gz BBNAEHOKQZVEHQ-RXMQYKEDSA-N -1 3 187.189 1.951 10 0 ADAEHM Cc1cc(F)c([O-])c(C[C@H](C)O)c1 257996693 573292294 /nfs/dbraw/zinc/29/22/94/573292294.db2.gz GCDLKTPWWMKQHC-ZETCQYMHSA-N -1 3 184.210 1.763 10 0 ADAEHM Cc1[nH]c2ccncc2c1CC(=O)[O-] 74275050 573293441 /nfs/dbraw/zinc/29/34/41/573293441.db2.gz RYDKGPQQLJKRFU-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM Cc1nc2cc[nH]cc-2c1CC(=O)[O-] 74275050 573293447 /nfs/dbraw/zinc/29/34/47/573293447.db2.gz RYDKGPQQLJKRFU-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM N[C@@H](c1ccccc1)c1cc(=O)[n-]o1 74275169 573295443 /nfs/dbraw/zinc/29/54/43/573295443.db2.gz KMOIYTKYHFUJAF-JTQLQIEISA-N -1 3 190.202 1.428 10 0 ADAEHM N[C@@H](c1ccccc1)c1cc(=O)[nH][n-]1 74276373 573295203 /nfs/dbraw/zinc/29/52/03/573295203.db2.gz PXPAJBGYRFBVHY-JTQLQIEISA-N -1 3 189.218 1.163 10 0 ADAEHM N[C@H](c1ccccc1)c1cc(=O)[n-]o1 74275173 573296184 /nfs/dbraw/zinc/29/61/84/573296184.db2.gz KMOIYTKYHFUJAF-SNVBAGLBSA-N -1 3 190.202 1.428 10 0 ADAEHM Cc1cc(F)c([O-])c(C[C@@H](C)O)c1 257996691 573296300 /nfs/dbraw/zinc/29/63/00/573296300.db2.gz GCDLKTPWWMKQHC-SSDOTTSWSA-N -1 3 184.210 1.763 10 0 ADAEHM CN[C@@H](C)c1cncc(C(=O)[O-])c1 238335999 573300143 /nfs/dbraw/zinc/30/01/43/573300143.db2.gz ULKPAKLRWKHLBF-LURJTMIESA-N -1 3 180.207 1.060 10 0 ADAEHM C[C@H](N)c1ncc2cc([O-])ccn12 258624643 573304253 /nfs/dbraw/zinc/30/42/53/573304253.db2.gz UXXCRRMPPCTURX-LURJTMIESA-N -1 3 177.207 1.060 10 0 ADAEHM Cc1ccc(F)c2occ([O-])c12 82939357 573305265 /nfs/dbraw/zinc/30/52/65/573305265.db2.gz SIORELMQXWXSCQ-UHFFFAOYSA-N -1 3 166.151 1.709 10 0 ADAEHM C[C@@H](N)c1ncc2cc([O-])ccn12 258624662 573307268 /nfs/dbraw/zinc/30/72/68/573307268.db2.gz UXXCRRMPPCTURX-ZCFIWIBFSA-N -1 3 177.207 1.060 10 0 ADAEHM COc1cc(C(F)F)c([O-])cn1 238346869 573309041 /nfs/dbraw/zinc/30/90/41/573309041.db2.gz BWKHJBSRXJSNLZ-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM O=C1N[C@H](C2CC2)c2cc([O-])ccc21 221377187 573311346 /nfs/dbraw/zinc/31/13/46/573311346.db2.gz MWKAHQGPLMCXFY-SNVBAGLBSA-N -1 3 189.214 1.587 10 0 ADAEHM Cc1cc(CN)c(F)c([O-])c1Cl 258001364 573311408 /nfs/dbraw/zinc/31/14/08/573311408.db2.gz GNJNYMRBDIGVDH-UHFFFAOYSA-N -1 3 189.617 1.952 10 0 ADAEHM Cc1ccc(-c2nc(C=O)c[n-]2)o1 74308365 573315282 /nfs/dbraw/zinc/31/52/82/573315282.db2.gz LNKGUXQTOSCZQQ-UHFFFAOYSA-N -1 3 176.175 1.791 10 0 ADAEHM CC[C@@H]1CCC(=O)C=C1[O-] 106852700 573315297 /nfs/dbraw/zinc/31/52/97/573315297.db2.gz IDESFDLCRXUSGK-ZCFIWIBFSA-N -1 3 140.182 1.335 10 0 ADAEHM CC[C@@H]1CCC([O-])=CC1=O 106852700 573315302 /nfs/dbraw/zinc/31/53/02/573315302.db2.gz IDESFDLCRXUSGK-ZCFIWIBFSA-N -1 3 140.182 1.335 10 0 ADAEHM O=c1[nH][n-]cc1C1CCCC1 258627533 573315442 /nfs/dbraw/zinc/31/54/42/573315442.db2.gz BVIARBNKQHFCIE-UHFFFAOYSA-N -1 3 152.197 1.773 10 0 ADAEHM N[C@H](c1ccsc1)[P@@H](=O)[O-] 117034900 573315594 /nfs/dbraw/zinc/31/55/94/573315594.db2.gz RBCUHRKIPOFHRV-YFKPBYRVSA-N -1 3 177.165 1.172 10 0 ADAEHM N[C@H](c1ccsc1)[P@H](=O)[O-] 117034900 573315599 /nfs/dbraw/zinc/31/55/99/573315599.db2.gz RBCUHRKIPOFHRV-YFKPBYRVSA-N -1 3 177.165 1.172 10 0 ADAEHM CCc1ccc(C(=O)[N-]C(C)=O)cc1 238351856 573315610 /nfs/dbraw/zinc/31/56/10/573315610.db2.gz SKWBHMWPUDYKEO-UHFFFAOYSA-N -1 3 191.230 1.525 10 0 ADAEHM CNC(=O)[N-]c1onc(C)c1Cl 238352374 573316311 /nfs/dbraw/zinc/31/63/11/573316311.db2.gz VICLLXDWXCSWTM-UHFFFAOYSA-N -1 3 189.602 1.388 10 0 ADAEHM CC(C)C[C@@H]1CCC(=O)C=C1[O-] 106852710 573316443 /nfs/dbraw/zinc/31/64/43/573316443.db2.gz WOBXHPUNASCJQC-QMMMGPOBSA-N -1 3 168.236 1.971 10 0 ADAEHM CC(C)C[C@@H]1CCC([O-])=CC1=O 106852710 573316448 /nfs/dbraw/zinc/31/64/48/573316448.db2.gz WOBXHPUNASCJQC-QMMMGPOBSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@H]1CCC(=O)C=C1[O-] 106852702 573316868 /nfs/dbraw/zinc/31/68/68/573316868.db2.gz IDESFDLCRXUSGK-LURJTMIESA-N -1 3 140.182 1.335 10 0 ADAEHM CC[C@H]1CCC([O-])=CC1=O 106852702 573316873 /nfs/dbraw/zinc/31/68/73/573316873.db2.gz IDESFDLCRXUSGK-LURJTMIESA-N -1 3 140.182 1.335 10 0 ADAEHM [O-]c1ccc(-c2ncccn2)nc1 715770973 573316989 /nfs/dbraw/zinc/31/69/89/573316989.db2.gz QYHSAKSHFCEOTA-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM Cc1nc(-c2ncco2)[n-]c1C=O 74307738 573317058 /nfs/dbraw/zinc/31/70/58/573317058.db2.gz DQMWFRPFVWKZEO-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1[n-]c(-c2ncco2)nc1C=O 74307738 573317064 /nfs/dbraw/zinc/31/70/64/573317064.db2.gz DQMWFRPFVWKZEO-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM NCc1nc([O-])c(C(F)(F)F)s1 106860991 573317512 /nfs/dbraw/zinc/31/75/12/573317512.db2.gz VGXZWERSXLPZAD-UHFFFAOYSA-N -1 3 198.169 1.326 10 0 ADAEHM CC(C)C[C@H]1CCC(=O)C=C1[O-] 106852713 573317525 /nfs/dbraw/zinc/31/75/25/573317525.db2.gz WOBXHPUNASCJQC-MRVPVSSYSA-N -1 3 168.236 1.971 10 0 ADAEHM CC(C)C[C@H]1CCC([O-])=CC1=O 106852713 573317530 /nfs/dbraw/zinc/31/75/30/573317530.db2.gz WOBXHPUNASCJQC-MRVPVSSYSA-N -1 3 168.236 1.971 10 0 ADAEHM COc1[n-]c(=S)nc2ncn(C)c12 238352068 573318255 /nfs/dbraw/zinc/31/82/55/573318255.db2.gz ANWCDGJSPFICFQ-UHFFFAOYSA-N -1 3 196.235 1.034 10 0 ADAEHM [O-]c1ccc2c(Cl)ncn2c1 258302249 573318856 /nfs/dbraw/zinc/31/88/56/573318856.db2.gz OKODQBRZPLUPHY-UHFFFAOYSA-N -1 3 168.583 1.693 10 0 ADAEHM COC(=O)c1cc(C)cc([O-])c1C=O 238351032 573319364 /nfs/dbraw/zinc/31/93/64/573319364.db2.gz RMVUYQAHYZSUHL-UHFFFAOYSA-N -1 3 194.186 1.300 10 0 ADAEHM Cn1ncc([O-])c1C1CCCC1 258627526 573320545 /nfs/dbraw/zinc/32/05/45/573320545.db2.gz XHKNWMWOQWOIHY-UHFFFAOYSA-N -1 3 166.224 1.783 10 0 ADAEHM CNC(=O)N([O-])c1ccc(C)cc1 238341110 573320796 /nfs/dbraw/zinc/32/07/96/573320796.db2.gz UBHUTVKPAVAUBH-UHFFFAOYSA-N -1 3 180.207 1.530 10 0 ADAEHM CNC(=O)c1ccc(SC)c([O-])c1 238342300 573321016 /nfs/dbraw/zinc/32/10/16/573321016.db2.gz KUQOZFSFPSFRBQ-UHFFFAOYSA-N -1 3 197.259 1.474 10 0 ADAEHM COC(=O)c1[n-]nc2ccsc12 238342071 573321321 /nfs/dbraw/zinc/32/13/21/573321321.db2.gz KVAWQOWWAPCSME-UHFFFAOYSA-N -1 3 182.204 1.411 10 0 ADAEHM COC(=O)c1n[n-]c2ccsc12 238342071 573321328 /nfs/dbraw/zinc/32/13/28/573321328.db2.gz KVAWQOWWAPCSME-UHFFFAOYSA-N -1 3 182.204 1.411 10 0 ADAEHM CNC(=O)N([O-])c1ccccc1C 238341161 573321406 /nfs/dbraw/zinc/32/14/06/573321406.db2.gz QYNPVNAXZRYNFQ-UHFFFAOYSA-N -1 3 180.207 1.530 10 0 ADAEHM Cc1nc(NCCCCF)cc(=O)[n-]1 308553215 573321555 /nfs/dbraw/zinc/32/15/55/573321555.db2.gz YJFKLSXLJBPZFW-UHFFFAOYSA-N -1 3 199.229 1.652 10 0 ADAEHM CC[C@@](N)(C(=O)[O-])c1cccc(F)c1 106874039 573323385 /nfs/dbraw/zinc/32/33/85/573323385.db2.gz BNLBQFIYNHMJPL-JTQLQIEISA-N -1 3 197.209 1.474 10 0 ADAEHM CC[C@@](N)(C(=O)[O-])c1ccccc1F 106874034 573323488 /nfs/dbraw/zinc/32/34/88/573323488.db2.gz VOWIEKPEAOTKPY-JTQLQIEISA-N -1 3 197.209 1.474 10 0 ADAEHM O=c1o[n-]c2c1CCCCC2 100279007 573327362 /nfs/dbraw/zinc/32/73/62/573327362.db2.gz CLEKKYHKUSVQGV-UHFFFAOYSA-N -1 3 153.181 1.237 10 0 ADAEHM O=C([O-])/C=C\CN1CC2CCC1CC2 308549614 573330339 /nfs/dbraw/zinc/33/03/39/573330339.db2.gz XAFRHUZVPKZHGG-UPHRSURJSA-N -1 3 195.262 1.502 10 0 ADAEHM CC(C)(O)c1ccc(F)cc1[O-] 258002640 573330713 /nfs/dbraw/zinc/33/07/13/573330713.db2.gz LZJGNSWMOWFLHT-UHFFFAOYSA-N -1 3 170.183 1.759 10 0 ADAEHM Cc1nnc([N-]c2ccccc2O)o1 74385110 573335077 /nfs/dbraw/zinc/33/50/77/573335077.db2.gz KVQPSTQLGUAZBP-UHFFFAOYSA-N -1 3 191.190 1.827 10 0 ADAEHM CCOc1c([O-])cnc(Cl)c1F 143557505 573335322 /nfs/dbraw/zinc/33/53/22/573335322.db2.gz MLZPFYYIWACEKP-UHFFFAOYSA-N -1 3 191.589 1.978 10 0 ADAEHM COc1c(C)c([O-])cc2cnncc12 238355842 573336166 /nfs/dbraw/zinc/33/61/66/573336166.db2.gz WBDLBIZKIWEFCI-UHFFFAOYSA-N -1 3 190.202 1.652 10 0 ADAEHM C=C(C(=O)OC)c1ccccc1[O-] 238354699 573336378 /nfs/dbraw/zinc/33/63/78/573336378.db2.gz NGOSNYKKXDFDRW-UHFFFAOYSA-N -1 3 178.187 1.578 10 0 ADAEHM CON=C([O-])Oc1ccccc1O 238354134 573339905 /nfs/dbraw/zinc/33/99/05/573339905.db2.gz AYAKTDANBKCTOP-UHFFFAOYSA-N -1 3 183.163 1.042 10 0 ADAEHM CO[N-]C(=O)Oc1ccccc1O 238354134 573339908 /nfs/dbraw/zinc/33/99/08/573339908.db2.gz AYAKTDANBKCTOP-UHFFFAOYSA-N -1 3 183.163 1.042 10 0 ADAEHM O=c1[n-]sc2c1CCCC2 107076757 573340066 /nfs/dbraw/zinc/34/00/66/573340066.db2.gz DKJUMLJXHSVZRQ-UHFFFAOYSA-N -1 3 155.222 1.728 10 0 ADAEHM NN=c1cc(-c2ccccc2[O-])[nH]o1 107076879 573340097 /nfs/dbraw/zinc/34/00/97/573340097.db2.gz RLFOOIGEIXADIV-UHFFFAOYSA-N -1 3 191.190 1.333 10 0 ADAEHM COC(OC)c1ccc(C)cc1[O-] 238354200 573340295 /nfs/dbraw/zinc/34/02/95/573340295.db2.gz FFNFGIIORKYOPK-UHFFFAOYSA-N -1 3 182.219 1.992 10 0 ADAEHM COc1nc(C(F)F)c([O-])cc1O 238362450 573342991 /nfs/dbraw/zinc/34/29/91/573342991.db2.gz JVNOOTLJYCVJCC-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM COc1ccc(C2=NCCC2)c([O-])c1 238356068 573343939 /nfs/dbraw/zinc/34/39/39/573343939.db2.gz XNZROYCFOBQESK-UHFFFAOYSA-N -1 3 191.230 1.984 10 0 ADAEHM [O-]c1ccc(CN2CC[C@H](F)C2)nc1 689845574 573346531 /nfs/dbraw/zinc/34/65/31/573346531.db2.gz DCXKFRUMPNTUOO-QMMMGPOBSA-N -1 3 196.225 1.331 10 0 ADAEHM [O-]c1ccc(CN2CC[C@@H](F)C2)nc1 689845571 573346548 /nfs/dbraw/zinc/34/65/48/573346548.db2.gz DCXKFRUMPNTUOO-MRVPVSSYSA-N -1 3 196.225 1.331 10 0 ADAEHM C/C=C\CN1CCC(CC(=O)[O-])CC1 211966553 573349054 /nfs/dbraw/zinc/34/90/54/573349054.db2.gz ROMOKPDVQIQONE-IHWYPQMZSA-N -1 3 197.278 1.749 10 0 ADAEHM CC(C)Cc1ncc([O-])cn1 107117334 573349268 /nfs/dbraw/zinc/34/92/68/573349268.db2.gz PDHTWMDYRSFMLX-UHFFFAOYSA-N -1 3 152.197 1.381 10 0 ADAEHM O=C1C=C([O-])C2(CCCC2)C1 107117328 573349455 /nfs/dbraw/zinc/34/94/55/573349455.db2.gz QCNASFVCUCLOHQ-UHFFFAOYSA-N -1 3 152.193 1.479 10 0 ADAEHM C[N-]C(=S)OCc1cccc(C)n1 238365605 573349852 /nfs/dbraw/zinc/34/98/52/573349852.db2.gz ZCFVNCABPCKSGS-UHFFFAOYSA-N -1 3 196.275 1.411 10 0 ADAEHM CNC(=S)Nc1nc(C)ccc1[O-] 238365277 573349868 /nfs/dbraw/zinc/34/98/68/573349868.db2.gz NKPQMDFLFIPUTJ-UHFFFAOYSA-N -1 3 197.263 1.012 10 0 ADAEHM CCc1nc(NCCCF)cc(=O)[n-]1 308558412 573350195 /nfs/dbraw/zinc/35/01/95/573350195.db2.gz UPMJUNPINNJJNR-UHFFFAOYSA-N -1 3 199.229 1.516 10 0 ADAEHM [O-]c1ccc(F)cc1-c1c[nH]cn1 117487525 573350903 /nfs/dbraw/zinc/35/09/03/573350903.db2.gz PLQUOXMGJSJDLT-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM COc1cccc(C(=O)[O-])c1[C@@H](C)N 238364840 573350951 /nfs/dbraw/zinc/35/09/51/573350951.db2.gz OBEFKEWQKSUFRV-ZCFIWIBFSA-N -1 3 195.218 1.413 10 0 ADAEHM C[N-]C(=S)OCCC(C)C 238365534 573351069 /nfs/dbraw/zinc/35/10/69/573351069.db2.gz UTXVEDXYMSAUNH-UHFFFAOYSA-N -1 3 161.270 1.553 10 0 ADAEHM CC(C)(CC(=O)[O-])[C@H](N)c1ccc[nH]1 259425390 573351697 /nfs/dbraw/zinc/35/16/97/573351697.db2.gz PELSZDRZVJMKQJ-SECBINFHSA-N -1 3 196.250 1.515 10 0 ADAEHM COc1nc(C(F)F)cc(F)c1[O-] 238365966 573351515 /nfs/dbraw/zinc/35/15/15/573351515.db2.gz JOMQLBLRLPAEPJ-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM Nc1cc(-c2ccc(F)cc2[O-])[nH]n1 258006145 573352587 /nfs/dbraw/zinc/35/25/87/573352587.db2.gz GWJRMLKLZAIDOI-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM CCC1(CC)CC(=O)C=C1[O-] 107117717 573352757 /nfs/dbraw/zinc/35/27/57/573352757.db2.gz VJZKRGWOTUFYOO-UHFFFAOYSA-N -1 3 154.209 1.725 10 0 ADAEHM COc1ccc([O-])c(N=O)c1 117501283 573352782 /nfs/dbraw/zinc/35/27/82/573352782.db2.gz UDYXBGRPILRBKA-UHFFFAOYSA-N -1 3 153.137 1.799 10 0 ADAEHM C[C@H](O)c1c(F)c([O-])cc(O)c1F 258009060 573352867 /nfs/dbraw/zinc/35/28/67/573352867.db2.gz HHNIAOQVOLMKID-VKHMYHEASA-N -1 3 190.145 1.429 10 0 ADAEHM NN=c1[n-]c(Br)cs1 86278113 573353205 /nfs/dbraw/zinc/35/32/05/573353205.db2.gz VLHURUITYLPCEA-UHFFFAOYSA-N -1 3 194.057 1.191 10 0 ADAEHM CC(C)C(=O)[N-]OC1CCCC1 74581179 573358703 /nfs/dbraw/zinc/35/87/03/573358703.db2.gz ACCOTPITEPRXFL-UHFFFAOYSA-N -1 3 171.240 1.633 10 0 ADAEHM Cc1ccc(F)c([O-])c1CCO 258010057 573358365 /nfs/dbraw/zinc/35/83/65/573358365.db2.gz MZDPLGGLBORRPG-UHFFFAOYSA-N -1 3 170.183 1.375 10 0 ADAEHM CN1C(=O)c2ccc([O-])cc2C1(C)C 117628215 573359974 /nfs/dbraw/zinc/35/99/74/573359974.db2.gz AYCLPIHQDIPMAP-UHFFFAOYSA-N -1 3 191.230 1.713 10 0 ADAEHM COC([O-])=NOC1CCCC1 74581359 573360400 /nfs/dbraw/zinc/36/04/00/573360400.db2.gz APNYGKNSDLVTFG-UHFFFAOYSA-N -1 3 159.185 1.217 10 0 ADAEHM COC(=O)[N-]OC1CCCC1 74581359 573360409 /nfs/dbraw/zinc/36/04/09/573360409.db2.gz APNYGKNSDLVTFG-UHFFFAOYSA-N -1 3 159.185 1.217 10 0 ADAEHM O=C(c1ccc([O-])cc1)N1CCC1 117681353 573362293 /nfs/dbraw/zinc/36/22/93/573362293.db2.gz APYYLTZBCALLJB-UHFFFAOYSA-N -1 3 177.203 1.238 10 0 ADAEHM CCCCc1nc(N)c(C)c(=O)[n-]1 86314819 573362402 /nfs/dbraw/zinc/36/24/02/573362402.db2.gz QKCNHOYTFOEDTJ-UHFFFAOYSA-N -1 3 181.239 1.003 10 0 ADAEHM CCCCc1nc2c(c(=O)[n-]1)CCC2 86314913 573362666 /nfs/dbraw/zinc/36/26/66/573362666.db2.gz BZEJGYOEGNASEH-UHFFFAOYSA-N -1 3 192.262 1.601 10 0 ADAEHM COc1nc(C(F)F)c(F)cc1[O-] 238361215 573364812 /nfs/dbraw/zinc/36/48/12/573364812.db2.gz KNBUIUMUGLLTQV-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM CSCC[C@@H]1CC[N-]C(=S)O1 238361158 573364895 /nfs/dbraw/zinc/36/48/95/573364895.db2.gz NSIYBCWSXONRJQ-LURJTMIESA-N -1 3 191.321 1.403 10 0 ADAEHM CCc1c([O-])ccc(C(C)=O)c1O 117764727 573367775 /nfs/dbraw/zinc/36/77/75/573367775.db2.gz WRLYGDRGLRWENL-UHFFFAOYSA-N -1 3 180.203 1.863 10 0 ADAEHM Cn1ccc2ccc([O-])cc2c1=O 258315648 573366817 /nfs/dbraw/zinc/36/68/17/573366817.db2.gz UBLAVYFGNUBHQN-UHFFFAOYSA-N -1 3 175.187 1.244 10 0 ADAEHM NCc1sc(C2CC2)nc1C(=O)[O-] 258315630 573366958 /nfs/dbraw/zinc/36/69/58/573366958.db2.gz UBHCZBRVWLZXBA-UHFFFAOYSA-N -1 3 198.247 1.177 10 0 ADAEHM [O-]c1cc(F)c(Cl)cc1CCO 258008843 573372266 /nfs/dbraw/zinc/37/22/66/573372266.db2.gz HFXRTEFYNZKESR-UHFFFAOYSA-N -1 3 190.601 1.720 10 0 ADAEHM CC(=O)Oc1ccc([O-])cc1F 224066186 573372437 /nfs/dbraw/zinc/37/24/37/573372437.db2.gz YJSUWGCBFWPKEM-UHFFFAOYSA-N -1 3 170.139 1.457 10 0 ADAEHM COc1cc([O-])c2c(c1)C(=O)CCC2 238372080 573372447 /nfs/dbraw/zinc/37/24/47/573372447.db2.gz IESMCBDNOIKAAC-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM NOCc1ccc([O-])cc1Cl 258014429 573373581 /nfs/dbraw/zinc/37/35/81/573373581.db2.gz NIFVVKVRBANPBR-UHFFFAOYSA-N -1 3 173.599 1.436 10 0 ADAEHM COC(=O)c1cc([O-])c(C=O)cc1C 238371613 573373621 /nfs/dbraw/zinc/37/36/21/573373621.db2.gz HLRRENYEQUJVMK-UHFFFAOYSA-N -1 3 194.186 1.300 10 0 ADAEHM CCCn1[n-]cc(C(=O)OCC)c1=O 133070120 573373847 /nfs/dbraw/zinc/37/38/47/573373847.db2.gz VFIISCVLHQQQKS-UHFFFAOYSA-N -1 3 198.222 1.175 10 0 ADAEHM CNCC(=O)c1cc(C)c(F)c([O-])c1 258016518 573374767 /nfs/dbraw/zinc/37/47/67/573374767.db2.gz HRVSDYUCGULLNN-UHFFFAOYSA-N -1 3 197.209 1.242 10 0 ADAEHM Nc1c(C(=O)[O-])oc2c(F)cccc12 107137947 573375803 /nfs/dbraw/zinc/37/58/03/573375803.db2.gz BKVLPROWBSOIFA-UHFFFAOYSA-N -1 3 195.149 1.852 10 0 ADAEHM COc1cc([O-])c2c(c1)C(=O)CC2 238372001 573375969 /nfs/dbraw/zinc/37/59/69/573375969.db2.gz FGZKRQMCRJMLTO-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM COc1c(C=O)cc([O-])c2ccoc12 238372734 573377261 /nfs/dbraw/zinc/37/72/61/573377261.db2.gz QBPLYUYRHKLRQL-UHFFFAOYSA-N -1 3 192.170 1.960 10 0 ADAEHM COc1cc([O-])c2c(c1)C(=O)O[C@@H]2C 238372527 573378290 /nfs/dbraw/zinc/37/82/90/573378290.db2.gz GTVVBTRVGVEJJU-RXMQYKEDSA-N -1 3 194.186 1.632 10 0 ADAEHM COc1cc([O-])c2c(c1)C(=O)O[C@H]2C 238372684 573380575 /nfs/dbraw/zinc/38/05/75/573380575.db2.gz GTVVBTRVGVEJJU-YFKPBYRVSA-N -1 3 194.186 1.632 10 0 ADAEHM COc1cc(F)c([O-])cc1[C@@H](C)O 258011441 573382628 /nfs/dbraw/zinc/38/26/28/573382628.db2.gz HKNYPMFLBXCLQG-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM CC1(C)COC(c2ccc([O-])cc2)=N1 117998850 573385073 /nfs/dbraw/zinc/38/50/73/573385073.db2.gz ZHEBOGJEFDFDSQ-UHFFFAOYSA-N -1 3 191.230 1.948 10 0 ADAEHM COc1ccc([O-])c(C(F)F)n1 238376206 573386721 /nfs/dbraw/zinc/38/67/21/573386721.db2.gz GLTIGTZAOBTPDW-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM CCCc1ncc2cc([O-])ccn12 258013095 573387231 /nfs/dbraw/zinc/38/72/31/573387231.db2.gz BNYMCZVUZBQJBG-UHFFFAOYSA-N -1 3 176.219 1.992 10 0 ADAEHM CC(=O)Nc1c([O-])cccc1[C@@H](C)O 258011578 573388120 /nfs/dbraw/zinc/38/81/20/573388120.db2.gz HNDWGKKSZWEUBB-ZCFIWIBFSA-N -1 3 195.218 1.404 10 0 ADAEHM CO[N-]C(=O)CCC(C)(C)C(C)=O 308373088 573388143 /nfs/dbraw/zinc/38/81/43/573388143.db2.gz QYGFBYXRLOECOF-UHFFFAOYSA-N -1 3 187.239 1.059 10 0 ADAEHM COc1ccc(C=O)c(C=O)c1[O-] 238377099 573388239 /nfs/dbraw/zinc/38/82/39/573388239.db2.gz WZDQUMGHHOQLTB-UHFFFAOYSA-N -1 3 180.159 1.026 10 0 ADAEHM CC(=O)Nc1c([O-])cccc1[C@H](C)O 258011576 573389736 /nfs/dbraw/zinc/38/97/36/573389736.db2.gz HNDWGKKSZWEUBB-LURJTMIESA-N -1 3 195.218 1.404 10 0 ADAEHM CCn1c(C(=O)[O-])cnc1NC(C)C 258013533 573389888 /nfs/dbraw/zinc/38/98/88/573389888.db2.gz CVGACHUNPIHKCD-UHFFFAOYSA-N -1 3 197.238 1.422 10 0 ADAEHM COc1ccc(CCO)c([O-])c1F 258011482 573389962 /nfs/dbraw/zinc/38/99/62/573389962.db2.gz HLESCNDSYHZSRN-UHFFFAOYSA-N -1 3 186.182 1.075 10 0 ADAEHM CN1CC[C@@H](C(F)(F)CC(=O)[O-])C1 257810574 573390968 /nfs/dbraw/zinc/39/09/68/573390968.db2.gz ANGWRZYWOGJFGU-ZCFIWIBFSA-N -1 3 193.193 1.048 10 0 ADAEHM Fc1cnccc1-c1n[n-]c(=S)o1 83094132 573394544 /nfs/dbraw/zinc/39/45/44/573394544.db2.gz GCPXFTGYQQXDCM-UHFFFAOYSA-N -1 3 197.194 1.559 10 0 ADAEHM O=C([O-])[C@@H]1C[C@@H]1CNCc1ccco1 258642923 573397153 /nfs/dbraw/zinc/39/71/53/573397153.db2.gz LWUIZEQFCFTRRL-VXNVDRBHSA-N -1 3 195.218 1.090 10 0 ADAEHM Cc1ncc(-c2cccnc2)c(=O)[n-]1 258645024 573400452 /nfs/dbraw/zinc/40/04/52/573400452.db2.gz WIJKZFXLKPRBGG-UHFFFAOYSA-N -1 3 187.202 1.553 10 0 ADAEHM O=C([O-])[C@@H]1C[C@H]1CNCc1ccco1 258642920 573400730 /nfs/dbraw/zinc/40/07/30/573400730.db2.gz LWUIZEQFCFTRRL-IONNQARKSA-N -1 3 195.218 1.090 10 0 ADAEHM N[C@H]1CCc2cc(F)c([O-])c(F)c21 211735576 573402654 /nfs/dbraw/zinc/40/26/54/573402654.db2.gz FGHWIJWSZSYPST-LURJTMIESA-N -1 3 185.173 1.616 10 0 ADAEHM COc1cc(O)c(C)c([O-])c1N=O 238390138 573401710 /nfs/dbraw/zinc/40/17/10/573401710.db2.gz WYIFDAMWOTXVPP-UHFFFAOYSA-N -1 3 183.163 1.813 10 0 ADAEHM Cc1nc(C2CCC2)[n-]c(=O)c1C 83120184 573411264 /nfs/dbraw/zinc/41/12/64/573411264.db2.gz KHWLMWGMYWQXSS-UHFFFAOYSA-N -1 3 178.235 1.654 10 0 ADAEHM COc1cc2c([O-])coc2cc1Cl 238389165 573408850 /nfs/dbraw/zinc/40/88/50/573408850.db2.gz RQLOBGYKKMJTMO-UHFFFAOYSA-N -1 3 198.605 1.924 10 0 ADAEHM Cc1c(C(C)C)[n-]oc1=O 107218005 573411330 /nfs/dbraw/zinc/41/13/30/573411330.db2.gz SEEIARJCLAEAIV-UHFFFAOYSA-N -1 3 141.170 1.400 10 0 ADAEHM COc1nc2c(Cl)n[n-]c2cc1C 238382050 573411502 /nfs/dbraw/zinc/41/15/02/573411502.db2.gz SECHIUPPCLYYBQ-UHFFFAOYSA-N -1 3 197.625 1.928 10 0 ADAEHM Cc1c(C2CC2)[n-]oc1=O 107217612 573411673 /nfs/dbraw/zinc/41/16/73/573411673.db2.gz YFLMABRSXOGABL-UHFFFAOYSA-N -1 3 139.154 1.566 10 0 ADAEHM C/C=C\CCNc1cc(=O)[n-]c(C)n1 308384526 573411765 /nfs/dbraw/zinc/41/17/65/573411765.db2.gz ZZSNFRZDKQELEZ-ARJAWSKDSA-N -1 3 193.250 1.869 10 0 ADAEHM Cc1c(C2CC2)[n-]oc1=O 107217587 573411781 /nfs/dbraw/zinc/41/17/81/573411781.db2.gz GJLLJKANDFQOOQ-UHFFFAOYSA-N -1 3 139.154 1.154 10 0 ADAEHM CCc1cc(=O)[n-]c(C2CCC2)n1 83120180 573414571 /nfs/dbraw/zinc/41/45/71/573414571.db2.gz JFZXYXRKYRYQDD-UHFFFAOYSA-N -1 3 178.235 1.600 10 0 ADAEHM CCc1nc(C2CCC2)[n-]c(=O)c1C 83120192 573413325 /nfs/dbraw/zinc/41/33/25/573413325.db2.gz CSGBRGXWDWZUNI-UHFFFAOYSA-N -1 3 192.262 1.908 10 0 ADAEHM CCc1c(C)nc(C2CCC2)[n-]c1=O 83120185 573413489 /nfs/dbraw/zinc/41/34/89/573413489.db2.gz MBKUQXKIBZVAJR-UHFFFAOYSA-N -1 3 192.262 1.908 10 0 ADAEHM O=c1[n-]c(C2CCC2)nc2c1CCC2 83120186 573414181 /nfs/dbraw/zinc/41/41/81/573414181.db2.gz JPGKCMURDHPZRG-UHFFFAOYSA-N -1 3 190.246 1.526 10 0 ADAEHM O=c1cc(C2CC2)nc(C2CCC2)[n-]1 83120191 573414374 /nfs/dbraw/zinc/41/43/74/573414374.db2.gz OPUNZORNCJGPGN-UHFFFAOYSA-N -1 3 190.246 1.915 10 0 ADAEHM CCCOCC(=O)[N-]c1ccno1 308387914 573415277 /nfs/dbraw/zinc/41/52/77/573415277.db2.gz YDGBKOLTMXYTTJ-UHFFFAOYSA-N -1 3 184.195 1.040 10 0 ADAEHM CCCc1cc(=O)[n-]c(C2CCC2)n1 83120178 573415305 /nfs/dbraw/zinc/41/53/05/573415305.db2.gz RYGHRYXJLRJIAQ-UHFFFAOYSA-N -1 3 192.262 1.990 10 0 ADAEHM CC(C)C[C@@](N)(C(=O)[O-])[C@H](C)F 257811181 573415381 /nfs/dbraw/zinc/41/53/81/573415381.db2.gz AYJGTJWAIYGIAP-XPUUQOCRSA-N -1 3 177.219 1.173 10 0 ADAEHM Cc1c(C2CCC2)[n-]oc1=O 107219047 573415975 /nfs/dbraw/zinc/41/59/75/573415975.db2.gz XAUHODVHBXSSGS-UHFFFAOYSA-N -1 3 153.181 1.544 10 0 ADAEHM [O-]c1ccc(C2CCOCC2)nc1F 118744817 573420130 /nfs/dbraw/zinc/42/01/30/573420130.db2.gz VBNXTISVAZQBBK-UHFFFAOYSA-N -1 3 197.209 1.820 10 0 ADAEHM COc1cc(N=O)c(OC)cc1[O-] 238385250 573421334 /nfs/dbraw/zinc/42/13/34/573421334.db2.gz BXHIYDCIZSFPIE-UHFFFAOYSA-N -1 3 183.163 1.807 10 0 ADAEHM COc1cc(=O)[nH]c(C(F)F)c1[O-] 238399336 573421222 /nfs/dbraw/zinc/42/12/22/573421222.db2.gz FYWIYSKAYLOLKQ-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM Cc1c(C2CCCC2)[n-]oc1=O 107222449 573421301 /nfs/dbraw/zinc/42/13/01/573421301.db2.gz BVSGKQUWDKRXFE-UHFFFAOYSA-N -1 3 167.208 1.934 10 0 ADAEHM CCN1CCC[C@@H](n2cc([O-])cn2)C1 258019370 573422444 /nfs/dbraw/zinc/42/24/44/573422444.db2.gz RLTMHLOGFDLDDI-SECBINFHSA-N -1 3 195.266 1.246 10 0 ADAEHM COc1cc([O-])c(Cl)c(O)c1 238391645 573422850 /nfs/dbraw/zinc/42/28/50/573422850.db2.gz BJYDDRCDAFUVNY-UHFFFAOYSA-N -1 3 174.583 1.760 10 0 ADAEHM COc1ccc2c([O-])c(C)oc2c1 83137680 573423067 /nfs/dbraw/zinc/42/30/67/573423067.db2.gz JLUMBZHKKNHJDG-ZCFIWIBFSA-N -1 3 178.187 1.659 10 0 ADAEHM CC(C)c1nc(C=O)cc(=O)[n-]1 107221761 573425573 /nfs/dbraw/zinc/42/55/73/573425573.db2.gz ATIVHAHXGJOHFK-UHFFFAOYSA-N -1 3 166.180 1.118 10 0 ADAEHM COc1cc([O-])c(C)nc1Cl 238390428 573425713 /nfs/dbraw/zinc/42/57/13/573425713.db2.gz OXVUOEVPFBNJSB-UHFFFAOYSA-N -1 3 173.599 1.758 10 0 ADAEHM CS[C@@]1(C)CCC(=O)C=C1[O-] 238391010 573425816 /nfs/dbraw/zinc/42/58/16/573425816.db2.gz ZHZVTXMKXJBWGE-QMMMGPOBSA-N -1 3 172.249 1.430 10 0 ADAEHM CS[C@@]1(C)CCC([O-])=CC1=O 238391010 573425821 /nfs/dbraw/zinc/42/58/21/573425821.db2.gz ZHZVTXMKXJBWGE-QMMMGPOBSA-N -1 3 172.249 1.430 10 0 ADAEHM CC[C@H]1c2[n-][nH]c(=O)c2CN1C 107222761 573429144 /nfs/dbraw/zinc/42/91/44/573429144.db2.gz GRQKXFJFPLXOFD-LURJTMIESA-N -1 3 167.212 1.012 10 0 ADAEHM C[C@@H]1SCc2c1nc[n-]c2=O 107223453 573428159 /nfs/dbraw/zinc/42/81/59/573428159.db2.gz VRKTZNMKCWPGPI-BYPYZUCNSA-N -1 3 168.221 1.490 10 0 ADAEHM COc1cc(=O)c(N)c(C(F)F)[n-]1 238392170 573428473 /nfs/dbraw/zinc/42/84/73/573428473.db2.gz GFEHCYJMGXRGFW-UHFFFAOYSA-N -1 3 190.149 1.316 10 0 ADAEHM CCCC1([C@H]2NC(=O)[N-]C2=O)CCC1 686131230 573428563 /nfs/dbraw/zinc/42/85/63/573428563.db2.gz DNZYGTSPOXLWFF-ZETCQYMHSA-N -1 3 196.250 1.165 10 0 ADAEHM Cc1ncc([C@@H](C)O)c(C=N)c1[O-] 238392533 573428601 /nfs/dbraw/zinc/42/86/01/573428601.db2.gz LXFQFHYKPUJCIN-ZCFIWIBFSA-N -1 3 180.207 1.147 10 0 ADAEHM CC(C)[C@H]1NCc2c1[n-]oc2=O 107223361 573429032 /nfs/dbraw/zinc/42/90/32/573429032.db2.gz LRXRDHPKGRXXPO-ZCFIWIBFSA-N -1 3 168.196 1.181 10 0 ADAEHM COc1cc(=O)cc(C(F)F)[n-]1 238394006 573433293 /nfs/dbraw/zinc/43/32/93/573433293.db2.gz XZDYFBLAZZWXEA-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM CC(=O)c1cc2c(c(F)c1[O-])OCO2 258030282 573433670 /nfs/dbraw/zinc/43/36/70/573433670.db2.gz IYROMLKPADFBKQ-UHFFFAOYSA-N -1 3 198.149 1.463 10 0 ADAEHM CC(C)(C)c1nc2ccc([O-])cn2n1 258030805 573431583 /nfs/dbraw/zinc/43/15/83/573431583.db2.gz SHODYOZOIKUMEV-UHFFFAOYSA-N -1 3 191.234 1.732 10 0 ADAEHM CC[C@@H]1c2[n-][nH]c(=O)c2CN1C 107222758 573431647 /nfs/dbraw/zinc/43/16/47/573431647.db2.gz GRQKXFJFPLXOFD-ZCFIWIBFSA-N -1 3 167.212 1.012 10 0 ADAEHM Cc1cc(Cl)cc(CON)c1[O-] 258030235 573431915 /nfs/dbraw/zinc/43/19/15/573431915.db2.gz IXFVKTYLEMLMOC-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM COC1[N-]C(=O)C(C(F)F)=CC1=O 238394325 573432098 /nfs/dbraw/zinc/43/20/98/573432098.db2.gz ZNRLRMPZLOKRET-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM CCCCOC(=O)c1ncc[n-]1 118858655 573433416 /nfs/dbraw/zinc/43/34/16/573433416.db2.gz YSBMKMFFLVZZTR-UHFFFAOYSA-N -1 3 168.196 1.367 10 0 ADAEHM CO[C@H]1CC(c2ccccc2[O-])=NO1 238394004 573433927 /nfs/dbraw/zinc/43/39/27/573433927.db2.gz CXPHQUXQNRFIKV-SNVBAGLBSA-N -1 3 193.202 1.489 10 0 ADAEHM CN[C@H](C)c1coc(C(=O)[O-])c1 258652468 573433993 /nfs/dbraw/zinc/43/39/93/573433993.db2.gz ZRVAVZFMADTFAJ-RXMQYKEDSA-N -1 3 169.180 1.258 10 0 ADAEHM CC(C)n1[n-]c(=O)c2cccc(O)c21 257811826 573434050 /nfs/dbraw/zinc/43/40/50/573434050.db2.gz BJMNJTDKGNJVEI-UHFFFAOYSA-N -1 3 192.218 1.616 10 0 ADAEHM COc1[n-]c(=O)c(F)cc1C(F)F 238394625 573434950 /nfs/dbraw/zinc/43/49/50/573434950.db2.gz FXVNUUNHLUGAKT-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM Cc1ccc(-n2cc([O-])cn2)s1 258030854 573435183 /nfs/dbraw/zinc/43/51/83/573435183.db2.gz SIKVZLGLECVBKK-UHFFFAOYSA-N -1 3 180.232 1.948 10 0 ADAEHM CN[C@@H](C)c1coc(C(=O)[O-])c1 258652470 573435228 /nfs/dbraw/zinc/43/52/28/573435228.db2.gz ZRVAVZFMADTFAJ-YFKPBYRVSA-N -1 3 169.180 1.258 10 0 ADAEHM Cc1cccc(/C=C/[C@@H](N)C(=O)[O-])c1 257812604 573435476 /nfs/dbraw/zinc/43/54/76/573435476.db2.gz BVTOOFYOGXFBBD-BRAIEQGRSA-N -1 3 191.230 1.420 10 0 ADAEHM CS[C@H](O)C(=O)c1ccccc1[O-] 238394079 573435480 /nfs/dbraw/zinc/43/54/80/573435480.db2.gz ACVNIKOYZJEPSS-VIFPVBQESA-N -1 3 198.243 1.256 10 0 ADAEHM COc1cc(O)cc([O-])c1Cl 238394653 573435525 /nfs/dbraw/zinc/43/55/25/573435525.db2.gz RIUKXKQJCWIJFF-UHFFFAOYSA-N -1 3 174.583 1.760 10 0 ADAEHM Cc1c(F)ccc([O-])c1CON 258030939 573435530 /nfs/dbraw/zinc/43/55/30/573435530.db2.gz PAJRJMKRPXUOAE-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM NCc1cc2[nH]c(C(=O)[O-])cc2s1 257813026 573435588 /nfs/dbraw/zinc/43/55/88/573435588.db2.gz CANVAMCGKYAKSQ-UHFFFAOYSA-N -1 3 196.231 1.386 10 0 ADAEHM COc1[n-]c(=O)c(C(F)F)cc1F 238394234 573435606 /nfs/dbraw/zinc/43/56/06/573435606.db2.gz KZRGAIZUPUKKLY-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM COc1cc2occ([O-])c2cc1Cl 238395568 573438555 /nfs/dbraw/zinc/43/85/55/573438555.db2.gz TXGJBUNWIYDSQK-UHFFFAOYSA-N -1 3 198.605 1.924 10 0 ADAEHM Cc1cccc(/C=C/[C@H](N)C(=O)[O-])c1 257812605 573435879 /nfs/dbraw/zinc/43/58/79/573435879.db2.gz BVTOOFYOGXFBBD-PORFMDCZSA-N -1 3 191.230 1.420 10 0 ADAEHM O=C([O-])C[C@@H](F)CN1CCCCC1 257812995 573435904 /nfs/dbraw/zinc/43/59/04/573435904.db2.gz BZSPJVYUWPTDGW-MRVPVSSYSA-N -1 3 189.230 1.285 10 0 ADAEHM N[C@H](c1ccccc1)c1cc(=O)o[n-]1 107233060 573436052 /nfs/dbraw/zinc/43/60/52/573436052.db2.gz DPEXHMKQVMXEAW-SNVBAGLBSA-N -1 3 190.202 1.428 10 0 ADAEHM N[C@H](c1ccccc1)c1cc(=O)o[n-]1 107233066 573436595 /nfs/dbraw/zinc/43/65/95/573436595.db2.gz PCROTYLLNAVBJW-SNVBAGLBSA-N -1 3 190.202 1.016 10 0 ADAEHM C[C@@H]1NCc2cccc(C(=O)[O-])c21 238396374 573436652 /nfs/dbraw/zinc/43/66/52/573436652.db2.gz UMJWKAFSCFEGCB-LURJTMIESA-N -1 3 177.203 1.549 10 0 ADAEHM COc1cc([O-])cc2c1CCC2=O 238395500 573437422 /nfs/dbraw/zinc/43/74/22/573437422.db2.gz ALMYGSMQNPYOBO-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM COc1nc(=O)[n-]c2c1CCCCC2 257812901 573437506 /nfs/dbraw/zinc/43/75/06/573437506.db2.gz BXPPQFYAVPYZJR-UHFFFAOYSA-N -1 3 194.234 1.460 10 0 ADAEHM C[C@@H]1NCc2c(C(=O)[O-])cccc21 238395759 573437630 /nfs/dbraw/zinc/43/76/30/573437630.db2.gz WOJKFPMJXJHFFR-LURJTMIESA-N -1 3 177.203 1.549 10 0 ADAEHM COc1cc([O-])cc2ncn(C)c12 238396261 573437844 /nfs/dbraw/zinc/43/78/44/573437844.db2.gz UASOZWNASMWQQN-UHFFFAOYSA-N -1 3 178.191 1.288 10 0 ADAEHM COC(=O)c1ccc([O-])cc1SC 238395899 573437974 /nfs/dbraw/zinc/43/79/74/573437974.db2.gz FTAGUSUVSWVYEL-UHFFFAOYSA-N -1 3 198.243 1.901 10 0 ADAEHM COc1ccc2c(c1[O-])COC2=O 238395392 573437986 /nfs/dbraw/zinc/43/79/86/573437986.db2.gz DXCVVJGBIFJVPB-UHFFFAOYSA-N -1 3 180.159 1.071 10 0 ADAEHM O=C([O-])C[C@H](F)CN1CCCCC1 257812997 573438225 /nfs/dbraw/zinc/43/82/25/573438225.db2.gz BZSPJVYUWPTDGW-QMMMGPOBSA-N -1 3 189.230 1.285 10 0 ADAEHM COc1[n-]c(=O)cc(F)c1C(F)F 238395581 573438466 /nfs/dbraw/zinc/43/84/66/573438466.db2.gz GWQVGAYSJAZABV-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM CC[C@](C)(C(=O)[O-])N1CC=CC1 118912216 573439238 /nfs/dbraw/zinc/43/92/38/573439238.db2.gz LAHCCMQMBKRUJY-SECBINFHSA-N -1 3 169.224 1.112 10 0 ADAEHM COc1cc([O-])cc2c1CCC(=O)O2 238395622 573439303 /nfs/dbraw/zinc/43/93/03/573439303.db2.gz ILQWPLQONWTZML-UHFFFAOYSA-N -1 3 194.186 1.252 10 0 ADAEHM N[C@H](/C=C/c1ccc(F)cc1)C(=O)[O-] 257812560 573439423 /nfs/dbraw/zinc/43/94/23/573439423.db2.gz BTYHDJXBRXYQMR-BSPAPZMXSA-N -1 3 195.193 1.251 10 0 ADAEHM CCC[C@](C)(F)c1cc(=O)[n-]cn1 144238125 573440254 /nfs/dbraw/zinc/44/02/54/573440254.db2.gz GNTILNLLIWUWIG-VIFPVBQESA-N -1 3 184.214 1.755 10 0 ADAEHM COc1[n-]c(=O)cc(C(F)F)c1F 238395161 573439816 /nfs/dbraw/zinc/43/98/16/573439816.db2.gz XRTMJKSGVGPCQL-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM CC(C)[C@H]1[N-]C(=S)OC1(C)C 210061600 573439891 /nfs/dbraw/zinc/43/98/91/573439891.db2.gz JACWLYWDRFCVBC-ZCFIWIBFSA-N -1 3 173.281 1.694 10 0 ADAEHM COc1ccc2c(c1[O-])CCOC2=O 238395308 573439986 /nfs/dbraw/zinc/43/99/86/573439986.db2.gz SZSKOYHBKTVEFK-UHFFFAOYSA-N -1 3 194.186 1.114 10 0 ADAEHM COc1cccc2oc(C)c([O-])c12 238397970 573441261 /nfs/dbraw/zinc/44/12/61/573441261.db2.gz UNXFPXAHPKCXQF-LURJTMIESA-N -1 3 178.187 1.659 10 0 ADAEHM N[C@@H](c1ccccc1)c1cc(=O)o[n-]1 107233058 573441269 /nfs/dbraw/zinc/44/12/69/573441269.db2.gz DPEXHMKQVMXEAW-JTQLQIEISA-N -1 3 190.202 1.428 10 0 ADAEHM CC[C@@](C)(C(=O)[O-])N1CC=CC1 118912212 573441325 /nfs/dbraw/zinc/44/13/25/573441325.db2.gz LAHCCMQMBKRUJY-VIFPVBQESA-N -1 3 169.224 1.112 10 0 ADAEHM CC(C)[C@H]1NCCc2c1[n-]oc2=O 107229317 573441480 /nfs/dbraw/zinc/44/14/80/573441480.db2.gz WZJFNEOJQBYZOU-SSDOTTSWSA-N -1 3 182.223 1.223 10 0 ADAEHM CN1CCc2c([O-])cccc2C1=O 107252413 573443838 /nfs/dbraw/zinc/44/38/38/573443838.db2.gz DKDPNISKAYQNHG-UHFFFAOYSA-N -1 3 177.203 1.020 10 0 ADAEHM COc1ccc2c(c1)O[N-]C(=O)CC2 238397271 573443956 /nfs/dbraw/zinc/44/39/56/573443956.db2.gz NXZAYMGXZZYCJZ-UHFFFAOYSA-N -1 3 193.202 1.051 10 0 ADAEHM C[C@@H]1N[C@@H](CC(=O)[O-])C(C)(C)S1 238397537 573444449 /nfs/dbraw/zinc/44/44/49/573444449.db2.gz KGPACEMKKNYZRY-RITPCOANSA-N -1 3 189.280 1.291 10 0 ADAEHM COc1ccc([O-])c(-c2nnco2)c1 238398281 573445662 /nfs/dbraw/zinc/44/56/62/573445662.db2.gz AXAPYSODVAMVLF-UHFFFAOYSA-N -1 3 192.174 1.451 10 0 ADAEHM C[C@H](N)c1onc2c([O-])cccc12 257816720 573447411 /nfs/dbraw/zinc/44/74/11/573447411.db2.gz DJEOGNZYOFUAIW-YFKPBYRVSA-N -1 3 178.191 1.553 10 0 ADAEHM Nc1c[nH]nc1-c1ccccc1[O-] 257816684 573447675 /nfs/dbraw/zinc/44/76/75/573447675.db2.gz DHCWTZGWOPWIRK-UHFFFAOYSA-N -1 3 175.191 1.365 10 0 ADAEHM CCNc1ncc(C(=O)[O-])n1C(C)C 258346772 573447870 /nfs/dbraw/zinc/44/78/70/573447870.db2.gz YEBDWVXMXGCSIU-UHFFFAOYSA-N -1 3 197.238 1.594 10 0 ADAEHM COc1cnc(C(F)F)c([O-])c1N 238399257 573448472 /nfs/dbraw/zinc/44/84/72/573448472.db2.gz YRQWNOROHTWOGP-UHFFFAOYSA-N -1 3 190.149 1.316 10 0 ADAEHM COc1cc([O-])ccc1[S@@](C)=O 238398267 573449404 /nfs/dbraw/zinc/44/94/04/573449404.db2.gz CKCCQICEKHDKKP-GFCCVEGCSA-N -1 3 186.232 1.138 10 0 ADAEHM CS[C@]1(C)CCC(=O)C=C1[O-] 238398463 573449416 /nfs/dbraw/zinc/44/94/16/573449416.db2.gz ZHZVTXMKXJBWGE-MRVPVSSYSA-N -1 3 172.249 1.430 10 0 ADAEHM CS[C@]1(C)CCC([O-])=CC1=O 238398463 573449420 /nfs/dbraw/zinc/44/94/20/573449420.db2.gz ZHZVTXMKXJBWGE-MRVPVSSYSA-N -1 3 172.249 1.430 10 0 ADAEHM COc1cc(=O)[n-]c(C(F)F)c1F 238399229 573449549 /nfs/dbraw/zinc/44/95/49/573449549.db2.gz IMYHZPATLAQYLX-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM C[C@H]1CC(=O)N(c2ccccc2[O-])N1 257817291 573451715 /nfs/dbraw/zinc/45/17/15/573451715.db2.gz DUSDRYODSHNSJM-ZETCQYMHSA-N -1 3 192.218 1.022 10 0 ADAEHM CN1CCC[C@H]1c1oncc1C(=O)[O-] 257817276 573450597 /nfs/dbraw/zinc/45/05/97/573450597.db2.gz DUGLXYSYWCMBJS-ZETCQYMHSA-N -1 3 196.206 1.140 10 0 ADAEHM C[C@@](F)(CO)c1ccccc1[O-] 257817139 573450866 /nfs/dbraw/zinc/45/08/66/573450866.db2.gz CDOUHUNIPCMVLI-SECBINFHSA-N -1 3 170.183 1.569 10 0 ADAEHM NN=c1[nH]c2cccc([O-])c2s1 258351618 573451283 /nfs/dbraw/zinc/45/12/83/573451283.db2.gz VZMMHVOWFJMYLA-UHFFFAOYSA-N -1 3 181.220 1.288 10 0 ADAEHM C[C@](F)(CO)c1ccccc1[O-] 257817141 573451616 /nfs/dbraw/zinc/45/16/16/573451616.db2.gz CDOUHUNIPCMVLI-VIFPVBQESA-N -1 3 170.183 1.569 10 0 ADAEHM O=Cc1oncc1-c1ccccc1[O-] 257817015 573452179 /nfs/dbraw/zinc/45/21/79/573452179.db2.gz BZPBYBYOAPWXEV-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM C[C@@H]1OC(=S)[N-][C@@H]2CCCC[C@@H]12 238406179 573452768 /nfs/dbraw/zinc/45/27/68/573452768.db2.gz VNLPSFLXAWOQBF-BIIVOSGPSA-N -1 3 185.292 1.838 10 0 ADAEHM Cc1cc(C)c(C)c([C@@H](N)C(=O)[O-])c1 215216709 573454227 /nfs/dbraw/zinc/45/42/27/573454227.db2.gz WECQEBMDCWRTAS-SNVBAGLBSA-N -1 3 193.246 1.696 10 0 ADAEHM Cc1cc2c([O-])cccc2c(=O)n1C 258354118 573455396 /nfs/dbraw/zinc/45/53/96/573455396.db2.gz WBXAXPBVZFXRFH-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM O=c1nncc(-c2cccc(F)c2)[n-]1 257817753 573456006 /nfs/dbraw/zinc/45/60/06/573456006.db2.gz DZNMNPSWPYPUKH-UHFFFAOYSA-N -1 3 191.165 1.383 10 0 ADAEHM Cc1oc2cc(N(C)C)ccc2c1[O-] 142647103 573456312 /nfs/dbraw/zinc/45/63/12/573456312.db2.gz ZAFPJEBJIRGLJG-ZETCQYMHSA-N -1 3 191.230 1.716 10 0 ADAEHM CC(=O)[N-]C(=O)c1ccccc1C 142666473 573456614 /nfs/dbraw/zinc/45/66/14/573456614.db2.gz ZSFHUZUJASSCQO-UHFFFAOYSA-N -1 3 177.203 1.271 10 0 ADAEHM CCCC1=C(C(=O)[O-])CN(C)CC1 257817907 573458047 /nfs/dbraw/zinc/45/80/47/573458047.db2.gz DVJUUPFVZGEQLJ-UHFFFAOYSA-N -1 3 183.251 1.503 10 0 ADAEHM Cc1nc2ccc([O-])cn2c1C=O 257814008 573459129 /nfs/dbraw/zinc/45/91/29/573459129.db2.gz CHYOAYKQQILUNG-UHFFFAOYSA-N -1 3 176.175 1.161 10 0 ADAEHM [O-]c1ccc(CC2(O)CC2)c(F)c1 258033315 573461736 /nfs/dbraw/zinc/46/17/36/573461736.db2.gz JDBXAMUSXZIMRI-UHFFFAOYSA-N -1 3 182.194 1.599 10 0 ADAEHM C[C@H]1C(=O)C=C([O-])C1(C)C 211791039 573461483 /nfs/dbraw/zinc/46/14/83/573461483.db2.gz JUVLXGXZVMCSSU-YFKPBYRVSA-N -1 3 140.182 1.191 10 0 ADAEHM C[C@H](N)c1cc([O-])ccc1C=O 258035050 573465389 /nfs/dbraw/zinc/46/53/89/573465389.db2.gz PNJOEYKYIJQVGI-LURJTMIESA-N -1 3 165.192 1.224 10 0 ADAEHM C[C@@H]1Cc2cc([O-])ccc2C(=O)O1 238405428 573462629 /nfs/dbraw/zinc/46/26/29/573462629.db2.gz GSASJOWNCIINEK-ZCFIWIBFSA-N -1 3 178.187 1.494 10 0 ADAEHM O=C([O-])C1(NCc2ccoc2)CCC1 130185002 573462815 /nfs/dbraw/zinc/46/28/15/573462815.db2.gz DCJASQGAYGNDEU-UHFFFAOYSA-N -1 3 195.218 1.377 10 0 ADAEHM O=C1C[C@@H](C2CCCCCC2)O[N-]1 257814547 573463327 /nfs/dbraw/zinc/46/33/27/573463327.db2.gz CLHYGFVTNXRTMM-VIFPVBQESA-N -1 3 183.251 1.777 10 0 ADAEHM CC(=O)NCc1cc([O-])cc(Cl)c1 142686419 573463446 /nfs/dbraw/zinc/46/34/46/573463446.db2.gz HZVWQUVWDSEDFS-UHFFFAOYSA-N -1 3 199.637 1.682 10 0 ADAEHM CCSc1nc(=O)[n-]n1C(C)C 139878216 573463556 /nfs/dbraw/zinc/46/35/56/573463556.db2.gz DIHVEGJHGVEEMS-UHFFFAOYSA-N -1 3 187.268 1.264 10 0 ADAEHM Cc1cc([O-])c(F)c(C2(O)CC2)c1 258036031 573464401 /nfs/dbraw/zinc/46/44/01/573464401.db2.gz JIYRDCRCSGQCHB-UHFFFAOYSA-N -1 3 182.194 1.821 10 0 ADAEHM COc1ncc(C(F)F)c(F)c1[O-] 238404491 573464455 /nfs/dbraw/zinc/46/44/55/573464455.db2.gz CMBSFOMZDNNZHO-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM C[C@@H](N)c1cc([O-])ccc1C=O 258035053 573464519 /nfs/dbraw/zinc/46/45/19/573464519.db2.gz PNJOEYKYIJQVGI-ZCFIWIBFSA-N -1 3 165.192 1.224 10 0 ADAEHM C[C@H](F)CN1CCC(C(=O)[O-])CC1 107272931 573464825 /nfs/dbraw/zinc/46/48/25/573464825.db2.gz JEBYHEAMUXXJMU-ZETCQYMHSA-N -1 3 189.230 1.141 10 0 ADAEHM CSC(=O)c1c(C)cc([O-])cc1O 238405475 573464854 /nfs/dbraw/zinc/46/48/54/573464854.db2.gz YFQVQRCDNGAXQX-UHFFFAOYSA-N -1 3 198.243 1.909 10 0 ADAEHM [O-]c1ccccc1-c1oncc1CO 258393197 573465691 /nfs/dbraw/zinc/46/56/91/573465691.db2.gz BGEPSBZZWKKENN-UHFFFAOYSA-N -1 3 191.186 1.540 10 0 ADAEHM S=c1nc2[nH]ccnc-2c(=S)[n-]1 140532624 573465379 /nfs/dbraw/zinc/46/53/79/573465379.db2.gz NVJMRINSWKVAKE-UHFFFAOYSA-N -1 3 196.260 1.745 10 0 ADAEHM C[C@H]1CN(c2ccccc2[O-])C(=O)N1 257815595 573465489 /nfs/dbraw/zinc/46/54/89/573465489.db2.gz CZRDJTARXLSGKO-ZETCQYMHSA-N -1 3 192.218 1.310 10 0 ADAEHM COc1[n-]cc(C(F)F)c(=O)c1O 238405744 573471031 /nfs/dbraw/zinc/47/10/31/573471031.db2.gz KXOMRYNLKZJVJO-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM COc1cc(C)ccc1[C@H](N)C(=O)[O-] 75068152 573471619 /nfs/dbraw/zinc/47/16/19/573471619.db2.gz FAUSJSRFLFWPIU-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM N[C@H](C(=O)[O-])c1csc(Cl)c1 75086656 573476266 /nfs/dbraw/zinc/47/62/66/573476266.db2.gz IMDORJHIDLCZLL-YFKPBYRVSA-N -1 3 191.639 1.486 10 0 ADAEHM N[C@@H](C(=O)[O-])c1csc(Cl)c1 75086659 573476273 /nfs/dbraw/zinc/47/62/73/573476273.db2.gz IMDORJHIDLCZLL-RXMQYKEDSA-N -1 3 191.639 1.486 10 0 ADAEHM CNCC(=O)c1ccc(C)c(F)c1[O-] 258045114 573476319 /nfs/dbraw/zinc/47/63/19/573476319.db2.gz KBCPQSFHRINNCQ-UHFFFAOYSA-N -1 3 197.209 1.242 10 0 ADAEHM C[C@@H]1COc2cc([O-])c(C=O)cc21 238413366 573476340 /nfs/dbraw/zinc/47/63/40/573476340.db2.gz WUSANDAGIDUVFY-ZCFIWIBFSA-N -1 3 178.187 1.701 10 0 ADAEHM CCC(=O)Cc1[n-]oc(=O)c1C 107286092 573476840 /nfs/dbraw/zinc/47/68/40/573476840.db2.gz IHLWSEYPTLYBDL-UHFFFAOYSA-N -1 3 169.180 1.210 10 0 ADAEHM CN1CCC[C@H]1c1cnoc1C(=O)[O-] 257818314 573477528 /nfs/dbraw/zinc/47/75/28/573477528.db2.gz FCLNEKCTTUJXDS-ZETCQYMHSA-N -1 3 196.206 1.140 10 0 ADAEHM NC1(c2ccc(C(=O)[O-])s2)CC1 257818422 573477566 /nfs/dbraw/zinc/47/75/66/573477566.db2.gz DYXIRWYGJKNYSB-UHFFFAOYSA-N -1 3 183.232 1.394 10 0 ADAEHM CN1CC[C@](F)(C(C)(C)C(=O)[O-])C1 257818304 573478252 /nfs/dbraw/zinc/47/82/52/573478252.db2.gz FBZSGSLYEWVOPB-SECBINFHSA-N -1 3 189.230 1.141 10 0 ADAEHM CN1CCC[C@@H]1c1cnoc1C(=O)[O-] 257818313 573478288 /nfs/dbraw/zinc/47/82/88/573478288.db2.gz FCLNEKCTTUJXDS-SSDOTTSWSA-N -1 3 196.206 1.140 10 0 ADAEHM NCC(F)(F)c1ccc([O-])cc1F 257818169 573478439 /nfs/dbraw/zinc/47/84/39/573478439.db2.gz CSGWZOWWZGZMQJ-UHFFFAOYSA-N -1 3 191.152 1.582 10 0 ADAEHM Cc1c([C@H]2CCCCN2)[n-]oc1=O 107285760 573478834 /nfs/dbraw/zinc/47/88/34/573478834.db2.gz LVMXOLXOXCWNIA-SSDOTTSWSA-N -1 3 182.223 1.091 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)SC[C@@H](C)C2 238415064 573483209 /nfs/dbraw/zinc/48/32/09/573483209.db2.gz JNSRHRIKBNIXJU-YFKPBYRVSA-N -1 3 196.275 1.363 10 0 ADAEHM CC(C)c1[nH][nH]c2ccc([O-])c1-2 107296864 573483384 /nfs/dbraw/zinc/48/33/84/573483384.db2.gz WYWKQGULSQQISC-UHFFFAOYSA-N -1 3 164.208 1.662 10 0 ADAEHM O=c1nc(-c2ccccc2)c(F)c[n-]1 236279073 573484432 /nfs/dbraw/zinc/48/44/32/573484432.db2.gz ITKHTUVQJGGPJC-UHFFFAOYSA-N -1 3 190.177 1.576 10 0 ADAEHM C[C@H](O)c1ncc2cc([O-])ccn12 257820210 573487468 /nfs/dbraw/zinc/48/74/68/573487468.db2.gz FOVIFQTUPSJVET-LURJTMIESA-N -1 3 178.191 1.093 10 0 ADAEHM Cc1cc(CCON)cc([O-])c1F 258039338 573489401 /nfs/dbraw/zinc/48/94/01/573489401.db2.gz JTAWSKRFSHFTGE-UHFFFAOYSA-N -1 3 185.198 1.273 10 0 ADAEHM C[C@H](F)c1cc(CON)ccc1[O-] 258039193 573486912 /nfs/dbraw/zinc/48/69/12/573486912.db2.gz JQKCSSVWKHMARP-LURJTMIESA-N -1 3 185.198 1.813 10 0 ADAEHM [O-]c1ccc(CCCO)c(F)c1F 258039200 573487266 /nfs/dbraw/zinc/48/72/66/573487266.db2.gz JQOGBJPYCCOOKT-UHFFFAOYSA-N -1 3 188.173 1.595 10 0 ADAEHM CC(=O)Nc1cc(C)c(C=O)cc1[O-] 214713159 573488281 /nfs/dbraw/zinc/48/82/81/573488281.db2.gz KSUHKCROSWBSNG-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM C[C@@H](O)c1ncc2cc([O-])ccn12 257820211 573488939 /nfs/dbraw/zinc/48/89/39/573488939.db2.gz FOVIFQTUPSJVET-ZCFIWIBFSA-N -1 3 178.191 1.093 10 0 ADAEHM COc1ncc(C(F)F)cc1[O-] 238406327 573489417 /nfs/dbraw/zinc/48/94/17/573489417.db2.gz IEEFQNPABVEJTP-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM CC(=O)Nc1cc(C)c([O-])c(C=O)c1 214713759 573490176 /nfs/dbraw/zinc/49/01/76/573490176.db2.gz MEDBKXVLTJVPCE-UHFFFAOYSA-N -1 3 193.202 1.472 10 0 ADAEHM C[C@H](CO)c1cc(F)cc(F)c1[O-] 258042543 573491807 /nfs/dbraw/zinc/49/18/07/573491807.db2.gz JZMXLWSATIZPHO-RXMQYKEDSA-N -1 3 188.173 1.766 10 0 ADAEHM Nc1ncc(-c2cccs2)c(=O)[n-]1 258694717 573492052 /nfs/dbraw/zinc/49/20/52/573492052.db2.gz ZJCWZWRQQLFSGP-UHFFFAOYSA-N -1 3 193.231 1.493 10 0 ADAEHM C[C@@H](CO)c1cc(F)cc(F)c1[O-] 258042545 573492212 /nfs/dbraw/zinc/49/22/12/573492212.db2.gz JZMXLWSATIZPHO-YFKPBYRVSA-N -1 3 188.173 1.766 10 0 ADAEHM CN(C)Cc1ccc(O)cc1C(=O)[O-] 258040852 573492918 /nfs/dbraw/zinc/49/29/18/573492918.db2.gz DKTYFOJZCYXYGL-UHFFFAOYSA-N -1 3 195.218 1.152 10 0 ADAEHM C[C@](F)(c1ccccc1)[C@@H](N)C(=O)[O-] 238408595 573492578 /nfs/dbraw/zinc/49/25/78/573492578.db2.gz ZGLZJRYDTCHBNC-WPRPVWTQSA-N -1 3 197.209 1.283 10 0 ADAEHM CCc1ccc([C@@H](N)C(=O)[O-])cc1C 258042448 573492705 /nfs/dbraw/zinc/49/27/05/573492705.db2.gz JWOGSCNPLJGUEM-SNVBAGLBSA-N -1 3 193.246 1.642 10 0 ADAEHM CC(C)N1Cc2c([n-]oc2=O)[C@H]1C 107229365 573493157 /nfs/dbraw/zinc/49/31/57/573493157.db2.gz RLKPWFNBFKPSQL-ZCFIWIBFSA-N -1 3 182.223 1.253 10 0 ADAEHM CSc1ccc([O-])c(CON)c1 258042533 573493227 /nfs/dbraw/zinc/49/32/27/573493227.db2.gz JZCGGDDCYAGUKP-UHFFFAOYSA-N -1 3 185.248 1.504 10 0 ADAEHM COc1c(F)ccc([O-])c1C=O 238408174 573493395 /nfs/dbraw/zinc/49/33/95/573493395.db2.gz LSXGVMKFVFMKHQ-UHFFFAOYSA-N -1 3 170.139 1.352 10 0 ADAEHM CCc1ccc([C@H](N)C(=O)[O-])cc1C 258042446 573495007 /nfs/dbraw/zinc/49/50/07/573495007.db2.gz JWOGSCNPLJGUEM-JTQLQIEISA-N -1 3 193.246 1.642 10 0 ADAEHM Cc1cc(CC2(O)CC2)cc([O-])c1F 258042568 573496405 /nfs/dbraw/zinc/49/64/05/573496405.db2.gz KABMWAIJXWFMQJ-UHFFFAOYSA-N -1 3 196.221 1.907 10 0 ADAEHM Cc1cc(CCO)cc([O-])c1F 258044382 573496416 /nfs/dbraw/zinc/49/64/16/573496416.db2.gz QKKSKTAEVOVPJZ-UHFFFAOYSA-N -1 3 170.183 1.375 10 0 ADAEHM COc1ncc(N)c(C(F)F)c1[O-] 238417417 573498613 /nfs/dbraw/zinc/49/86/13/573498613.db2.gz UZWOFDYEGRATBF-UHFFFAOYSA-N -1 3 190.149 1.316 10 0 ADAEHM Cc1c[nH]c2ccc(CON)c([O-])c12 258047667 573498672 /nfs/dbraw/zinc/49/86/72/573498672.db2.gz KHFZABWZRZXRHN-UHFFFAOYSA-N -1 3 192.218 1.572 10 0 ADAEHM C[C@H]1NCc2[n-]n(C(C)(C)C)c(=O)c21 258044844 573498749 /nfs/dbraw/zinc/49/87/49/573498749.db2.gz JOTSUFAUCIUUTE-ZCFIWIBFSA-N -1 3 195.266 1.508 10 0 ADAEHM Cc1ccc([C@H](N)C[C@H](C)C(=O)[O-])o1 259108185 573498774 /nfs/dbraw/zinc/49/87/74/573498774.db2.gz BIXZZAXOVNRONN-POYBYMJQSA-N -1 3 197.234 1.699 10 0 ADAEHM CONCc1cc([O-])c(F)cc1F 258047657 573498869 /nfs/dbraw/zinc/49/88/69/573498869.db2.gz KHBPERKFNCEKRR-UHFFFAOYSA-N -1 3 189.161 1.321 10 0 ADAEHM COC(=O)C(Cl)=C(C)[O-] 213253199 573499645 /nfs/dbraw/zinc/49/96/45/573499645.db2.gz VIVPUZFUFVXVEH-ARJAWSKDSA-N -1 3 150.561 1.188 10 0 ADAEHM C[C@@H]1NCc2[n-]n(C(C)(C)C)c(=O)c21 258044843 573502147 /nfs/dbraw/zinc/50/21/47/573502147.db2.gz JOTSUFAUCIUUTE-LURJTMIESA-N -1 3 195.266 1.508 10 0 ADAEHM C[C@@H](CC(=O)[O-])[C@@H](N)c1ccccn1 259481092 573502371 /nfs/dbraw/zinc/50/23/71/573502371.db2.gz SJJACXCGNZJMFL-OIBJUYFYSA-N -1 3 194.234 1.192 10 0 ADAEHM C[C@@H]1O[C@@H]1C(=O)Nc1ccccc1[O-] 238418358 573502650 /nfs/dbraw/zinc/50/26/50/573502650.db2.gz DKRNNYZXQFNOMG-RCOVLWMOSA-N -1 3 193.202 1.118 10 0 ADAEHM COc1ncc([O-])c(C(F)F)c1N 238419282 573503709 /nfs/dbraw/zinc/50/37/09/573503709.db2.gz DWYVASKSXTWCOO-UHFFFAOYSA-N -1 3 190.149 1.316 10 0 ADAEHM Cc1cc(C[C@H](C)O)cc([O-])c1F 258050364 573503766 /nfs/dbraw/zinc/50/37/66/573503766.db2.gz KNROXPUUCLYESG-ZETCQYMHSA-N -1 3 184.210 1.763 10 0 ADAEHM C[C@H](CC(=O)[O-])[C@H](N)c1ccccn1 259481093 573504319 /nfs/dbraw/zinc/50/43/19/573504319.db2.gz SJJACXCGNZJMFL-XCBNKYQSSA-N -1 3 194.234 1.192 10 0 ADAEHM [O-]c1c(CC2(O)CC2)ccc(O)c1F 258047859 573505727 /nfs/dbraw/zinc/50/57/27/573505727.db2.gz KKUOIFFXNFVHIR-UHFFFAOYSA-N -1 3 198.193 1.304 10 0 ADAEHM CCc1ccc(F)c([C@@H](N)C(=O)[O-])c1 258050416 573505807 /nfs/dbraw/zinc/50/58/07/573505807.db2.gz KOKDUWMVLKLGBE-SECBINFHSA-N -1 3 197.209 1.473 10 0 ADAEHM CCc1ccc(F)c([C@H](N)C(=O)[O-])c1 258050418 573507058 /nfs/dbraw/zinc/50/70/58/573507058.db2.gz KOKDUWMVLKLGBE-VIFPVBQESA-N -1 3 197.209 1.473 10 0 ADAEHM N[C@H](C(=O)[O-])[C@@H](F)C1CCCCC1 257821865 573510766 /nfs/dbraw/zinc/51/07/66/573510766.db2.gz GBBSXOGXVFISQZ-YUMQZZPRSA-N -1 3 189.230 1.317 10 0 ADAEHM CN1N=CC(=O)C1c1ccccc1[O-] 257823734 573510899 /nfs/dbraw/zinc/51/08/99/573510899.db2.gz GQFXLMMMEMJVAH-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM N[C@H](C(=O)[O-])[C@H](F)C1CCCCC1 257821864 573513098 /nfs/dbraw/zinc/51/30/98/573513098.db2.gz GBBSXOGXVFISQZ-SFYZADRCSA-N -1 3 189.230 1.317 10 0 ADAEHM N[C@@H](C(=O)[O-])[C@@H](F)C1CCCCC1 257821862 573513121 /nfs/dbraw/zinc/51/31/21/573513121.db2.gz GBBSXOGXVFISQZ-JGVFFNPUSA-N -1 3 189.230 1.317 10 0 ADAEHM N[C@H](/C=C/C(=O)[O-])c1ccccc1F 259484477 573515387 /nfs/dbraw/zinc/51/53/87/573515387.db2.gz PWZHBVLFXGMIEF-VUHVRTRXSA-N -1 3 195.193 1.466 10 0 ADAEHM C[C@@H](c1ccc(C(=O)[O-])[nH]1)N(C)C 257822725 573516240 /nfs/dbraw/zinc/51/62/40/573516240.db2.gz GGWZKFMMKTWUMM-LURJTMIESA-N -1 3 182.223 1.336 10 0 ADAEHM Cc1ccccc1/C=C/[C@H](N)C(=O)[O-] 257823146 573516318 /nfs/dbraw/zinc/51/63/18/573516318.db2.gz GNEHURCLXZMBBP-FGEFZZPRSA-N -1 3 191.230 1.420 10 0 ADAEHM N[C@@H](/C=C/C(=O)[O-])c1ccccc1F 259484476 573516518 /nfs/dbraw/zinc/51/65/18/573516518.db2.gz PWZHBVLFXGMIEF-CYNONHLPSA-N -1 3 195.193 1.466 10 0 ADAEHM COc1cc([O-])c2cc[nH]c2c1 107327788 573516869 /nfs/dbraw/zinc/51/68/69/573516869.db2.gz IQHBBMQEQUBIMR-UHFFFAOYSA-N -1 3 163.176 1.882 10 0 ADAEHM C[C@@H](N)C(F)(F)c1ccccc1[O-] 257824071 573517445 /nfs/dbraw/zinc/51/74/45/573517445.db2.gz GRNIJFFUHNADNB-ZCFIWIBFSA-N -1 3 187.189 1.831 10 0 ADAEHM C[C@@H](CCNCc1ccco1)C(=O)[O-] 258733864 573517472 /nfs/dbraw/zinc/51/74/72/573517472.db2.gz VLIABAWQDCHVCM-QMMMGPOBSA-N -1 3 197.234 1.480 10 0 ADAEHM C[C@H](N)C(F)(F)c1ccccc1[O-] 257824070 573517643 /nfs/dbraw/zinc/51/76/43/573517643.db2.gz GRNIJFFUHNADNB-LURJTMIESA-N -1 3 187.189 1.831 10 0 ADAEHM Cc1ccccc1/C=C/[C@@H](N)C(=O)[O-] 257823147 573517875 /nfs/dbraw/zinc/51/78/75/573517875.db2.gz GNEHURCLXZMBBP-VQCYPWCPSA-N -1 3 191.230 1.420 10 0 ADAEHM COc1nccc(C(F)F)c1[O-] 238423663 573520106 /nfs/dbraw/zinc/52/01/06/573520106.db2.gz LQNKEMUBCOXKOS-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM C[C@H](CCNCc1ccco1)C(=O)[O-] 258733862 573521202 /nfs/dbraw/zinc/52/12/02/573521202.db2.gz VLIABAWQDCHVCM-MRVPVSSYSA-N -1 3 197.234 1.480 10 0 ADAEHM CC(=O)c1ncc2c([O-])cccn12 257823421 573525976 /nfs/dbraw/zinc/52/59/76/573525976.db2.gz GNDWRJFNYYBQJF-UHFFFAOYSA-N -1 3 176.175 1.243 10 0 ADAEHM COCc1ccc(C=O)c([O-])c1 107329371 573525282 /nfs/dbraw/zinc/52/52/82/573525282.db2.gz XBOFRBUDVGJEMX-UHFFFAOYSA-N -1 3 166.176 1.351 10 0 ADAEHM CCSCc1nccc(=O)[n-]1 83484461 573526284 /nfs/dbraw/zinc/52/62/84/573526284.db2.gz GLFBTLLUFHTDPY-UHFFFAOYSA-N -1 3 170.237 1.023 10 0 ADAEHM C[C@@H](N)c1ccc([O-])c(Cl)n1 238429199 573531052 /nfs/dbraw/zinc/53/10/52/573531052.db2.gz DLKDMGIWMCCXDO-SCSAIBSYSA-N -1 3 172.615 1.460 10 0 ADAEHM C[C@H](N)c1ccc(F)c([O-])c1F 238426382 573528285 /nfs/dbraw/zinc/52/82/85/573528285.db2.gz RUAFRQQCLZAXEZ-BYPYZUCNSA-N -1 3 173.162 1.690 10 0 ADAEHM [O-]c1ccccc1C(F)(F)[C@H]1CCN1 257827779 573529174 /nfs/dbraw/zinc/52/91/74/573529174.db2.gz GFUTYIIZHCZQOG-SECBINFHSA-N -1 3 199.200 1.846 10 0 ADAEHM COc1cc(F)cc([O-])c1CCO 258059349 573529305 /nfs/dbraw/zinc/52/93/05/573529305.db2.gz LISJWSLPHRJKJA-UHFFFAOYSA-N -1 3 186.182 1.075 10 0 ADAEHM [O-]c1ccccc1C(F)(F)[C@@H]1CCN1 257827781 573529404 /nfs/dbraw/zinc/52/94/04/573529404.db2.gz GFUTYIIZHCZQOG-VIFPVBQESA-N -1 3 199.200 1.846 10 0 ADAEHM Cc1ccc([C@H](N)[C@H](C)CC(=O)[O-])o1 259493087 573529620 /nfs/dbraw/zinc/52/96/20/573529620.db2.gz TVXWELRVNZWVFX-LHLIQPBNSA-N -1 3 197.234 1.699 10 0 ADAEHM CCSCc1nc(C)c(C)c(=O)[n-]1 83484462 573529731 /nfs/dbraw/zinc/52/97/31/573529731.db2.gz YMSPPCMFZGDGQG-UHFFFAOYSA-N -1 3 198.291 1.640 10 0 ADAEHM C[C@@H](O)c1cc([O-])c(F)cc1F 258052419 573529973 /nfs/dbraw/zinc/52/99/73/573529973.db2.gz RPQQLRNSQKPFRB-SCSAIBSYSA-N -1 3 174.146 1.724 10 0 ADAEHM Nc1[nH][n-]c(=O)c1-c1ccc(O)cc1 257828063 573530994 /nfs/dbraw/zinc/53/09/94/573530994.db2.gz IFSVSDVZIWPQMT-UHFFFAOYSA-N -1 3 191.190 1.070 10 0 ADAEHM CNCc1oc(C(=O)[O-])cc1C 107331531 573531244 /nfs/dbraw/zinc/53/12/44/573531244.db2.gz QPAUILYTNWMJED-UHFFFAOYSA-N -1 3 169.180 1.006 10 0 ADAEHM Cc1ccc([C@@H](N)[C@@H](C)CC(=O)[O-])o1 259493091 573531269 /nfs/dbraw/zinc/53/12/69/573531269.db2.gz TVXWELRVNZWVFX-WKEGUHRASA-N -1 3 197.234 1.699 10 0 ADAEHM Cc1cccc([C@@H](F)[C@H](N)C(=O)[O-])c1 257828980 573531728 /nfs/dbraw/zinc/53/17/28/573531728.db2.gz IPEMTNKFDDDGTD-BDAKNGLRSA-N -1 3 197.209 1.418 10 0 ADAEHM Cc1ccc(CCO)c([O-])c1F 258052423 573531810 /nfs/dbraw/zinc/53/18/10/573531810.db2.gz RPTILCBMQQFDQJ-UHFFFAOYSA-N -1 3 170.183 1.375 10 0 ADAEHM Cc1cccc([C@H](F)[C@@H](N)C(=O)[O-])c1 257828981 573531873 /nfs/dbraw/zinc/53/18/73/573531873.db2.gz IPEMTNKFDDDGTD-DTWKUNHWSA-N -1 3 197.209 1.418 10 0 ADAEHM Cc1ccc([C@H](N)[C@@H](C)CC(=O)[O-])o1 259493090 573532915 /nfs/dbraw/zinc/53/29/15/573532915.db2.gz TVXWELRVNZWVFX-QUBYGPBYSA-N -1 3 197.234 1.699 10 0 ADAEHM C[C@H]1C=Cc2cc(C=O)c([O-])cc2O1 238431172 573535266 /nfs/dbraw/zinc/53/52/66/573535266.db2.gz CGAFIABPFOCAES-ZETCQYMHSA-N -1 3 190.198 1.999 10 0 ADAEHM Cc1cccc([C@H](F)[C@H](N)C(=O)[O-])c1 257828982 573533470 /nfs/dbraw/zinc/53/34/70/573533470.db2.gz IPEMTNKFDDDGTD-IUCAKERBSA-N -1 3 197.209 1.418 10 0 ADAEHM C[C@@H](CC1=CCCN(C)C1)C(=O)[O-] 258054808 573534269 /nfs/dbraw/zinc/53/42/69/573534269.db2.gz LKXPRSFMGILCLZ-QMMMGPOBSA-N -1 3 183.251 1.359 10 0 ADAEHM CC(C)N1CC([C@@H](F)CC(=O)[O-])C1 257828423 573534437 /nfs/dbraw/zinc/53/44/37/573534437.db2.gz IHBWXTVVMRZDFF-QMMMGPOBSA-N -1 3 189.230 1.139 10 0 ADAEHM CC(C)(C)SCc1nccc(=O)[n-]1 83490068 573534866 /nfs/dbraw/zinc/53/48/66/573534866.db2.gz HABBCTDSNTYELK-UHFFFAOYSA-N -1 3 198.291 1.802 10 0 ADAEHM CC(C)N1CC([C@H](F)CC(=O)[O-])C1 257828422 573535064 /nfs/dbraw/zinc/53/50/64/573535064.db2.gz IHBWXTVVMRZDFF-MRVPVSSYSA-N -1 3 189.230 1.139 10 0 ADAEHM CC(C)SCc1nccc(=O)[n-]1 83488398 573536085 /nfs/dbraw/zinc/53/60/85/573536085.db2.gz FLPRPUGIMVMJHA-UHFFFAOYSA-N -1 3 184.264 1.412 10 0 ADAEHM NCc1cc(C(=O)[O-])cc(F)c1F 257828174 573535861 /nfs/dbraw/zinc/53/58/61/573535861.db2.gz IGBMXUILGJDJSF-UHFFFAOYSA-N -1 3 187.145 1.122 10 0 ADAEHM CN(C)C[C@@H](C(=O)[O-])c1ccco1 258056770 573538518 /nfs/dbraw/zinc/53/85/18/573538518.db2.gz HXGKTFIDYGCWHC-SSDOTTSWSA-N -1 3 183.207 1.009 10 0 ADAEHM Nc1c[n-]n(-c2cccc(F)c2)c1=O 107356103 573538918 /nfs/dbraw/zinc/53/89/18/573538918.db2.gz NBPJQIZDVUCHFW-UHFFFAOYSA-N -1 3 193.181 1.299 10 0 ADAEHM NCc1c[n-]n(-c2ccccc2)c1=O 107349786 573539608 /nfs/dbraw/zinc/53/96/08/573539608.db2.gz PQPLAQLHNASDAM-UHFFFAOYSA-N -1 3 189.218 1.037 10 0 ADAEHM Cc1ccc2c([nH]c(=O)n2[O-])c1C 95573608 573539856 /nfs/dbraw/zinc/53/98/56/573539856.db2.gz CWDIWBOCJFCBIJ-UHFFFAOYSA-N -1 3 178.191 1.184 10 0 ADAEHM C[C@H]1C(=O)C=C([O-])C(C)(C)[C@@H]1C 238435355 573540302 /nfs/dbraw/zinc/54/03/02/573540302.db2.gz WVRCLHRBZRYLLO-RNFRBKRXSA-N -1 3 168.236 1.827 10 0 ADAEHM C[C@H]1C([O-])=CC(=O)C(C)(C)[C@@H]1C 238435355 573540307 /nfs/dbraw/zinc/54/03/07/573540307.db2.gz WVRCLHRBZRYLLO-RNFRBKRXSA-N -1 3 168.236 1.827 10 0 ADAEHM CSc1nc(=O)[n-]c2sccc12 238435082 573540398 /nfs/dbraw/zinc/54/03/98/573540398.db2.gz VCOPXOZQPPSIBG-UHFFFAOYSA-N -1 3 198.272 1.707 10 0 ADAEHM CN(C)C[C@H](C(=O)[O-])c1ccco1 258056772 573540674 /nfs/dbraw/zinc/54/06/74/573540674.db2.gz HXGKTFIDYGCWHC-ZETCQYMHSA-N -1 3 183.207 1.009 10 0 ADAEHM COc1c([O-])ccc2c1CCOC2=O 238435457 573540740 /nfs/dbraw/zinc/54/07/40/573540740.db2.gz FPOFQJUBBGNZBM-UHFFFAOYSA-N -1 3 194.186 1.114 10 0 ADAEHM CCC(=O)[N-]OCCCc1ccco1 75358618 573540912 /nfs/dbraw/zinc/54/09/12/573540912.db2.gz PNZBUYNJQCXCLG-UHFFFAOYSA-N -1 3 197.234 1.670 10 0 ADAEHM COC([O-])=NOCCCc1ccco1 75358625 573541283 /nfs/dbraw/zinc/54/12/83/573541283.db2.gz ZJASTNFRYYSJOW-UHFFFAOYSA-N -1 3 199.206 1.500 10 0 ADAEHM COC(=O)[N-]OCCCc1ccco1 75358625 573541284 /nfs/dbraw/zinc/54/12/84/573541284.db2.gz ZJASTNFRYYSJOW-UHFFFAOYSA-N -1 3 199.206 1.500 10 0 ADAEHM Nc1c[n-]n(-c2ccccc2F)c1=O 107356105 573541291 /nfs/dbraw/zinc/54/12/91/573541291.db2.gz TWNXSQKTRZBKGP-UHFFFAOYSA-N -1 3 193.181 1.299 10 0 ADAEHM COc1c([O-])cc(O)c2c1CCC2=O 238434773 573541337 /nfs/dbraw/zinc/54/13/37/573541337.db2.gz VQSGDEPVWWICLJ-UHFFFAOYSA-N -1 3 194.186 1.235 10 0 ADAEHM CC(=O)Cc1c([O-])ccc(F)c1F 107347704 573541832 /nfs/dbraw/zinc/54/18/32/573541832.db2.gz SPHNVFXAKPXTTK-UHFFFAOYSA-N -1 3 186.157 1.802 10 0 ADAEHM COc1c([O-])cc([C@H](C)O)cc1F 258056324 573542824 /nfs/dbraw/zinc/54/28/24/573542824.db2.gz LBMIBTJDAWMAMM-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM Nc1c[n-]n(-c2ccc(F)cc2)c1=O 107356100 573543287 /nfs/dbraw/zinc/54/32/87/573543287.db2.gz FTZSQXLAEXOEGM-UHFFFAOYSA-N -1 3 193.181 1.299 10 0 ADAEHM CC(=O)Cc1cc(F)c(F)cc1[O-] 107347707 573542948 /nfs/dbraw/zinc/54/29/48/573542948.db2.gz TYOGDEGJSUBLKS-UHFFFAOYSA-N -1 3 186.157 1.802 10 0 ADAEHM COc1c([O-])ccc2c1COC2=O 238435474 573543214 /nfs/dbraw/zinc/54/32/14/573543214.db2.gz IKAWBEYHZVJQIH-UHFFFAOYSA-N -1 3 180.159 1.071 10 0 ADAEHM COc1c(C)cc(C=O)c(F)c1[O-] 257824429 573543332 /nfs/dbraw/zinc/54/33/32/573543332.db2.gz GTVDVCPLBXZPAR-UHFFFAOYSA-N -1 3 184.166 1.661 10 0 ADAEHM COc1c(O)cc([O-])c(F)c1F 238434716 573543520 /nfs/dbraw/zinc/54/35/20/573543520.db2.gz WWUITGMXGZQLEC-UHFFFAOYSA-N -1 3 176.118 1.385 10 0 ADAEHM CC(C)N1Cc2cc([O-])ccc2C1=O 198273450 573545461 /nfs/dbraw/zinc/54/54/61/573545461.db2.gz YRNRMYFHXRSFKD-UHFFFAOYSA-N -1 3 191.230 1.756 10 0 ADAEHM C[C@H](c1c[nH]c(C(=O)[O-])c1)N(C)C 257825560 573549086 /nfs/dbraw/zinc/54/90/86/573549086.db2.gz HDHNHLYNJGNECD-ZCFIWIBFSA-N -1 3 182.223 1.336 10 0 ADAEHM O=C([O-])c1cnc([C@H]2CCCCN2)o1 107363804 573547320 /nfs/dbraw/zinc/54/73/20/573547320.db2.gz KCWPINADTCNIBO-ZCFIWIBFSA-N -1 3 196.206 1.187 10 0 ADAEHM [O-]C(=CC1=NCCO1)c1cccnc1 259119690 573547585 /nfs/dbraw/zinc/54/75/85/573547585.db2.gz IOEVYPNYAPAHQH-UHFFFAOYSA-N -1 3 190.202 1.083 10 0 ADAEHM COc1c(O)ccc2c([O-])coc12 238435665 573547872 /nfs/dbraw/zinc/54/78/72/573547872.db2.gz RWBXRVWMNTXXPZ-UHFFFAOYSA-N -1 3 180.159 1.853 10 0 ADAEHM COc1c([O-])ccc2oc(=O)sc12 238435906 573548209 /nfs/dbraw/zinc/54/82/09/573548209.db2.gz XGESEHAVOOFSBP-UHFFFAOYSA-N -1 3 198.199 1.569 10 0 ADAEHM Cc1cc(C=O)c([O-])c(C)n1 197380369 573548646 /nfs/dbraw/zinc/54/86/46/573548646.db2.gz FNVFZWCJRFZKJH-UHFFFAOYSA-N -1 3 151.165 1.217 10 0 ADAEHM COc1c([O-])cnc(C(F)F)c1F 238438093 573550899 /nfs/dbraw/zinc/55/08/99/573550899.db2.gz OAXBXVKBRNXJNA-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM CNC(=O)c1cc(C(C)C)ccc1[O-] 95712086 573552372 /nfs/dbraw/zinc/55/23/72/573552372.db2.gz SAVYTIXRGIINIJ-UHFFFAOYSA-N -1 3 193.246 1.875 10 0 ADAEHM CCCCCc1c(N)nc(C)[n-]c1=O 33639361 573552384 /nfs/dbraw/zinc/55/23/84/573552384.db2.gz KEFKNRXOLRNLKI-UHFFFAOYSA-N -1 3 195.266 1.393 10 0 ADAEHM CNC(=O)c1cc(C)cc([O-])c1 95712088 573553020 /nfs/dbraw/zinc/55/30/20/573553020.db2.gz FAHIYJJZKMHDPQ-UHFFFAOYSA-N -1 3 165.192 1.060 10 0 ADAEHM COc1c(O)cnc(C(F)F)c1[O-] 238438181 573553055 /nfs/dbraw/zinc/55/30/55/573553055.db2.gz ISLRPKYRAQIMGV-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM Cc1nc(C2CCC2)c(CN)c(=O)[n-]1 257830149 573553315 /nfs/dbraw/zinc/55/33/15/573553315.db2.gz IXNUUHIHHXTLOG-UHFFFAOYSA-N -1 3 193.250 1.217 10 0 ADAEHM CC(=O)c1nn[n-]c1-c1ccccn1 75395354 573554417 /nfs/dbraw/zinc/55/44/17/573554417.db2.gz LFQMKSVWTZQQQL-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1[n-]nnc1-c1ccccn1 75395354 573554424 /nfs/dbraw/zinc/55/44/24/573554424.db2.gz LFQMKSVWTZQQQL-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1ccccn1 75395354 573554425 /nfs/dbraw/zinc/55/44/25/573554425.db2.gz LFQMKSVWTZQQQL-UHFFFAOYSA-N -1 3 188.190 1.069 10 0 ADAEHM COc1c([O-])cnc(F)c1C(F)F 238438522 573554506 /nfs/dbraw/zinc/55/45/06/573554506.db2.gz PEZJMRNDVCHDMC-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM CN1CC=C([C@@](C)(F)C(=O)[O-])CC1 257831052 573557710 /nfs/dbraw/zinc/55/77/10/573557710.db2.gz JKJWAAYDEGCWCC-SECBINFHSA-N -1 3 187.214 1.061 10 0 ADAEHM CN(C)c1cc(C=O)ccc1[O-] 95723028 573557415 /nfs/dbraw/zinc/55/74/15/573557415.db2.gz OENCWQXOHYCTIO-UHFFFAOYSA-N -1 3 165.192 1.271 10 0 ADAEHM CNCC(F)(F)c1ccccc1[O-] 257830985 573558068 /nfs/dbraw/zinc/55/80/68/573558068.db2.gz JUYHXCGYODZBFB-UHFFFAOYSA-N -1 3 187.189 1.703 10 0 ADAEHM CN[C@H](C)c1onc2c([O-])cccc12 257830711 573558268 /nfs/dbraw/zinc/55/82/68/573558268.db2.gz JDERDZAZNMXNCR-ZCFIWIBFSA-N -1 3 192.218 1.814 10 0 ADAEHM CN1CC=C([C@](C)(F)C(=O)[O-])CC1 257831053 573558962 /nfs/dbraw/zinc/55/89/62/573558962.db2.gz JKJWAAYDEGCWCC-VIFPVBQESA-N -1 3 187.214 1.061 10 0 ADAEHM COc1cc([O-])c(F)c(C2(O)CC2)c1 258061941 573562467 /nfs/dbraw/zinc/56/24/67/573562467.db2.gz LOLRGWYKEYYRLN-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM Cc1nnc([N-]c2cnn(C)c2)s1 83583869 573562515 /nfs/dbraw/zinc/56/25/15/573562515.db2.gz UADVAPDSMRZUKY-UHFFFAOYSA-N -1 3 195.251 1.324 10 0 ADAEHM Cc1ccc(F)c([O-])c1[C@@H](C)CO 258061783 573562715 /nfs/dbraw/zinc/56/27/15/573562715.db2.gz LJOWZESLPVVRLF-ZETCQYMHSA-N -1 3 184.210 1.936 10 0 ADAEHM Cc1ccc(F)c([O-])c1[C@H](C)CO 258061781 573562758 /nfs/dbraw/zinc/56/27/58/573562758.db2.gz LJOWZESLPVVRLF-SSDOTTSWSA-N -1 3 184.210 1.936 10 0 ADAEHM O=Cc1conc1-c1ccc([O-])cc1 75420897 573563055 /nfs/dbraw/zinc/56/30/55/573563055.db2.gz CEMHBJZFFFNZDC-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM Nc1oncc1-c1cc([O-])ccc1F 258061919 573564316 /nfs/dbraw/zinc/56/43/16/573564316.db2.gz LNSVSSLKFREPLQ-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM NC1(C(=O)c2cccc([O-])c2)CC1 257831155 573564702 /nfs/dbraw/zinc/56/47/02/573564702.db2.gz JNUHOTSNNNYUMQ-UHFFFAOYSA-N -1 3 177.203 1.066 10 0 ADAEHM Nc1nc(C(=O)[O-])c(C2CCCC2)[nH]1 257831545 573566104 /nfs/dbraw/zinc/56/61/04/573566104.db2.gz JLFCPEGVZRGWJU-UHFFFAOYSA-N -1 3 195.222 1.348 10 0 ADAEHM O=C1C=C([O-])C(Cc2ccccc2)O1 145208585 573566392 /nfs/dbraw/zinc/56/63/92/573566392.db2.gz PUCAAABYFQOKLT-SNVBAGLBSA-N -1 3 190.198 1.596 10 0 ADAEHM COc1c(C(F)F)[n-]cc(O)c1=O 238432653 573566471 /nfs/dbraw/zinc/56/64/71/573566471.db2.gz APTMROVHPQJADL-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM O=C1C=C([O-])C(Cc2ccccc2)O1 145208804 573566864 /nfs/dbraw/zinc/56/68/64/573566864.db2.gz PUCAAABYFQOKLT-JTQLQIEISA-N -1 3 190.198 1.596 10 0 ADAEHM COc1c(CC(C)=O)ccc(F)c1[O-] 258064771 573571520 /nfs/dbraw/zinc/57/15/20/573571520.db2.gz LQVCEMHUGWMHRV-UHFFFAOYSA-N -1 3 198.193 1.671 10 0 ADAEHM CC1(C)CN([C@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687083 573571622 /nfs/dbraw/zinc/57/16/22/573571622.db2.gz UNNIQFSVNPJGPJ-BDAKNGLRSA-N -1 3 195.262 1.358 10 0 ADAEHM CC1(C)CN([C@@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687084 573571852 /nfs/dbraw/zinc/57/18/52/573571852.db2.gz UNNIQFSVNPJGPJ-RKDXNWHRSA-N -1 3 195.262 1.358 10 0 ADAEHM O=C([O-])[C@H]1C=C[C@@H](N2CC3(CC3)C2)C1 86687219 573572047 /nfs/dbraw/zinc/57/20/47/573572047.db2.gz LTHYYDWBZATUHC-DTWKUNHWSA-N -1 3 193.246 1.112 10 0 ADAEHM CC1(C)CN(CCCCC(=O)[O-])C1 86685158 573572275 /nfs/dbraw/zinc/57/22/75/573572275.db2.gz WIHJBHPUJQSVEK-UHFFFAOYSA-N -1 3 185.267 1.583 10 0 ADAEHM CC1(C)CN([C@H]2C=C[C@H](C(=O)[O-])C2)C1 86687086 573572842 /nfs/dbraw/zinc/57/28/42/573572842.db2.gz UNNIQFSVNPJGPJ-IUCAKERBSA-N -1 3 195.262 1.358 10 0 ADAEHM Cc1ccc(CCO)c(Cl)c1[O-] 258065059 573574735 /nfs/dbraw/zinc/57/47/35/573574735.db2.gz LVLJFSUNGAQSRY-UHFFFAOYSA-N -1 3 186.638 1.889 10 0 ADAEHM CCC1CN([C@@H]2C=C[C@H](C(=O)[O-])C2)C1 86687156 573573967 /nfs/dbraw/zinc/57/39/67/573573967.db2.gz KPMCBXHVOVJYJB-VHSXEESVSA-N -1 3 195.262 1.358 10 0 ADAEHM CCC1CN([C@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687150 573574174 /nfs/dbraw/zinc/57/41/74/573574174.db2.gz KPMCBXHVOVJYJB-ZJUUUORDSA-N -1 3 195.262 1.358 10 0 ADAEHM CCC1CN([C@@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687152 573574407 /nfs/dbraw/zinc/57/44/07/573574407.db2.gz KPMCBXHVOVJYJB-NXEZZACHSA-N -1 3 195.262 1.358 10 0 ADAEHM CC(C)(C)[C@](N)(C(=O)[O-])C(C)(C)F 257832454 573574569 /nfs/dbraw/zinc/57/45/69/573574569.db2.gz JUEOHDYVEBPOKF-SECBINFHSA-N -1 3 191.246 1.563 10 0 ADAEHM O=C([O-])[C@@H]1C=C[C@@H](N2CC3(CC3)C2)C1 86687215 573574646 /nfs/dbraw/zinc/57/46/46/573574646.db2.gz LTHYYDWBZATUHC-RKDXNWHRSA-N -1 3 193.246 1.112 10 0 ADAEHM CCC1CN([C@H]2C=C[C@H](C(=O)[O-])C2)C1 86687154 573574824 /nfs/dbraw/zinc/57/48/24/573574824.db2.gz KPMCBXHVOVJYJB-UWVGGRQHSA-N -1 3 195.262 1.358 10 0 ADAEHM CO[N-]C(=O)/C=C\c1ccc(C)s1 214521819 573575806 /nfs/dbraw/zinc/57/58/06/573575806.db2.gz ZMSXQIUZOJHJLW-WAYWQWQTSA-N -1 3 197.259 1.747 10 0 ADAEHM CCCCCC(=O)[N-]OCCCF 308401769 573578280 /nfs/dbraw/zinc/57/82/80/573578280.db2.gz HKPIOEIIJOAPCI-UHFFFAOYSA-N -1 3 191.246 1.974 10 0 ADAEHM CC[C@@](C)(F)c1nc[n-]c(=O)c1C 144409561 573579414 /nfs/dbraw/zinc/57/94/14/573579414.db2.gz XAZCQJKTCNEVBB-SECBINFHSA-N -1 3 184.214 1.673 10 0 ADAEHM Cc1nc2cc([O-])cnc2s1 95931453 573579541 /nfs/dbraw/zinc/57/95/41/573579541.db2.gz IRHCLNCLWHDIQQ-UHFFFAOYSA-N -1 3 166.205 1.705 10 0 ADAEHM Cc1cc([S@@](C)=O)ccc1[O-] 144346946 573579762 /nfs/dbraw/zinc/57/97/62/573579762.db2.gz TYCDPSPDTPBLRQ-NSHDSACASA-N -1 3 170.233 1.438 10 0 ADAEHM CC(C)CC1=C(C(=O)[O-])CN(C)CC1 257833011 573579915 /nfs/dbraw/zinc/57/99/15/573579915.db2.gz JWRZANQUSTZBQT-UHFFFAOYSA-N -1 3 197.278 1.749 10 0 ADAEHM C[C@@H]1C(=O)C=C([O-])C(C)(C)[C@@H]1C 238441139 573580718 /nfs/dbraw/zinc/58/07/18/573580718.db2.gz WVRCLHRBZRYLLO-NKWVEPMBSA-N -1 3 168.236 1.827 10 0 ADAEHM C[C@@H]1C([O-])=CC(=O)C(C)(C)[C@@H]1C 238441139 573580722 /nfs/dbraw/zinc/58/07/22/573580722.db2.gz WVRCLHRBZRYLLO-NKWVEPMBSA-N -1 3 168.236 1.827 10 0 ADAEHM COc1oc(=O)[n-]c1-c1ccccn1 238440597 573580859 /nfs/dbraw/zinc/58/08/59/573580859.db2.gz NAKVHVHTGUUJHU-UHFFFAOYSA-N -1 3 192.174 1.039 10 0 ADAEHM CCC[C@@H](F)c1cc(=O)[n-]cn1 144398267 573581004 /nfs/dbraw/zinc/58/10/04/573581004.db2.gz IFYSSACPLJDNOT-ZCFIWIBFSA-N -1 3 170.187 1.581 10 0 ADAEHM CC[C@](C)(F)c1nc[n-]c(=O)c1C 144409770 573581115 /nfs/dbraw/zinc/58/11/15/573581115.db2.gz XAZCQJKTCNEVBB-VIFPVBQESA-N -1 3 184.214 1.673 10 0 ADAEHM COc1ccc2c([O-])c(C)oc2c1 107409407 573581887 /nfs/dbraw/zinc/58/18/87/573581887.db2.gz JLUMBZHKKNHJDG-LURJTMIESA-N -1 3 178.187 1.659 10 0 ADAEHM CO[C@@]1(C)CCCN(/C=C\C(=O)[O-])C1 308402785 573584546 /nfs/dbraw/zinc/58/45/46/573584546.db2.gz BBTLXKCTBYSUKE-VAWSOJLPSA-N -1 3 199.250 1.086 10 0 ADAEHM C/C(C(=O)[O-])=C1/CCN(C2CC2)C1 86716848 573583164 /nfs/dbraw/zinc/58/31/64/573583164.db2.gz ZYSAOQIPMSUHAJ-BQYQJAHWSA-N -1 3 181.235 1.256 10 0 ADAEHM CCCN1CCC(=C(C)C(=O)[O-])CC1 86716662 573583206 /nfs/dbraw/zinc/58/32/06/573583206.db2.gz VIPXWLVRQHXPMP-UHFFFAOYSA-N -1 3 197.278 1.893 10 0 ADAEHM O=C([O-])/C(F)=C1/CCN(C2CC2)C1 86717238 573584779 /nfs/dbraw/zinc/58/47/79/573584779.db2.gz RHAMJXMIUUOXMG-SOFGYWHQSA-N -1 3 185.198 1.163 10 0 ADAEHM Cc1ccc([C@@H](C)O)c([O-])c1F 258066714 573584782 /nfs/dbraw/zinc/58/47/82/573584782.db2.gz TVNNTSFSPTZKSH-ZCFIWIBFSA-N -1 3 170.183 1.893 10 0 ADAEHM CC(C(=O)[O-])=C1CCN(C(C)C)CC1 86716777 573585150 /nfs/dbraw/zinc/58/51/50/573585150.db2.gz MRAADSFIOXLJOJ-UHFFFAOYSA-N -1 3 197.278 1.892 10 0 ADAEHM CCN1CCC(=C(C)C(=O)[O-])CC1 86716865 573586612 /nfs/dbraw/zinc/58/66/12/573586612.db2.gz ASGJABKQFVDAKM-UHFFFAOYSA-N -1 3 183.251 1.503 10 0 ADAEHM COc1cc(=O)[nH]c2c([O-])cccc12 238443700 573588690 /nfs/dbraw/zinc/58/86/90/573588690.db2.gz DYUIRWMEYJJRBA-UHFFFAOYSA-N -1 3 191.186 1.242 10 0 ADAEHM CC(C)N1C(=O)Cc2c([O-])cccc21 258063982 573589697 /nfs/dbraw/zinc/58/96/97/573589697.db2.gz LYVGODKOXIDXHK-UHFFFAOYSA-N -1 3 191.230 1.690 10 0 ADAEHM O=Cc1oncc1-c1ccc([O-])cc1 257835551 573594794 /nfs/dbraw/zinc/59/47/94/573594794.db2.gz LRXMIGPSKRRVMP-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM C[C@@H]1Cc2ccccc2[C@@]1(N)C(=O)[O-] 107421344 573595559 /nfs/dbraw/zinc/59/55/59/573595559.db2.gz TVZRQWWNRBMWIN-RDDDGLTNSA-N -1 3 191.230 1.117 10 0 ADAEHM Cc1c(CN)ncc([O-])c1C(F)F 238455409 573595675 /nfs/dbraw/zinc/59/56/75/573595675.db2.gz XYRUKFBWTLRNDJ-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM C[C@@H]1Cc2ccccc2[C@]1(N)C(=O)[O-] 107421338 573596034 /nfs/dbraw/zinc/59/60/34/573596034.db2.gz TVZRQWWNRBMWIN-HQJQHLMTSA-N -1 3 191.230 1.117 10 0 ADAEHM C[C@@H](c1cccc([O-])c1C=O)N(C)C 238455735 573596241 /nfs/dbraw/zinc/59/62/41/573596241.db2.gz JPDFUPZERNSQEV-QMMMGPOBSA-N -1 3 193.246 1.827 10 0 ADAEHM C[C@H]1Cc2ccccc2[C@@]1(N)C(=O)[O-] 107421347 573596432 /nfs/dbraw/zinc/59/64/32/573596432.db2.gz TVZRQWWNRBMWIN-WRWORJQWSA-N -1 3 191.230 1.117 10 0 ADAEHM C[C@H]1[C@@H](C)C(=O)C=C([O-])C1(C)C 238455497 573596791 /nfs/dbraw/zinc/59/67/91/573596791.db2.gz WVRCLHRBZRYLLO-RQJHMYQMSA-N -1 3 168.236 1.827 10 0 ADAEHM C[C@H]1[C@@H](C)C([O-])=CC(=O)C1(C)C 238455497 573596796 /nfs/dbraw/zinc/59/67/96/573596796.db2.gz WVRCLHRBZRYLLO-RQJHMYQMSA-N -1 3 168.236 1.827 10 0 ADAEHM O=C([O-])c1scnc1[C@@H]1CCCN1 257836121 573598803 /nfs/dbraw/zinc/59/88/03/573598803.db2.gz ALYJTZUJAGIOJD-YFKPBYRVSA-N -1 3 198.247 1.266 10 0 ADAEHM N[C@@H]1CCn2c1nc1c([O-])cccc12 259523423 573598847 /nfs/dbraw/zinc/59/88/47/573598847.db2.gz ALUIVFLPKRYHRI-ZCFIWIBFSA-N -1 3 189.218 1.145 10 0 ADAEHM CC(=O)C=C([O-])C(F)(F)C(F)F 135849820 573602846 /nfs/dbraw/zinc/60/28/46/573602846.db2.gz CNUKMYIQXLCAAY-UHFFFAOYSA-N -1 3 186.104 1.435 10 0 ADAEHM C[C@@H](c1coc(C(=O)[O-])c1)N(C)C 257836295 573602889 /nfs/dbraw/zinc/60/28/89/573602889.db2.gz LBMUMMDGIWMJQK-LURJTMIESA-N -1 3 183.207 1.600 10 0 ADAEHM C[C@H]1Cc2sccc2[C@]1(N)C(=O)[O-] 107433259 573603580 /nfs/dbraw/zinc/60/35/80/573603580.db2.gz WNJWTUWDODUZPI-CDUCUWFYSA-N -1 3 197.259 1.179 10 0 ADAEHM COC(=O)c1cnc([C@H]2CCCO2)[n-]1 83714752 573603680 /nfs/dbraw/zinc/60/36/80/573603680.db2.gz WJNICEBUOSZXCA-SSDOTTSWSA-N -1 3 196.206 1.048 10 0 ADAEHM COC(=O)c1c[n-]c([C@H]2CCCO2)n1 83714752 573603689 /nfs/dbraw/zinc/60/36/89/573603689.db2.gz WJNICEBUOSZXCA-SSDOTTSWSA-N -1 3 196.206 1.048 10 0 ADAEHM Cc1nc(C)c([O-])c(C=O)c1C 224398583 573603891 /nfs/dbraw/zinc/60/38/91/573603891.db2.gz XKRHXESFIPCEBA-UHFFFAOYSA-N -1 3 165.192 1.525 10 0 ADAEHM CCSc1ncc([O-])cn1 75542662 573606203 /nfs/dbraw/zinc/60/62/03/573606203.db2.gz PSKTVUXBXHTWIS-UHFFFAOYSA-N -1 3 156.210 1.294 10 0 ADAEHM C[C@H](c1coc(C(=O)[O-])c1)N(C)C 257836298 573604721 /nfs/dbraw/zinc/60/47/21/573604721.db2.gz LBMUMMDGIWMJQK-ZCFIWIBFSA-N -1 3 183.207 1.600 10 0 ADAEHM C[C@H]1C=C[C@@H](C)[C@@H]2C(=O)C=C([O-])[C@H]12 238446539 573605546 /nfs/dbraw/zinc/60/55/46/573605546.db2.gz UBEXOKZKPJGPRB-BJPCUFFRSA-N -1 3 178.231 1.603 10 0 ADAEHM CCn1ccnc1NCCCC(=O)[O-] 50607594 573607789 /nfs/dbraw/zinc/60/77/89/573607789.db2.gz NGJKJBHJGFHDTK-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM [O-]c1ccccc1-c1cnon1 75545217 573608359 /nfs/dbraw/zinc/60/83/59/573608359.db2.gz FZSYQWQMOLNSDQ-UHFFFAOYSA-N -1 3 162.148 1.442 10 0 ADAEHM O=Cc1cc2c(cc1[O-])OCC2 75545951 573608834 /nfs/dbraw/zinc/60/88/34/573608834.db2.gz DHAJERZJOZOCKZ-UHFFFAOYSA-N -1 3 164.160 1.140 10 0 ADAEHM CC[C@@H](Nc1nccn1CC)C(=O)[O-] 50607626 573609383 /nfs/dbraw/zinc/60/93/83/573609383.db2.gz SHWRTGOQSBCFST-SSDOTTSWSA-N -1 3 197.238 1.178 10 0 ADAEHM O=c1[n-]ccnc1OCC1CCCC1 236416829 573609401 /nfs/dbraw/zinc/60/94/01/573609401.db2.gz BQWPRTYLOGIMPT-UHFFFAOYSA-N -1 3 194.234 1.339 10 0 ADAEHM Cc1cn(C)c(=O)c2ccc([O-])cc12 258069274 573609435 /nfs/dbraw/zinc/60/94/35/573609435.db2.gz HOXYAKFWVDPTMC-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM COc1cc(C2(O)CC2)cc(F)c1[O-] 258067395 573609451 /nfs/dbraw/zinc/60/94/51/573609451.db2.gz LXLDJBPRBLWPTN-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM C[C@H]1COC(c2ccc([O-])cc2)=N1 238447482 573609756 /nfs/dbraw/zinc/60/97/56/573609756.db2.gz YQXFOLGFFXSGMQ-ZETCQYMHSA-N -1 3 177.203 1.558 10 0 ADAEHM C[C@@H]1COC(=O)N1c1ccccc1[O-] 257837401 573610701 /nfs/dbraw/zinc/61/07/01/573610701.db2.gz LCPSBCUVHPKHBH-SSDOTTSWSA-N -1 3 193.202 1.737 10 0 ADAEHM C[C@H]1COC(=O)N1c1ccccc1[O-] 257837402 573610771 /nfs/dbraw/zinc/61/07/71/573610771.db2.gz LCPSBCUVHPKHBH-ZETCQYMHSA-N -1 3 193.202 1.737 10 0 ADAEHM O=Cc1ncc2cccc([O-])c2n1 142742775 573611021 /nfs/dbraw/zinc/61/10/21/573611021.db2.gz PDLYVGWHZULZAE-UHFFFAOYSA-N -1 3 174.159 1.148 10 0 ADAEHM Cc1cc(N)cc2c([O-])coc12 238449021 573612154 /nfs/dbraw/zinc/61/21/54/573612154.db2.gz JGSUOAOGYXHEPC-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)CCCOC 308407260 573612254 /nfs/dbraw/zinc/61/22/54/573612254.db2.gz KBDXMRHEFCBAPV-MRVPVSSYSA-N -1 3 189.255 1.259 10 0 ADAEHM C[C@@]1(c2nnc(C=O)[n-]2)CCCCO1 257837489 573613850 /nfs/dbraw/zinc/61/38/50/573613850.db2.gz ARULEKYPRMMDOS-VIFPVBQESA-N -1 3 195.222 1.033 10 0 ADAEHM C[C@@]1(c2n[n-]c(C=O)n2)CCCCO1 257837489 573613854 /nfs/dbraw/zinc/61/38/54/573613854.db2.gz ARULEKYPRMMDOS-VIFPVBQESA-N -1 3 195.222 1.033 10 0 ADAEHM C[C@@]1(c2nc(C=O)n[n-]2)CCCCO1 257837489 573613856 /nfs/dbraw/zinc/61/38/56/573613856.db2.gz ARULEKYPRMMDOS-VIFPVBQESA-N -1 3 195.222 1.033 10 0 ADAEHM CCCN(/C=C/C(=O)[O-])[C@H]1CCOC1 308643524 573614972 /nfs/dbraw/zinc/61/49/72/573614972.db2.gz FOECLIRIYBIKJE-SWTNXBIASA-N -1 3 199.250 1.086 10 0 ADAEHM [O-]c1ccccc1-c1cccnn1 75562208 573617699 /nfs/dbraw/zinc/61/76/99/573617699.db2.gz OBYBJJBTILSZTE-UHFFFAOYSA-N -1 3 172.187 1.849 10 0 ADAEHM C[C@@H]1CCC[C@@H](N2CC(=O)[N-]C2=O)C1 86785461 573617728 /nfs/dbraw/zinc/61/77/28/573617728.db2.gz ZZJHEKQAMOLHBB-HTQZYQBOSA-N -1 3 196.250 1.117 10 0 ADAEHM O=c1cc(OCC2CCCC2)nc[n-]1 236411949 573618001 /nfs/dbraw/zinc/61/80/01/573618001.db2.gz JLCPOPHMEZWBNE-UHFFFAOYSA-N -1 3 194.234 1.339 10 0 ADAEHM [O-]c1ccc(CNn2cccc2)nc1 86792090 573618589 /nfs/dbraw/zinc/61/85/89/573618589.db2.gz MZTRVUMQZCISLA-UHFFFAOYSA-N -1 3 189.218 1.332 10 0 ADAEHM Cc1cc(Cl)c([O-])c(CO)c1 75563123 573618680 /nfs/dbraw/zinc/61/86/80/573618680.db2.gz GGQYBSBRDGQHBS-UHFFFAOYSA-N -1 3 172.611 1.846 10 0 ADAEHM [O-]c1ccc(CNc2cn[nH]c2)nc1 86790833 573618742 /nfs/dbraw/zinc/61/87/42/573618742.db2.gz IEIMZJHXOBLWHS-UHFFFAOYSA-N -1 3 190.206 1.122 10 0 ADAEHM O=Cc1cc([O-])c2ncccc2c1 75563293 573619256 /nfs/dbraw/zinc/61/92/56/573619256.db2.gz ROMORGXJVYYQLO-UHFFFAOYSA-N -1 3 173.171 1.753 10 0 ADAEHM C[C@H]1CCC[C@@H](N2CC(=O)[N-]C2=O)C1 86785464 573619369 /nfs/dbraw/zinc/61/93/69/573619369.db2.gz ZZJHEKQAMOLHBB-JGVFFNPUSA-N -1 3 196.250 1.117 10 0 ADAEHM CC1CCC(N2CC(=O)[N-]C2=O)CC1 86785217 573619628 /nfs/dbraw/zinc/61/96/28/573619628.db2.gz DNHUGCFMKKXYOR-UHFFFAOYSA-N -1 3 196.250 1.117 10 0 ADAEHM C[C@H]1CCCC[C@@H]1N1CC(=O)[N-]C1=O 86785163 573619712 /nfs/dbraw/zinc/61/97/12/573619712.db2.gz UJEHUDFCZPLSBT-YUMQZZPRSA-N -1 3 196.250 1.117 10 0 ADAEHM CCCc1c[n-][nH]c1=O 258823780 573619762 /nfs/dbraw/zinc/61/97/62/573619762.db2.gz OTJXFGSQLQQNNE-UHFFFAOYSA-N -1 3 126.159 1.068 10 0 ADAEHM CC[C@H](NCc1ccoc1)C(=O)[O-] 130622565 573619886 /nfs/dbraw/zinc/61/98/86/573619886.db2.gz DOSUIWQRNGQWKM-QMMMGPOBSA-N -1 3 183.207 1.232 10 0 ADAEHM COCOc1ccc2c([O-])coc2c1 83748946 573619977 /nfs/dbraw/zinc/61/99/77/573619977.db2.gz YASRFXMEZMXQOC-UHFFFAOYSA-N -1 3 194.186 1.244 10 0 ADAEHM C[C@H](C1CCCC1)N1CC(=O)[N-]C1=O 86786429 573620027 /nfs/dbraw/zinc/62/00/27/573620027.db2.gz WMUSWYDULPJZJD-SSDOTTSWSA-N -1 3 196.250 1.117 10 0 ADAEHM C[C@@H](C1CCCC1)N1CC(=O)[N-]C1=O 86786426 573620211 /nfs/dbraw/zinc/62/02/11/573620211.db2.gz WMUSWYDULPJZJD-ZETCQYMHSA-N -1 3 196.250 1.117 10 0 ADAEHM O=C1CN(CCC2CCCC2)C(=O)[N-]1 86785801 573620563 /nfs/dbraw/zinc/62/05/63/573620563.db2.gz QOWKIEOKSXJQKC-UHFFFAOYSA-N -1 3 196.250 1.119 10 0 ADAEHM C[C@H]1CCC[C@H](N2CC(=O)[N-]C2=O)C1 86785459 573620695 /nfs/dbraw/zinc/62/06/95/573620695.db2.gz ZZJHEKQAMOLHBB-YUMQZZPRSA-N -1 3 196.250 1.117 10 0 ADAEHM CC[C@H](C)NC(=O)[N-]C(=N)SC 142891066 573620702 /nfs/dbraw/zinc/62/07/02/573620702.db2.gz SUQAIIBKWZMIRY-YFKPBYRVSA-N -1 3 189.284 1.382 10 0 ADAEHM CC1(CN2CC(=O)[N-]C2=O)CCCC1 86786113 573620716 /nfs/dbraw/zinc/62/07/16/573620716.db2.gz CAVVCWKHQLTKGN-UHFFFAOYSA-N -1 3 196.250 1.119 10 0 ADAEHM Cc1cc2ccc([O-])cc2c(=O)[nH]1 75565172 573620860 /nfs/dbraw/zinc/62/08/60/573620860.db2.gz NOSXDJKCUPRHNT-UHFFFAOYSA-N -1 3 175.187 1.542 10 0 ADAEHM C[C@@H]1CCCC[C@@H]1N1CC(=O)[N-]C1=O 86785161 573620882 /nfs/dbraw/zinc/62/08/82/573620882.db2.gz UJEHUDFCZPLSBT-SFYZADRCSA-N -1 3 196.250 1.117 10 0 ADAEHM Cc1cc([C@@H](C)O)c(F)cc1[O-] 258070508 573620977 /nfs/dbraw/zinc/62/09/77/573620977.db2.gz UMWYPIHBYOINQS-ZCFIWIBFSA-N -1 3 170.183 1.893 10 0 ADAEHM O=C1CN(C2CCCCCC2)C(=O)[N-]1 86785385 573621126 /nfs/dbraw/zinc/62/11/26/573621126.db2.gz RFSTWKUGMVNKMD-UHFFFAOYSA-N -1 3 196.250 1.261 10 0 ADAEHM NCc1nc(Cl)c2c([O-])cccn12 258504551 573624376 /nfs/dbraw/zinc/62/43/76/573624376.db2.gz KKNIWYPICCEZEL-UHFFFAOYSA-N -1 3 197.625 1.152 10 0 ADAEHM CC[C@@](C)(Nc1ccncc1)C(=O)[O-] 86797230 573624396 /nfs/dbraw/zinc/62/43/96/573624396.db2.gz VLLZHVODOBFULE-SNVBAGLBSA-N -1 3 194.234 1.747 10 0 ADAEHM CCOc1cc(C(C)=O)ccc1[O-] 75569860 573624619 /nfs/dbraw/zinc/62/46/19/573624619.db2.gz BNMHCCDWXGBFGJ-UHFFFAOYSA-N -1 3 180.203 1.994 10 0 ADAEHM CC[C@@](C)(Nc1nccn1C)C(=O)[O-] 86797205 573625153 /nfs/dbraw/zinc/62/51/53/573625153.db2.gz YDXPROZWRIUORQ-SECBINFHSA-N -1 3 197.238 1.085 10 0 ADAEHM Cn1ccnc1-c1ccc([O-])cc1F 96551238 573625994 /nfs/dbraw/zinc/62/59/94/573625994.db2.gz ALFHSYQBGMKCKQ-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM O=C([O-])[C@H]1CC[C@@H](c2ccco2)NC1 107463545 573626010 /nfs/dbraw/zinc/62/60/10/573626010.db2.gz XGGJHPWNMLZJDU-YUMQZZPRSA-N -1 3 195.218 1.405 10 0 ADAEHM CC[C@](C)(Nc1nccn1C)C(=O)[O-] 86797204 573626154 /nfs/dbraw/zinc/62/61/54/573626154.db2.gz YDXPROZWRIUORQ-VIFPVBQESA-N -1 3 197.238 1.085 10 0 ADAEHM Cc1cc(C)cc([C@](C)(N)C(=O)[O-])c1 96554522 573626175 /nfs/dbraw/zinc/62/61/75/573626175.db2.gz HMMHRLOHVDUHBK-NSHDSACASA-N -1 3 193.246 1.562 10 0 ADAEHM CC(C)(N)c1cc([O-])ccc1C=O 258072618 573626191 /nfs/dbraw/zinc/62/61/91/573626191.db2.gz USWUKLAIPWDCAB-UHFFFAOYSA-N -1 3 179.219 1.399 10 0 ADAEHM O=C([O-])[C@@H]1CC[C@@H](c2ccco2)NC1 107463551 573626539 /nfs/dbraw/zinc/62/65/39/573626539.db2.gz XGGJHPWNMLZJDU-SFYZADRCSA-N -1 3 195.218 1.405 10 0 ADAEHM C[C@H]1CC[C@@]2(CC(=O)C=C2[O-])C1 238453455 573626683 /nfs/dbraw/zinc/62/66/83/573626683.db2.gz BQMFSUQZZUNVCL-XVKPBYJWSA-N -1 3 166.220 1.725 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2CC[C@@H](C)C2)n1 83782617 573626942 /nfs/dbraw/zinc/62/69/42/573626942.db2.gz MWUUTKKNAPIGJT-APPZFPTMSA-N -1 3 192.262 1.982 10 0 ADAEHM C[C@@H]1CC[C@H](c2nc(N)cc(=O)[n-]2)C1 83781626 573627767 /nfs/dbraw/zinc/62/77/67/573627767.db2.gz VDZFJBGKAJUPRM-RQJHMYQMSA-N -1 3 193.250 1.256 10 0 ADAEHM O=C([O-])[C@@H]1CC[C@H](c2ccco2)NC1 107463554 573627807 /nfs/dbraw/zinc/62/78/07/573627807.db2.gz XGGJHPWNMLZJDU-HTQZYQBOSA-N -1 3 195.218 1.405 10 0 ADAEHM C[C@H]1CC[C@H](c2nc(N)cc(=O)[n-]2)C1 83781627 573627865 /nfs/dbraw/zinc/62/78/65/573627865.db2.gz VDZFJBGKAJUPRM-BQBZGAKWSA-N -1 3 193.250 1.256 10 0 ADAEHM Cc1noc(-c2ccccc2[O-])c1N 75579584 573628050 /nfs/dbraw/zinc/62/80/50/573628050.db2.gz NDEUCUWMRLWNIB-UHFFFAOYSA-N -1 3 190.202 1.938 10 0 ADAEHM CC(C)CSc1ncc([O-])cn1 75576681 573627958 /nfs/dbraw/zinc/62/79/58/573627958.db2.gz HUFSWRZCZOSTQR-UHFFFAOYSA-N -1 3 184.264 1.930 10 0 ADAEHM C[C@H]1CC[C@@H](c2nc([O-])cc(=O)[nH]2)C1 83783026 573629639 /nfs/dbraw/zinc/62/96/39/573629639.db2.gz CUBFYQRQSDZHSF-NKWVEPMBSA-N -1 3 194.234 1.379 10 0 ADAEHM O=Cc1cc(O)c2c(c1[O-])CC=CC2 75579516 573630618 /nfs/dbraw/zinc/63/06/18/573630618.db2.gz GWKFMQBVXOEIHJ-UHFFFAOYSA-N -1 3 190.198 1.565 10 0 ADAEHM Cc1ccc([O-])c(SCCO)n1 75576936 573630853 /nfs/dbraw/zinc/63/08/53/573630853.db2.gz BJSZBOSCMKRQEN-UHFFFAOYSA-N -1 3 185.248 1.180 10 0 ADAEHM C[C@H]1CC[C@H](c2nc([O-])cc(=O)[nH]2)C1 83783021 573631147 /nfs/dbraw/zinc/63/11/47/573631147.db2.gz CUBFYQRQSDZHSF-BQBZGAKWSA-N -1 3 194.234 1.379 10 0 ADAEHM O=Cc1ncn(-c2ccccc2)c1[O-] 75578352 573631199 /nfs/dbraw/zinc/63/11/99/573631199.db2.gz DLXOXXJLJPHMHU-UHFFFAOYSA-N -1 3 188.186 1.390 10 0 ADAEHM C[C@@H]1Cc2c([O-])cc(O)cc2C(=O)O1 75581561 573632988 /nfs/dbraw/zinc/63/29/88/573632988.db2.gz OINLIMYCKRUGEC-RXMQYKEDSA-N -1 3 194.186 1.199 10 0 ADAEHM CCCN1Cc2cc([O-])ccc2C1=O 75580116 573633479 /nfs/dbraw/zinc/63/34/79/573633479.db2.gz PGSXTHNBEYPYNU-UHFFFAOYSA-N -1 3 191.230 1.758 10 0 ADAEHM C[C@H]1CCc2c(ccc(C=O)c2[O-])O1 75580551 573635486 /nfs/dbraw/zinc/63/54/86/573635486.db2.gz FVNLZUXVAPFKBF-ZETCQYMHSA-N -1 3 192.214 1.918 10 0 ADAEHM O=Cc1nc(Cl)c(Cl)nc1[O-] 75581096 573635575 /nfs/dbraw/zinc/63/55/75/573635575.db2.gz VHUINMZQWJVCLE-UHFFFAOYSA-N -1 3 192.989 1.302 10 0 ADAEHM COC(=O)c1[n-]nc2cc(C)oc12 259616894 573635665 /nfs/dbraw/zinc/63/56/65/573635665.db2.gz FNBXHZOZABQZBR-UHFFFAOYSA-N -1 3 180.163 1.251 10 0 ADAEHM [O-]c1c(F)cc(Cl)cc1CCO 258072959 573635712 /nfs/dbraw/zinc/63/57/12/573635712.db2.gz MMHMIPNIOYPANU-UHFFFAOYSA-N -1 3 190.601 1.720 10 0 ADAEHM C[C@@H]1C=C([C@H](N)C(=O)[O-])CC(C)(C)C1 238460545 573636799 /nfs/dbraw/zinc/63/67/99/573636799.db2.gz MDPOPCULSBFZGT-APPZFPTMSA-N -1 3 197.278 1.781 10 0 ADAEHM CC1(C)CN(/C=C\C(=O)[O-])CCCO1 308651104 573639855 /nfs/dbraw/zinc/63/98/55/573639855.db2.gz KMRWFZKJUOQSBT-XQRVVYSFSA-N -1 3 199.250 1.086 10 0 ADAEHM CN(C)C[C@@]1(F)CC[C@H](C(=O)[O-])C1 257844986 573639725 /nfs/dbraw/zinc/63/97/25/573639725.db2.gz NJNVVBFMQFPOMJ-IONNQARKSA-N -1 3 189.230 1.141 10 0 ADAEHM CN(C)C[C@]1(F)CC[C@H](C(=O)[O-])C1 257844984 573639895 /nfs/dbraw/zinc/63/98/95/573639895.db2.gz NJNVVBFMQFPOMJ-CBAPKCEASA-N -1 3 189.230 1.141 10 0 ADAEHM [O-]c1ccccc1Oc1ncc[nH]1 257845612 573640958 /nfs/dbraw/zinc/64/09/58/573640958.db2.gz ABJBHFJGUSRUSY-UHFFFAOYSA-N -1 3 176.175 1.908 10 0 ADAEHM CCc1c(C)nc([C@@H]2C[C@H]2C)[n-]c1=O 83806059 573642819 /nfs/dbraw/zinc/64/28/19/573642819.db2.gz OIACZUBJSLPSST-HZGVNTEJSA-N -1 3 192.262 1.764 10 0 ADAEHM O=C1CCCON1c1cccc([O-])c1 257845005 573641280 /nfs/dbraw/zinc/64/12/80/573641280.db2.gz NKDVYVSXGBNOPV-UHFFFAOYSA-N -1 3 193.202 1.451 10 0 ADAEHM Cc1ccnc2oc(C(=O)[O-])c(N)c12 75584555 573641310 /nfs/dbraw/zinc/64/13/10/573641310.db2.gz VRZYRAUVTUURBA-UHFFFAOYSA-N -1 3 192.174 1.417 10 0 ADAEHM CCc1nc([C@H]2C[C@H]2C)[n-]c(=O)c1C 83806118 573642832 /nfs/dbraw/zinc/64/28/32/573642832.db2.gz YDWWSLHADSFFML-SVRRBLITSA-N -1 3 192.262 1.764 10 0 ADAEHM Cc1ccc(OC([O-])=NC(N)=O)cc1 238462033 573641558 /nfs/dbraw/zinc/64/15/58/573641558.db2.gz BSBOERCAIOUPOJ-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1ccc(OC(=O)N=C(N)[O-])cc1 238462033 573641562 /nfs/dbraw/zinc/64/15/62/573641562.db2.gz BSBOERCAIOUPOJ-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1ccc(OC(=O)[N-]C(N)=O)cc1 238462033 573641567 /nfs/dbraw/zinc/64/15/67/573641567.db2.gz BSBOERCAIOUPOJ-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM CN(C)C[C@@]1(F)CC[C@@H](C(=O)[O-])C1 257844987 573641604 /nfs/dbraw/zinc/64/16/04/573641604.db2.gz NJNVVBFMQFPOMJ-VXNVDRBHSA-N -1 3 189.230 1.141 10 0 ADAEHM CCCc1cc(=O)[n-]c([C@H]2C[C@@H]2C)n1 83806013 573641860 /nfs/dbraw/zinc/64/18/60/573641860.db2.gz VACPTKCPOHIYEQ-CBAPKCEASA-N -1 3 192.262 1.846 10 0 ADAEHM CCc1c(N)nc([C@@H]2C[C@@H]2C)[n-]c1=O 83805916 573641930 /nfs/dbraw/zinc/64/19/30/573641930.db2.gz CWCZRPBBCFNUHI-CAHLUQPWSA-N -1 3 193.250 1.038 10 0 ADAEHM CCc1nc([C@@H]2C[C@H]2C)[n-]c(=O)c1C 83806116 573641945 /nfs/dbraw/zinc/64/19/45/573641945.db2.gz YDWWSLHADSFFML-HTRCEHHLSA-N -1 3 192.262 1.764 10 0 ADAEHM C[C@H]1C[C@H]1c1nc(C2CC2)cc(=O)[n-]1 83806107 573642034 /nfs/dbraw/zinc/64/20/34/573642034.db2.gz PXGJASSTPXUXMA-POYBYMJQSA-N -1 3 190.246 1.771 10 0 ADAEHM COCc1cc(=O)[n-]c([C@H]2C[C@H]2C)n1 83806077 573642203 /nfs/dbraw/zinc/64/22/03/573642203.db2.gz MZCRIYQPLAQSHC-SVRRBLITSA-N -1 3 194.234 1.040 10 0 ADAEHM Cc1ccc([O-])c(SC[C@@H](C)O)n1 75601370 573642260 /nfs/dbraw/zinc/64/22/60/573642260.db2.gz BRHMXKXVCAMCTO-SSDOTTSWSA-N -1 3 199.275 1.569 10 0 ADAEHM O=Cc1coc2cccc([O-])c12 257839660 573642361 /nfs/dbraw/zinc/64/23/61/573642361.db2.gz BLPQYWKVUPBXPR-UHFFFAOYSA-N -1 3 162.144 1.951 10 0 ADAEHM CCc1c(N)nc([C@H]2C[C@H]2C)[n-]c1=O 83805923 573642398 /nfs/dbraw/zinc/64/23/98/573642398.db2.gz CWCZRPBBCFNUHI-VDTYLAMSSA-N -1 3 193.250 1.038 10 0 ADAEHM C[C@H]1C[C@@H]1c1nc2c(c(=O)[n-]1)CCC2 83806066 573642594 /nfs/dbraw/zinc/64/25/94/573642594.db2.gz ZFYSNIXFASIBGT-XPUUQOCRSA-N -1 3 190.246 1.382 10 0 ADAEHM CCc1cc(=O)[n-]c([C@@H]2C[C@@H]2C)n1 83806026 573642612 /nfs/dbraw/zinc/64/26/12/573642612.db2.gz WNKAKRUKUOWNEU-POYBYMJQSA-N -1 3 178.235 1.456 10 0 ADAEHM Cc1nc([C@H]2C[C@@H]2C)[n-]c(=O)c1C 83806051 573642637 /nfs/dbraw/zinc/64/26/37/573642637.db2.gz JSUUKVUZFRQCJA-XNCJUZBTSA-N -1 3 178.235 1.510 10 0 ADAEHM CCCc1cc(=O)[n-]c([C@H]2C[C@H]2C)n1 83806017 573642665 /nfs/dbraw/zinc/64/26/65/573642665.db2.gz VACPTKCPOHIYEQ-APPZFPTMSA-N -1 3 192.262 1.846 10 0 ADAEHM C[C@H](C(=O)[O-])[C@]1(F)CCCN(C)C1 257839774 573642900 /nfs/dbraw/zinc/64/29/00/573642900.db2.gz LRTOLIOKVYKMGO-APPZFPTMSA-N -1 3 189.230 1.141 10 0 ADAEHM CCc1cc(=O)[n-]c([C@H]2C[C@@H]2C)n1 83806028 573644305 /nfs/dbraw/zinc/64/43/05/573644305.db2.gz WNKAKRUKUOWNEU-XPUUQOCRSA-N -1 3 178.235 1.456 10 0 ADAEHM C[C@@H]1C[C@H]1c1nc(C2CC2)cc(=O)[n-]1 83806104 573644442 /nfs/dbraw/zinc/64/44/42/573644442.db2.gz PXGJASSTPXUXMA-HTRCEHHLSA-N -1 3 190.246 1.771 10 0 ADAEHM C[C@H](C(=O)[O-])[C@@]1(F)CCCN(C)C1 257839778 573644456 /nfs/dbraw/zinc/64/44/56/573644456.db2.gz LRTOLIOKVYKMGO-VXNVDRBHSA-N -1 3 189.230 1.141 10 0 ADAEHM Cc1ccc([O-])c(SC[C@H](C)O)n1 75601371 573643882 /nfs/dbraw/zinc/64/38/82/573643882.db2.gz BRHMXKXVCAMCTO-ZETCQYMHSA-N -1 3 199.275 1.569 10 0 ADAEHM Cc1nc([C@H]2C[C@H]2C)[n-]c(=O)c1C 83806054 573644103 /nfs/dbraw/zinc/64/41/03/573644103.db2.gz JSUUKVUZFRQCJA-XRGYYRRGSA-N -1 3 178.235 1.510 10 0 ADAEHM CCc1c(C)nc([C@H]2C[C@H]2C)[n-]c1=O 83806061 573644200 /nfs/dbraw/zinc/64/42/00/573644200.db2.gz OIACZUBJSLPSST-MUWHJKNJSA-N -1 3 192.262 1.764 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2C[C@@H]2C)n1 83806005 573644218 /nfs/dbraw/zinc/64/42/18/573644218.db2.gz GLBHTUHGDOPWGQ-FSPLSTOPSA-N -1 3 164.208 1.202 10 0 ADAEHM C[C@@H]1C[C@@H]1c1nc2c(c(=O)[n-]1)CCC2 83806064 573644714 /nfs/dbraw/zinc/64/47/14/573644714.db2.gz ZFYSNIXFASIBGT-SVRRBLITSA-N -1 3 190.246 1.382 10 0 ADAEHM Cc1nc([C@@H]2C[C@H]2C)[n-]c(=O)c1C 83806053 573644768 /nfs/dbraw/zinc/64/47/68/573644768.db2.gz JSUUKVUZFRQCJA-SVGQVSJJSA-N -1 3 178.235 1.510 10 0 ADAEHM C[C@@H]1C[C@H]1c1nc2c(c(=O)[n-]1)CCC2 83806068 573644853 /nfs/dbraw/zinc/64/48/53/573644853.db2.gz ZFYSNIXFASIBGT-HTRCEHHLSA-N -1 3 190.246 1.382 10 0 ADAEHM CCc1nc([C@H]2C[C@@H]2C)[n-]c(=O)c1C 83806115 573644914 /nfs/dbraw/zinc/64/49/14/573644914.db2.gz YDWWSLHADSFFML-XPUUQOCRSA-N -1 3 192.262 1.764 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@@]1(F)CCCN(C)C1 257839777 573644963 /nfs/dbraw/zinc/64/49/63/573644963.db2.gz LRTOLIOKVYKMGO-IONNQARKSA-N -1 3 189.230 1.141 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2C[C@@H]2C)n1 83806003 573645062 /nfs/dbraw/zinc/64/50/62/573645062.db2.gz GLBHTUHGDOPWGQ-CAHLUQPWSA-N -1 3 164.208 1.202 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2C[C@H]2C)n1 83806007 573645117 /nfs/dbraw/zinc/64/51/17/573645117.db2.gz GLBHTUHGDOPWGQ-IYSWYEEDSA-N -1 3 164.208 1.202 10 0 ADAEHM COCc1cc(=O)[n-]c([C@@H]2C[C@H]2C)n1 83806082 573645290 /nfs/dbraw/zinc/64/52/90/573645290.db2.gz MZCRIYQPLAQSHC-HTRCEHHLSA-N -1 3 194.234 1.040 10 0 ADAEHM CCc1c(C)nc([C@@H]2C[C@@H]2C)[n-]c1=O 83806056 573645353 /nfs/dbraw/zinc/64/53/53/573645353.db2.gz OIACZUBJSLPSST-IMTBSYHQSA-N -1 3 192.262 1.764 10 0 ADAEHM CCCc1cc(=O)[n-]c([C@@H]2C[C@@H]2C)n1 83806011 573645451 /nfs/dbraw/zinc/64/54/51/573645451.db2.gz VACPTKCPOHIYEQ-IONNQARKSA-N -1 3 192.262 1.846 10 0 ADAEHM CCc1c(N)nc([C@H]2C[C@@H]2C)[n-]c1=O 83805918 573645510 /nfs/dbraw/zinc/64/55/10/573645510.db2.gz CWCZRPBBCFNUHI-FSPLSTOPSA-N -1 3 193.250 1.038 10 0 ADAEHM CN1CCC(C[C@@H](F)C(=O)[O-])CC1 257838748 573645516 /nfs/dbraw/zinc/64/55/16/573645516.db2.gz LMXOOPJUQZTVIJ-MRVPVSSYSA-N -1 3 189.230 1.141 10 0 ADAEHM C[C@H]1C[C@@H]1c1nc(C2CC2)cc(=O)[n-]1 83806103 573645858 /nfs/dbraw/zinc/64/58/58/573645858.db2.gz PXGJASSTPXUXMA-XPUUQOCRSA-N -1 3 190.246 1.771 10 0 ADAEHM CCc1cc(=O)[n-]c([C@H]2C[C@H]2C)n1 83806032 573645876 /nfs/dbraw/zinc/64/58/76/573645876.db2.gz WNKAKRUKUOWNEU-SVRRBLITSA-N -1 3 178.235 1.456 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@]1(F)CCCN(C)C1 257839776 573645877 /nfs/dbraw/zinc/64/58/77/573645877.db2.gz LRTOLIOKVYKMGO-CBAPKCEASA-N -1 3 189.230 1.141 10 0 ADAEHM C[C@H](NCc1ccoc1)[C@@H](C)C(=O)[O-] 130663184 573645942 /nfs/dbraw/zinc/64/59/42/573645942.db2.gz OLXYOLRJYOQNCI-SFYZADRCSA-N -1 3 197.234 1.478 10 0 ADAEHM COCc1cc(=O)[n-]c([C@H]2C[C@@H]2C)n1 83806079 573646024 /nfs/dbraw/zinc/64/60/24/573646024.db2.gz MZCRIYQPLAQSHC-XPUUQOCRSA-N -1 3 194.234 1.040 10 0 ADAEHM CCc1c(N)nc([C@@H]2C[C@H]2C)[n-]c1=O 83805920 573646101 /nfs/dbraw/zinc/64/61/01/573646101.db2.gz CWCZRPBBCFNUHI-IYSWYEEDSA-N -1 3 193.250 1.038 10 0 ADAEHM C[C@H](C(=O)[O-])[C@@H](C)NCc1ccoc1 130662599 573646262 /nfs/dbraw/zinc/64/62/62/573646262.db2.gz OLXYOLRJYOQNCI-JGVFFNPUSA-N -1 3 197.234 1.478 10 0 ADAEHM CCc1c(C)nc([C@H]2C[C@@H]2C)[n-]c1=O 83806058 573646348 /nfs/dbraw/zinc/64/63/48/573646348.db2.gz OIACZUBJSLPSST-RCOVLWMOSA-N -1 3 192.262 1.764 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2C[C@H]2C)n1 83806009 573646377 /nfs/dbraw/zinc/64/63/77/573646377.db2.gz GLBHTUHGDOPWGQ-VDTYLAMSSA-N -1 3 164.208 1.202 10 0 ADAEHM COCc1cc(=O)[n-]c([C@@H]2C[C@@H]2C)n1 83806083 573646445 /nfs/dbraw/zinc/64/64/45/573646445.db2.gz MZCRIYQPLAQSHC-POYBYMJQSA-N -1 3 194.234 1.040 10 0 ADAEHM CCc1cc(=O)[n-]c([C@@H]2C[C@H]2C)n1 83806030 573646623 /nfs/dbraw/zinc/64/66/23/573646623.db2.gz WNKAKRUKUOWNEU-HTRCEHHLSA-N -1 3 178.235 1.456 10 0 ADAEHM CN1CCC(C[C@H](F)C(=O)[O-])CC1 257838749 573646980 /nfs/dbraw/zinc/64/69/80/573646980.db2.gz LMXOOPJUQZTVIJ-QMMMGPOBSA-N -1 3 189.230 1.141 10 0 ADAEHM CCc1nc([C@@H]2C[C@@H]2C)[n-]c(=O)c1C 83806108 573646799 /nfs/dbraw/zinc/64/67/99/573646799.db2.gz YDWWSLHADSFFML-POYBYMJQSA-N -1 3 192.262 1.764 10 0 ADAEHM C[C@H]1C[C@H]1c1nc2c(c(=O)[n-]1)CCC2 83806070 573646923 /nfs/dbraw/zinc/64/69/23/573646923.db2.gz ZFYSNIXFASIBGT-POYBYMJQSA-N -1 3 190.246 1.382 10 0 ADAEHM S=c1nc2c(c(Cl)[n-]1)CNC2 259539097 573648274 /nfs/dbraw/zinc/64/82/74/573648274.db2.gz VBECNKSIGSYXBT-UHFFFAOYSA-N -1 3 187.655 1.022 10 0 ADAEHM Cc1cc([O-])c(C(F)F)c(=O)[nH]1 238466492 573650251 /nfs/dbraw/zinc/65/02/51/573650251.db2.gz IVXWLMKCRDKMRA-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM C[C@@H](CN(C)Cc1ccc[nH]1)C(=O)[O-] 258844301 573652520 /nfs/dbraw/zinc/65/25/20/573652520.db2.gz IJHCQLIRMLVVDP-QMMMGPOBSA-N -1 3 196.250 1.167 10 0 ADAEHM CC[N-]C(=S)O[C@H](C)CC 33754026 573653629 /nfs/dbraw/zinc/65/36/29/573653629.db2.gz ATOJBHJWQMBYMX-ZCFIWIBFSA-N -1 3 161.270 1.696 10 0 ADAEHM CN[C@@H](c1ccccn1)[C@@H](C)C(=O)[O-] 259542901 573653730 /nfs/dbraw/zinc/65/37/30/573653730.db2.gz VJSOKTMKJOUZQG-VXNVDRBHSA-N -1 3 194.234 1.063 10 0 ADAEHM C[C@H]1[N-]C(=S)O[C@H]1c1ccccn1 238470955 573653906 /nfs/dbraw/zinc/65/39/06/573653906.db2.gz RNGZWEOQDHFJNS-HTRCEHHLSA-N -1 3 194.259 1.416 10 0 ADAEHM C[C@H]1[N-]C(=S)O[C@@H]1c1ccncc1 238470918 573653962 /nfs/dbraw/zinc/65/39/62/573653962.db2.gz KXNILGFSTMYHFX-SVRRBLITSA-N -1 3 194.259 1.416 10 0 ADAEHM C[C@@H]1COC(c2ccc([O-])cc2)=N1 238458848 573654144 /nfs/dbraw/zinc/65/41/44/573654144.db2.gz YQXFOLGFFXSGMQ-SSDOTTSWSA-N -1 3 177.203 1.558 10 0 ADAEHM O=Cc1nocc1-c1ccccc1[O-] 257841593 573654706 /nfs/dbraw/zinc/65/47/06/573654706.db2.gz OFQOZESHVIKCQB-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM N[C@H](/C=C/c1cccc(F)c1)C(=O)[O-] 257841289 573654208 /nfs/dbraw/zinc/65/42/08/573654208.db2.gz MGKZVALSTYSDAM-XNPJLODASA-N -1 3 195.193 1.251 10 0 ADAEHM COc1ccc(-c2c[n-][nH]c2=O)cc1 258844432 573654249 /nfs/dbraw/zinc/65/42/49/573654249.db2.gz QCDNLHLIJJGSKR-UHFFFAOYSA-N -1 3 190.202 1.791 10 0 ADAEHM C[C@H](CN(C)Cc1ccc[nH]1)C(=O)[O-] 258844299 573654297 /nfs/dbraw/zinc/65/42/97/573654297.db2.gz IJHCQLIRMLVVDP-MRVPVSSYSA-N -1 3 196.250 1.167 10 0 ADAEHM CN[C@@H](c1ccccn1)[C@H](C)C(=O)[O-] 259542899 573654575 /nfs/dbraw/zinc/65/45/75/573654575.db2.gz VJSOKTMKJOUZQG-IONNQARKSA-N -1 3 194.234 1.063 10 0 ADAEHM CN1CCCC[C@H]1/C=C\CC(=O)[O-] 258081102 573657969 /nfs/dbraw/zinc/65/79/69/573657969.db2.gz FXOYFAGIHRMSFF-RNEXMXFGSA-N -1 3 183.251 1.502 10 0 ADAEHM Cc1cc([O-])c(=O)[nH]c1C(F)F 238472044 573659952 /nfs/dbraw/zinc/65/99/52/573659952.db2.gz GSPKLQDXPUIMAC-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM Cc1ncc(C2CCC2)c(=O)[n-]1 258509522 573661104 /nfs/dbraw/zinc/66/11/04/573661104.db2.gz KSOBTDRBXDEKBE-UHFFFAOYSA-N -1 3 164.208 1.758 10 0 ADAEHM Cc1ncc(CO)c(C(F)F)c1[O-] 238472931 573661294 /nfs/dbraw/zinc/66/12/94/573661294.db2.gz NFKBRRUAARPHCN-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM Cc1ncc(CN)c(C(F)F)c1[O-] 238471597 573661893 /nfs/dbraw/zinc/66/18/93/573661893.db2.gz VPUUKDJRANFXFD-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM C[C@@H]1NCCc2ccc([O-])c(F)c21 75642834 573661989 /nfs/dbraw/zinc/66/19/89/573661989.db2.gz UFMRGLZMMHGROP-LURJTMIESA-N -1 3 181.210 1.738 10 0 ADAEHM CCOc1cc(C)nc(C)c1C(=O)[O-] 83822564 573662123 /nfs/dbraw/zinc/66/21/23/573662123.db2.gz WQWGMXDOKNKKCY-UHFFFAOYSA-N -1 3 195.218 1.795 10 0 ADAEHM O=c1[nH][n-]cc1-c1ccc(F)cc1 258859388 573664519 /nfs/dbraw/zinc/66/45/19/573664519.db2.gz RCIQHIQZPOMVSA-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM Cc1ccccc1[C@H](F)[C@H](N)C(=O)[O-] 257846588 573664769 /nfs/dbraw/zinc/66/47/69/573664769.db2.gz NTQKVRRXLNPKLB-IUCAKERBSA-N -1 3 197.209 1.418 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccc(C2CC2)cc1 83823359 573666966 /nfs/dbraw/zinc/66/69/66/573666966.db2.gz JTRMTBUOPIEFJI-JTQLQIEISA-N -1 3 191.230 1.648 10 0 ADAEHM CCn1c(=O)ccc2cccc([O-])c21 144594191 573666399 /nfs/dbraw/zinc/66/63/99/573666399.db2.gz WWDOAINNONYEIW-UHFFFAOYSA-N -1 3 189.214 1.727 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccc(C2CC2)cc1 83823360 573666686 /nfs/dbraw/zinc/66/66/86/573666686.db2.gz JTRMTBUOPIEFJI-SNVBAGLBSA-N -1 3 191.230 1.648 10 0 ADAEHM NCc1cc(-c2ccccc2[O-])on1 259154309 573666931 /nfs/dbraw/zinc/66/69/31/573666931.db2.gz IBGRJPVMYFSZJA-UHFFFAOYSA-N -1 3 190.202 1.506 10 0 ADAEHM C[C@H]1CC(=N)c2c([O-])cc(O)cc2O1 238474510 573667747 /nfs/dbraw/zinc/66/77/47/573667747.db2.gz FTSGUAJBQXIDAA-YFKPBYRVSA-N -1 3 193.202 1.637 10 0 ADAEHM C[C@H](CCC1=CCN(C)CC1)C(=O)[O-] 258077754 573672596 /nfs/dbraw/zinc/67/25/96/573672596.db2.gz MRNXIHUHJMMZGV-SECBINFHSA-N -1 3 197.278 1.749 10 0 ADAEHM Cc1ccccc1N([O-])C(N)=O 238475830 573669708 /nfs/dbraw/zinc/66/97/08/573669708.db2.gz FDHSGYFXPLDKKT-UHFFFAOYSA-N -1 3 166.180 1.269 10 0 ADAEHM CC1(N2CC(=O)[N-]C2=O)CCCCC1 83825772 573670008 /nfs/dbraw/zinc/67/00/08/573670008.db2.gz PQJKYNUSWPSZQA-UHFFFAOYSA-N -1 3 196.250 1.261 10 0 ADAEHM C[C@@H]1CCC[C@@H]([C@H]2NC(=O)[N-]C2=O)C1 83825756 573670118 /nfs/dbraw/zinc/67/01/18/573670118.db2.gz XSIMQAWFSAGSNX-BWZBUEFSSA-N -1 3 196.250 1.021 10 0 ADAEHM C[C@@H]1CCC[C@H]([C@H]2NC(=O)[N-]C2=O)C1 83825754 573670569 /nfs/dbraw/zinc/67/05/69/573670569.db2.gz XSIMQAWFSAGSNX-GJMOJQLCSA-N -1 3 196.250 1.021 10 0 ADAEHM COc1cc(F)cc([O-])c1C1(O)CC1 258075751 573670680 /nfs/dbraw/zinc/67/06/80/573670680.db2.gz MSSUELBYAKOCET-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM CC1(C)CCC[C@@H]1N1CC(=O)[N-]C1=O 86878489 573670939 /nfs/dbraw/zinc/67/09/39/573670939.db2.gz YREJNJBKGBFNGH-ZETCQYMHSA-N -1 3 196.250 1.117 10 0 ADAEHM CCc1cc(=O)[n-]c(CCC(C)C)n1 43374131 573671181 /nfs/dbraw/zinc/67/11/81/573671181.db2.gz LFVUYHVZAUZRDB-UHFFFAOYSA-N -1 3 194.278 1.921 10 0 ADAEHM COc1nc2c([O-])cccc2[nH]1 144638129 573671223 /nfs/dbraw/zinc/67/12/23/573671223.db2.gz IVEUVLAHAVTWII-UHFFFAOYSA-N -1 3 164.164 1.277 10 0 ADAEHM CC1CCC([C@H]2NC(=O)[N-]C2=O)CC1 83825752 573671282 /nfs/dbraw/zinc/67/12/82/573671282.db2.gz OFTXNIYTVYXNBX-KAVNDROISA-N -1 3 196.250 1.021 10 0 ADAEHM COc1cc(CN)c(F)c([O-])c1F 258078130 573671846 /nfs/dbraw/zinc/67/18/46/573671846.db2.gz MULMFTBRRTUVGZ-UHFFFAOYSA-N -1 3 189.161 1.138 10 0 ADAEHM CC1(C)CCC[C@H]1N1CC(=O)[N-]C1=O 86878499 573672295 /nfs/dbraw/zinc/67/22/95/573672295.db2.gz YREJNJBKGBFNGH-SSDOTTSWSA-N -1 3 196.250 1.117 10 0 ADAEHM COc1ccc(CC(C)=O)c(F)c1[O-] 258078141 573672354 /nfs/dbraw/zinc/67/23/54/573672354.db2.gz MUQNYPWLXGWHLL-UHFFFAOYSA-N -1 3 198.193 1.671 10 0 ADAEHM C[C@@H]1NCc2ccc(C(=O)[O-])cc21 107928776 573672542 /nfs/dbraw/zinc/67/25/42/573672542.db2.gz CSNFYEDZCHCJAX-LURJTMIESA-N -1 3 177.203 1.549 10 0 ADAEHM COCc1cc(C)cc(C=O)c1[O-] 144626272 573673048 /nfs/dbraw/zinc/67/30/48/573673048.db2.gz APOKCDKHOVMCCB-UHFFFAOYSA-N -1 3 180.203 1.660 10 0 ADAEHM C[C@H](CO)c1cc([O-])c(F)cc1O 258078245 573674106 /nfs/dbraw/zinc/67/41/06/573674106.db2.gz MZCXANUIGDZUII-RXMQYKEDSA-N -1 3 186.182 1.333 10 0 ADAEHM [O-]c1cc(C2(O)CC2)c(O)cc1F 258078193 573674337 /nfs/dbraw/zinc/67/43/37/573674337.db2.gz MXGPPTGYDXEQPS-UHFFFAOYSA-N -1 3 184.166 1.218 10 0 ADAEHM CC1CCC([C@@H]2NC(=O)[N-]C2=O)CC1 83825753 573674348 /nfs/dbraw/zinc/67/43/48/573674348.db2.gz OFTXNIYTVYXNBX-RRQHEKLDSA-N -1 3 196.250 1.021 10 0 ADAEHM C[C@@H](CO)c1cc([O-])c(F)cc1O 258078247 573674557 /nfs/dbraw/zinc/67/45/57/573674557.db2.gz MZCXANUIGDZUII-YFKPBYRVSA-N -1 3 186.182 1.333 10 0 ADAEHM CN(C/C=C/C(=O)[O-])Cc1cc[nH]c1 258867328 573675131 /nfs/dbraw/zinc/67/51/31/573675131.db2.gz HRDKNFJNVYMMMM-NSCUHMNNSA-N -1 3 194.234 1.087 10 0 ADAEHM C[C@H]1NCc2ccc(C(=O)[O-])cc21 107928774 573675237 /nfs/dbraw/zinc/67/52/37/573675237.db2.gz CSNFYEDZCHCJAX-ZCFIWIBFSA-N -1 3 177.203 1.549 10 0 ADAEHM Cc1cc(CNO)cc([O-])c1F 258076891 573676306 /nfs/dbraw/zinc/67/63/06/573676306.db2.gz VEJNYHBKGJSUIP-UHFFFAOYSA-N -1 3 171.171 1.319 10 0 ADAEHM C[C@H](F)c1cc(CNO)ccc1[O-] 258090823 573677403 /nfs/dbraw/zinc/67/74/03/573677403.db2.gz NZFPCIQKNHUOBC-LURJTMIESA-N -1 3 185.198 1.902 10 0 ADAEHM C[C@]1(c2ccccc2)C[N-]C(=S)O1 238468361 573677789 /nfs/dbraw/zinc/67/77/89/573677789.db2.gz BJPZKRKWSGOKEK-SNVBAGLBSA-N -1 3 193.271 1.807 10 0 ADAEHM Nc1c([O-])cc2[nH]ccc2c1F 258080474 573678096 /nfs/dbraw/zinc/67/80/96/573678096.db2.gz VOUDSNXWASHNJK-UHFFFAOYSA-N -1 3 166.155 1.595 10 0 ADAEHM CC(C)Cc1nc2ccc([O-])cn2n1 258080106 573680182 /nfs/dbraw/zinc/68/01/82/573680182.db2.gz WQQGGYWMWVIUNY-UHFFFAOYSA-N -1 3 191.234 1.633 10 0 ADAEHM C[C@@H](F)c1cc(CNO)ccc1[O-] 258090827 573680741 /nfs/dbraw/zinc/68/07/41/573680741.db2.gz NZFPCIQKNHUOBC-ZCFIWIBFSA-N -1 3 185.198 1.902 10 0 ADAEHM N[C@@H](/C=C/c1ccccc1F)C(=O)[O-] 257847179 573681120 /nfs/dbraw/zinc/68/11/20/573681120.db2.gz NVTLGCLOQGBPMC-CYNONHLPSA-N -1 3 195.193 1.251 10 0 ADAEHM CC1(C)Oc2cccc([O-])c2NC1=O 257847205 573684574 /nfs/dbraw/zinc/68/45/74/573684574.db2.gz AMTBYCITKMPMFL-UHFFFAOYSA-N -1 3 193.202 1.502 10 0 ADAEHM C[C@H](N)c1cc([O-])c(F)cc1F 258092384 573684708 /nfs/dbraw/zinc/68/47/08/573684708.db2.gz WXPITTGOBNGUNV-BYPYZUCNSA-N -1 3 173.162 1.690 10 0 ADAEHM C[C@H]1[N-]C(=S)O[C@@H]1c1ccccn1 238470897 573684820 /nfs/dbraw/zinc/68/48/20/573684820.db2.gz RNGZWEOQDHFJNS-SVRRBLITSA-N -1 3 194.259 1.416 10 0 ADAEHM COc1ccc2nc(C(C)=O)nc-2[n-]1 83852440 573684990 /nfs/dbraw/zinc/68/49/90/573684990.db2.gz OIJWHXMYLURLBS-UHFFFAOYSA-N -1 3 191.190 1.169 10 0 ADAEHM COc1ccc2[n-]c(C(C)=O)nc2n1 83852440 573684995 /nfs/dbraw/zinc/68/49/95/573684995.db2.gz OIJWHXMYLURLBS-UHFFFAOYSA-N -1 3 191.190 1.169 10 0 ADAEHM COc1ccc2nc(C(C)=O)[n-]c2n1 83852440 573685001 /nfs/dbraw/zinc/68/50/01/573685001.db2.gz OIJWHXMYLURLBS-UHFFFAOYSA-N -1 3 191.190 1.169 10 0 ADAEHM C[C@@H](N)c1cc([O-])c(F)cc1F 258092395 573687245 /nfs/dbraw/zinc/68/72/45/573687245.db2.gz WXPITTGOBNGUNV-SCSAIBSYSA-N -1 3 173.162 1.690 10 0 ADAEHM C[C@H]1NCc2c(C(=O)[O-])cccc21 238479496 573689771 /nfs/dbraw/zinc/68/97/71/573689771.db2.gz WOJKFPMJXJHFFR-ZCFIWIBFSA-N -1 3 177.203 1.549 10 0 ADAEHM Cc1ccc([C@@H](N)[C@H](F)C(=O)[O-])cc1 238479615 573689966 /nfs/dbraw/zinc/68/99/66/573689966.db2.gz ULLIRHJYRYVMLF-DTWKUNHWSA-N -1 3 197.209 1.418 10 0 ADAEHM Cc1ccc([C@@H](N)[C@@H](F)C(=O)[O-])cc1 238479541 573689987 /nfs/dbraw/zinc/68/99/87/573689987.db2.gz ULLIRHJYRYVMLF-RKDXNWHRSA-N -1 3 197.209 1.418 10 0 ADAEHM COn1cc([O-])c2ccccc21 223246022 573690127 /nfs/dbraw/zinc/69/01/27/573690127.db2.gz BQEQNHCDXOXLCL-UHFFFAOYSA-N -1 3 163.176 1.405 10 0 ADAEHM C[C@@H]1[N-]C(=S)O[C@@H]2CCCC[C@@H]12 238479293 573690159 /nfs/dbraw/zinc/69/01/59/573690159.db2.gz KKEHHKQFEUCHEE-BIIVOSGPSA-N -1 3 185.292 1.838 10 0 ADAEHM NOCCc1ccc([O-])c(Cl)c1 258085570 573690247 /nfs/dbraw/zinc/69/02/47/573690247.db2.gz NMQMPVBHCCIZEB-UHFFFAOYSA-N -1 3 187.626 1.478 10 0 ADAEHM Nc1oncc1-c1ccc(O)cc1[O-] 258093584 573690264 /nfs/dbraw/zinc/69/02/64/573690264.db2.gz OFLHIWLMBMEEEZ-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM C[C@H]1NCc2cccc(C(=O)[O-])c21 238479979 573691546 /nfs/dbraw/zinc/69/15/46/573691546.db2.gz UMJWKAFSCFEGCB-ZCFIWIBFSA-N -1 3 177.203 1.549 10 0 ADAEHM NCc1nc(Cl)c2ccc([O-])cn12 258086477 573693894 /nfs/dbraw/zinc/69/38/94/573693894.db2.gz DFFQWDZFCHKOIB-UHFFFAOYSA-N -1 3 197.625 1.152 10 0 ADAEHM Cc1ncc(N)c(C(F)F)c1[O-] 238481027 573694272 /nfs/dbraw/zinc/69/42/72/573694272.db2.gz OINCBGPBXGCGRX-UHFFFAOYSA-N -1 3 174.150 1.615 10 0 ADAEHM Cc1cc([O-])cc2oc(=O)cc(N)c12 238481435 573695200 /nfs/dbraw/zinc/69/52/00/573695200.db2.gz UZOLANRAGDXFTP-UHFFFAOYSA-N -1 3 191.186 1.389 10 0 ADAEHM NOCCc1c([O-])ccc(F)c1F 258088155 573695574 /nfs/dbraw/zinc/69/55/74/573695574.db2.gz NUMUDZXNGCIVSH-UHFFFAOYSA-N -1 3 189.161 1.103 10 0 ADAEHM C[C@H]1N[C@@H](CC(=O)[O-])C(C)(C)S1 238481241 573695775 /nfs/dbraw/zinc/69/57/75/573695775.db2.gz KGPACEMKKNYZRY-WDSKDSINSA-N -1 3 189.280 1.291 10 0 ADAEHM Cc1ncc([N-]C(=O)C(F)(F)F)o1 238482788 573699856 /nfs/dbraw/zinc/69/98/56/573699856.db2.gz CAIXABFYIFUTPB-UHFFFAOYSA-N -1 3 194.112 1.484 10 0 ADAEHM O=C([O-])CCc1cccc2c1CNC2 257848951 573699915 /nfs/dbraw/zinc/69/99/15/573699915.db2.gz OGCQWCPKOFHELF-UHFFFAOYSA-N -1 3 191.230 1.307 10 0 ADAEHM Cc1cc2c(cc1[O-])C(=O)OC2 238482216 573700045 /nfs/dbraw/zinc/70/00/45/573700045.db2.gz JEVAPUCOTJCTIP-UHFFFAOYSA-N -1 3 164.160 1.371 10 0 ADAEHM Cc1ncc([O-])c(C(F)F)c1CO 238483279 573700438 /nfs/dbraw/zinc/70/04/38/573700438.db2.gz WNYZPYVNAKPLPX-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM [O-]c1cc(CCO)c(F)cc1F 258099816 573700562 /nfs/dbraw/zinc/70/05/62/573700562.db2.gz XQSJSRQBTMYPRD-UHFFFAOYSA-N -1 3 174.146 1.205 10 0 ADAEHM C[C@@](F)(c1ccccc1)[C@H](N)C(=O)[O-] 238483340 573700645 /nfs/dbraw/zinc/70/06/45/573700645.db2.gz ZGLZJRYDTCHBNC-PSASIEDQSA-N -1 3 197.209 1.283 10 0 ADAEHM C[C@H]1N[C@H](CC(=O)[O-])C(C)(C)S1 238482820 573701018 /nfs/dbraw/zinc/70/10/18/573701018.db2.gz KGPACEMKKNYZRY-NTSWFWBYSA-N -1 3 189.280 1.291 10 0 ADAEHM C/C=C/C=C/C(=O)[N-]C(F)(F)F 237999643 573701029 /nfs/dbraw/zinc/70/10/29/573701029.db2.gz SNOAMOZMNVOBGV-MQQKCMAXSA-N -1 3 179.141 1.755 10 0 ADAEHM C[C@H]1Cc2cc([O-])ccc2C(=O)O1 238482308 573701193 /nfs/dbraw/zinc/70/11/93/573701193.db2.gz GSASJOWNCIINEK-LURJTMIESA-N -1 3 178.187 1.494 10 0 ADAEHM Cc1ncc([O-])c(C(F)F)c1CN 238483256 573701967 /nfs/dbraw/zinc/70/19/67/573701967.db2.gz AHTAZHOOCTVPQS-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM Cc1ncc([O-])c(C(F)F)c1N 238483354 573701984 /nfs/dbraw/zinc/70/19/84/573701984.db2.gz QAJVLLXVDZLUPY-UHFFFAOYSA-N -1 3 174.150 1.615 10 0 ADAEHM C[C@@](F)(c1ccccc1)[C@@H](N)C(=O)[O-] 238483294 573702110 /nfs/dbraw/zinc/70/21/10/573702110.db2.gz ZGLZJRYDTCHBNC-WCBMZHEXSA-N -1 3 197.209 1.283 10 0 ADAEHM C[C@@H](c1cc(C(=O)[O-])n(C)c1)N(C)C 257848950 573702147 /nfs/dbraw/zinc/70/21/47/573702147.db2.gz OFYSKUZRAUKZLH-ZETCQYMHSA-N -1 3 196.250 1.346 10 0 ADAEHM Cc1ncc(O)c(C(F)F)c1[O-] 238483392 573703348 /nfs/dbraw/zinc/70/33/48/573703348.db2.gz ZMDBCTMTLOOTIF-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM O=c1[nH]ccn1-c1ccccc1[O-] 108265860 573707952 /nfs/dbraw/zinc/70/79/52/573707952.db2.gz RGJGZAJBWOCWKO-UHFFFAOYSA-N -1 3 176.175 1.284 10 0 ADAEHM CN1CCC[C@H]1/C=C\CC(=O)[O-] 258100228 573708010 /nfs/dbraw/zinc/70/80/10/573708010.db2.gz HAVSUSLTFWCHAN-DLRBJTRDSA-N -1 3 169.224 1.112 10 0 ADAEHM CN1CCC[C@@H]1/C=C\CC(=O)[O-] 258100231 573707727 /nfs/dbraw/zinc/70/77/27/573707727.db2.gz HAVSUSLTFWCHAN-LTMVXPGCSA-N -1 3 169.224 1.112 10 0 ADAEHM Cc1ccc(C(C)C)c([O-])c1C(N)=O 75847633 573708589 /nfs/dbraw/zinc/70/85/89/573708589.db2.gz CDXLCTUKIHZMMX-UHFFFAOYSA-N -1 3 193.246 1.923 10 0 ADAEHM C[C@H](O)c1ccc([O-])c(F)c1 75853303 573708707 /nfs/dbraw/zinc/70/87/07/573708707.db2.gz HXGFGGQHVBUIFM-YFKPBYRVSA-N -1 3 156.156 1.585 10 0 ADAEHM NOCc1cc2c([O-])cccc2o1 258100780 573708778 /nfs/dbraw/zinc/70/87/78/573708778.db2.gz IOWNASLJTOXREF-UHFFFAOYSA-N -1 3 179.175 1.529 10 0 ADAEHM C[C@@H](O)c1ccc([O-])c(F)c1 75853304 573708830 /nfs/dbraw/zinc/70/88/30/573708830.db2.gz HXGFGGQHVBUIFM-RXMQYKEDSA-N -1 3 156.156 1.585 10 0 ADAEHM COC(=O)c1nc2ccccc2n1[O-] 75852295 573709013 /nfs/dbraw/zinc/70/90/13/573709013.db2.gz SACHYPYBQRGWES-UHFFFAOYSA-N -1 3 192.174 1.060 10 0 ADAEHM C[P@](=O)([O-])CNCc1ccccc1 238491131 573709244 /nfs/dbraw/zinc/70/92/44/573709244.db2.gz PQYMHRZWMYTBAA-UHFFFAOYSA-N -1 3 199.190 1.634 10 0 ADAEHM Cc1cnc2c(O)ccc([O-])c2c1 238490711 573710002 /nfs/dbraw/zinc/71/00/02/573710002.db2.gz CBEMHSNCDUSQMY-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM CCn1[n-]c(=O)c2ccc(OC)cc21 257850566 573710163 /nfs/dbraw/zinc/71/01/63/573710163.db2.gz OVTGMEFWMRMTFJ-UHFFFAOYSA-N -1 3 192.218 1.358 10 0 ADAEHM Cn1c(C(=O)[O-])cc2cnccc21 108265892 573710375 /nfs/dbraw/zinc/71/03/75/573710375.db2.gz JUOQNWYLIVOOFY-UHFFFAOYSA-N -1 3 176.175 1.272 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)SC[C@H](C)C2 238491193 573710421 /nfs/dbraw/zinc/71/04/21/573710421.db2.gz JNSRHRIKBNIXJU-RXMQYKEDSA-N -1 3 196.275 1.363 10 0 ADAEHM COc1cc([O-])c(F)c([C@H](C)O)c1 258101125 573712731 /nfs/dbraw/zinc/71/27/31/573712731.db2.gz OWIHPRUEDNYIJW-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM COc1ccc(C(C)=O)c(F)c1[O-] 258101079 573713044 /nfs/dbraw/zinc/71/30/44/573713044.db2.gz OVMZBEFIFWRJIP-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM O=C([O-])[C@@H]1CN[C@@H]1c1ccccc1F 257854222 573715583 /nfs/dbraw/zinc/71/55/83/573715583.db2.gz PPUACBOOWLVOJA-VXNVDRBHSA-N -1 3 195.193 1.171 10 0 ADAEHM COc1cc(C=O)c([C@H](C)N)cc1[O-] 258098375 573715699 /nfs/dbraw/zinc/71/56/99/573715699.db2.gz OMLYOZLRGYUTOY-LURJTMIESA-N -1 3 195.218 1.233 10 0 ADAEHM Cc1nc(C(F)F)c(CO)cc1[O-] 238493054 573715932 /nfs/dbraw/zinc/71/59/32/573715932.db2.gz XCJWZIFMMAXFGK-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM CNC(=S)c1ccccc1[O-] 75856507 573716496 /nfs/dbraw/zinc/71/64/96/573716496.db2.gz AXVULQULPXEMMY-UHFFFAOYSA-N -1 3 167.233 1.287 10 0 ADAEHM Cc1cc(=O)c2c([O-])cccc2[nH]1 238493721 573716526 /nfs/dbraw/zinc/71/65/26/573716526.db2.gz FCZMPUNOODAUIT-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM C=CC(=O)[N-]C(=O)OC1CCCC1 238038691 573716680 /nfs/dbraw/zinc/71/66/80/573716680.db2.gz BWXMYKOZODOQOH-UHFFFAOYSA-N -1 3 183.207 1.368 10 0 ADAEHM NCc1cnc(-c2ccccc2[O-])o1 108268089 573716804 /nfs/dbraw/zinc/71/68/04/573716804.db2.gz TVFDOWARIMADCG-UHFFFAOYSA-N -1 3 190.202 1.506 10 0 ADAEHM COc1cc(C=O)c([C@@H](C)N)cc1[O-] 258098377 573716844 /nfs/dbraw/zinc/71/68/44/573716844.db2.gz OMLYOZLRGYUTOY-ZCFIWIBFSA-N -1 3 195.218 1.233 10 0 ADAEHM Cc1cc(O)c2ncc(O)n2c1 238494352 573717051 /nfs/dbraw/zinc/71/70/51/573717051.db2.gz RLKIDKLYFBIIOR-UHFFFAOYSA-N -1 3 164.164 1.054 10 0 ADAEHM [O-]c1ccc(CCO)c(F)c1 75856856 573717053 /nfs/dbraw/zinc/71/70/53/573717053.db2.gz LZPDMBMKDGLDMO-UHFFFAOYSA-N -1 3 156.156 1.066 10 0 ADAEHM CC1=CN2C(=O)CN=C2C([O-])=C1 238494352 573717058 /nfs/dbraw/zinc/71/70/58/573717058.db2.gz RLKIDKLYFBIIOR-UHFFFAOYSA-N -1 3 164.164 1.054 10 0 ADAEHM O=C([O-])[C@H]1CN[C@H]1c1ccccc1F 257854217 573717266 /nfs/dbraw/zinc/71/72/66/573717266.db2.gz PPUACBOOWLVOJA-CBAPKCEASA-N -1 3 195.193 1.171 10 0 ADAEHM O=C([O-])[C@H]1CN[C@@H]1c1ccccc1F 257854219 573717365 /nfs/dbraw/zinc/71/73/65/573717365.db2.gz PPUACBOOWLVOJA-IONNQARKSA-N -1 3 195.193 1.171 10 0 ADAEHM C[C@@H](O)Cc1c([O-])ccc(F)c1F 258098350 573718223 /nfs/dbraw/zinc/71/82/23/573718223.db2.gz OLWZKSLWJCPHNC-RXMQYKEDSA-N -1 3 188.173 1.594 10 0 ADAEHM Nc1n[nH]cc1-c1ccc([O-])c(F)c1 258098414 573717902 /nfs/dbraw/zinc/71/79/02/573717902.db2.gz ONCFMOJWZQVBND-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM CC(C)(CO)c1ccc([O-])cc1F 257856074 573718372 /nfs/dbraw/zinc/71/83/72/573718372.db2.gz TXYSZCHGACHSJB-UHFFFAOYSA-N -1 3 184.210 1.801 10 0 ADAEHM C[C@H](O)Cc1c([O-])ccc(F)c1F 258098353 573718480 /nfs/dbraw/zinc/71/84/80/573718480.db2.gz OLWZKSLWJCPHNC-YFKPBYRVSA-N -1 3 188.173 1.594 10 0 ADAEHM CCn1[n-]c2c(C=O)cccc2c1=O 257856895 573718780 /nfs/dbraw/zinc/71/87/80/573718780.db2.gz QDHUYUSABOFZLF-UHFFFAOYSA-N -1 3 190.202 1.162 10 0 ADAEHM O=C([O-])c1cnoc1CNC1CCC1 257856597 573719750 /nfs/dbraw/zinc/71/97/50/573719750.db2.gz AUPIJNVOBZQIOO-UHFFFAOYSA-N -1 3 196.206 1.015 10 0 ADAEHM Cc1c([O-])c(C=O)cc2c1OCC=C2 223290096 573719799 /nfs/dbraw/zinc/71/97/99/573719799.db2.gz WGQCVYINQZGMGM-UHFFFAOYSA-N -1 3 190.198 1.919 10 0 ADAEHM O=c1ccnc(CCC(F)(F)F)[n-]1 86979270 573720599 /nfs/dbraw/zinc/72/05/99/573720599.db2.gz OMDLKJYZMDSMII-UHFFFAOYSA-N -1 3 192.140 1.265 10 0 ADAEHM NC1(C(=O)c2cccc([O-])c2)CCC1 257856809 573722031 /nfs/dbraw/zinc/72/20/31/573722031.db2.gz QAYNQQRRWQQCDN-UHFFFAOYSA-N -1 3 191.230 1.456 10 0 ADAEHM O=C([O-])CCc1ccc2c(c1)CNC2 257855976 573722178 /nfs/dbraw/zinc/72/21/78/573722178.db2.gz QAICJWHPYVLHSV-UHFFFAOYSA-N -1 3 191.230 1.307 10 0 ADAEHM CCc1[n-]n(C(C)C)c(=O)c1CN 258104343 573722260 /nfs/dbraw/zinc/72/22/60/573722260.db2.gz YJUVFHGVWJJBFI-UHFFFAOYSA-N -1 3 183.255 1.191 10 0 ADAEHM COCCc1ncc2cc([O-])ccn12 258104626 573722420 /nfs/dbraw/zinc/72/24/20/573722420.db2.gz FXAYLUAAYFYKSS-UHFFFAOYSA-N -1 3 192.218 1.229 10 0 ADAEHM O=C1Cc2cc([O-])c(F)cc2N1 257856613 573722893 /nfs/dbraw/zinc/72/28/93/573722893.db2.gz AUWYNBJTABHLQI-UHFFFAOYSA-N -1 3 167.139 1.026 10 0 ADAEHM CC(=O)C(=C(C)[O-])c1ccoc1 238047065 573724294 /nfs/dbraw/zinc/72/42/94/573724294.db2.gz ADOBAZJNDVHVDC-UHFFFAOYSA-N -1 3 166.176 1.541 10 0 ADAEHM CC(C)c1ncncc1[O-] 143014065 573724630 /nfs/dbraw/zinc/72/46/30/573724630.db2.gz GSXIWHSIKIKOIB-UHFFFAOYSA-N -1 3 138.170 1.306 10 0 ADAEHM Cc1nc(C(F)F)c([O-])cc1N 238496021 573724790 /nfs/dbraw/zinc/72/47/90/573724790.db2.gz HBWFOXXKNXPDPH-UHFFFAOYSA-N -1 3 174.150 1.615 10 0 ADAEHM Nc1nc(-c2ccc([O-])cc2)no1 83967789 573727648 /nfs/dbraw/zinc/72/76/48/573727648.db2.gz ZJOHVNFIMLZUPZ-UHFFFAOYSA-N -1 3 177.163 1.024 10 0 ADAEHM C[C@@H]1Cc2cccc([O-])c2C1=O 144815942 573727192 /nfs/dbraw/zinc/72/71/92/573727192.db2.gz WRDXZYNAEMBLAK-ZCFIWIBFSA-N -1 3 162.188 1.767 10 0 ADAEHM C[C@H]1Cc2cccc([O-])c2C1=O 144816142 573727535 /nfs/dbraw/zinc/72/75/35/573727535.db2.gz WRDXZYNAEMBLAK-LURJTMIESA-N -1 3 162.188 1.767 10 0 ADAEHM CN(C/C=C/C(=O)[O-])c1ccncc1 258893698 573729097 /nfs/dbraw/zinc/72/90/97/573729097.db2.gz KJJWGOSUMHQDSH-NSCUHMNNSA-N -1 3 192.218 1.159 10 0 ADAEHM CONCc1cc(C)c([O-])cc1F 258106218 573729295 /nfs/dbraw/zinc/72/92/95/573729295.db2.gz PDAJHTZFUDTDNM-UHFFFAOYSA-N -1 3 185.198 1.491 10 0 ADAEHM CN[C@H](C)c1ncc2cc([O-])ccn12 258417423 573729307 /nfs/dbraw/zinc/72/93/07/573729307.db2.gz CIWGOIXRZZGGCO-SSDOTTSWSA-N -1 3 191.234 1.320 10 0 ADAEHM O=Cc1c([O-])ccc2c1COC2 108285218 573729582 /nfs/dbraw/zinc/72/95/82/573729582.db2.gz CQEBXFGTAKDGLI-UHFFFAOYSA-N -1 3 164.160 1.235 10 0 ADAEHM [O-]c1c(F)cc(F)cc1CCO 258112009 573733162 /nfs/dbraw/zinc/73/31/62/573733162.db2.gz YZTDQHBZORHERE-UHFFFAOYSA-N -1 3 174.146 1.205 10 0 ADAEHM COc1ccccc1-c1c[n-][nH]c1=O 258895184 573733215 /nfs/dbraw/zinc/73/32/15/573733215.db2.gz UNXNVYMCWZLKBI-UHFFFAOYSA-N -1 3 190.202 1.791 10 0 ADAEHM Nc1c(F)cc2[nH]ccc2c1[O-] 258109550 573733446 /nfs/dbraw/zinc/73/34/46/573733446.db2.gz YTFBJYHNQOCPON-UHFFFAOYSA-N -1 3 166.155 1.595 10 0 ADAEHM Cc1cc([C@H](C)O)cc([O-])c1F 258109805 573733546 /nfs/dbraw/zinc/73/35/46/573733546.db2.gz YYJLGAACBNAXRI-LURJTMIESA-N -1 3 170.183 1.893 10 0 ADAEHM COCc1ccc(CO)cc1[O-] 258109666 573733556 /nfs/dbraw/zinc/73/35/56/573733556.db2.gz YVJFECVGEJKUDN-UHFFFAOYSA-N -1 3 168.192 1.031 10 0 ADAEHM COc1cc(CNO)c(F)cc1[O-] 258110796 573733590 /nfs/dbraw/zinc/73/35/90/573733590.db2.gz PNRUNIDAIHGVEH-UHFFFAOYSA-N -1 3 187.170 1.019 10 0 ADAEHM C[C@H]1COc2cc([O-])c(C=O)cc21 238489178 573733719 /nfs/dbraw/zinc/73/37/19/573733719.db2.gz WUSANDAGIDUVFY-LURJTMIESA-N -1 3 178.187 1.701 10 0 ADAEHM [O-]c1ccc(Cl)c(CNO)c1 258109587 573733744 /nfs/dbraw/zinc/73/37/44/573733744.db2.gz YTRMNEZMKORSEF-UHFFFAOYSA-N -1 3 173.599 1.524 10 0 ADAEHM C/C=C\CNc1cc(=O)[n-]c(C)n1 394988588 573734434 /nfs/dbraw/zinc/73/44/34/573734434.db2.gz BLUBHZSIVZHECK-ARJAWSKDSA-N -1 3 179.223 1.479 10 0 ADAEHM CC[N-]C(=S)OC(C)(C)C 223385954 573734654 /nfs/dbraw/zinc/73/46/54/573734654.db2.gz FSXLLOCOHOLHHV-UHFFFAOYSA-N -1 3 161.270 1.696 10 0 ADAEHM COc1c(CCO)ccc([O-])c1F 258113362 573735909 /nfs/dbraw/zinc/73/59/09/573735909.db2.gz PUQGLFUEGGHSGE-UHFFFAOYSA-N -1 3 186.182 1.075 10 0 ADAEHM CCOC(=O)[C@H](F)c1ccccc1[O-] 257858485 573736832 /nfs/dbraw/zinc/73/68/32/573736832.db2.gz QKYAMOPFJYOUQW-SECBINFHSA-N -1 3 198.193 1.966 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccccc1C1CC1 87015116 573737176 /nfs/dbraw/zinc/73/71/76/573737176.db2.gz FUEJHHBQPASIRU-SNVBAGLBSA-N -1 3 191.230 1.648 10 0 ADAEHM N[C@H](c1ccccc1)[C@H](F)C(=O)[O-] 143201888 573737458 /nfs/dbraw/zinc/73/74/58/573737458.db2.gz LWGILYFFIDKASG-JGVFFNPUSA-N -1 3 183.182 1.109 10 0 ADAEHM N[C@H](C(=O)[O-])c1cccc(C2CC2)c1 87012291 573737660 /nfs/dbraw/zinc/73/76/60/573737660.db2.gz LNVMANAUABMGQJ-JTQLQIEISA-N -1 3 191.230 1.648 10 0 ADAEHM Cc1csc([N-]c2cnccn2)n1 238502490 573738066 /nfs/dbraw/zinc/73/80/66/573738066.db2.gz IDMJYLKFOQZQCO-UHFFFAOYSA-N -1 3 192.247 1.985 10 0 ADAEHM N[C@@H](c1ccccc1)[C@@H](F)C(=O)[O-] 143201680 573738092 /nfs/dbraw/zinc/73/80/92/573738092.db2.gz LWGILYFFIDKASG-SFYZADRCSA-N -1 3 183.182 1.109 10 0 ADAEHM Cc1nc2nc(Cl)nc-2[n-]c1C 108295365 573739899 /nfs/dbraw/zinc/73/98/99/573739899.db2.gz CRGRNYIHRUOIFK-UHFFFAOYSA-N -1 3 182.614 1.623 10 0 ADAEHM Cc1nc2nc(Cl)[n-]c2nc1C 108295365 573739904 /nfs/dbraw/zinc/73/99/04/573739904.db2.gz CRGRNYIHRUOIFK-UHFFFAOYSA-N -1 3 182.614 1.623 10 0 ADAEHM Cc1cc(=S)n(-c2nccs2)[n-]1 124987821 573739994 /nfs/dbraw/zinc/73/99/94/573739994.db2.gz FBBXBPZFWOIYSK-UHFFFAOYSA-N -1 3 197.288 1.926 10 0 ADAEHM Cc1ncc(C2CC2)c(=O)[n-]1 258420299 573740153 /nfs/dbraw/zinc/74/01/53/573740153.db2.gz CSAOCQSBRJLPOZ-UHFFFAOYSA-N -1 3 150.181 1.368 10 0 ADAEHM C/C(=C\C(=O)[O-])CNCc1ccco1 308430775 573740616 /nfs/dbraw/zinc/74/06/16/573740616.db2.gz DUZRQLAFZDPUSQ-VMPITWQZSA-N -1 3 195.218 1.400 10 0 ADAEHM N[C@@H](C(=O)[O-])c1cccc(C2CC2)c1 87012293 573740617 /nfs/dbraw/zinc/74/06/17/573740617.db2.gz LNVMANAUABMGQJ-SNVBAGLBSA-N -1 3 191.230 1.648 10 0 ADAEHM CCO[N-]C(=O)CC1CC(C)(C)C1 308427722 573741431 /nfs/dbraw/zinc/74/14/31/573741431.db2.gz YBMBQAGYVZVIRS-UHFFFAOYSA-N -1 3 185.267 1.880 10 0 ADAEHM Cc1csc2[n-]c(=O)nc(N)c12 108293679 573741471 /nfs/dbraw/zinc/74/14/71/573741471.db2.gz OWOIVJYKGXHQGQ-UHFFFAOYSA-N -1 3 181.220 1.288 10 0 ADAEHM Cc1nc2ccc([O-])c(N)c2o1 238502317 573742423 /nfs/dbraw/zinc/74/24/23/573742423.db2.gz PGLWGTQWSUHXPH-UHFFFAOYSA-N -1 3 164.164 1.424 10 0 ADAEHM Cc1nc2ccc(N)c([O-])c2s1 238501563 573744028 /nfs/dbraw/zinc/74/40/28/573744028.db2.gz QYEHJOMJOZEQOL-UHFFFAOYSA-N -1 3 180.232 1.893 10 0 ADAEHM C[C@@H]1CN(c2ccccc2[O-])C(=O)O1 257873450 573749136 /nfs/dbraw/zinc/74/91/36/573749136.db2.gz UAFRLIWMJMZCGC-SSDOTTSWSA-N -1 3 193.202 1.737 10 0 ADAEHM Cc1noc([N-][C@]2(C)CCO[C@@H]2C)n1 235644982 573753124 /nfs/dbraw/zinc/75/31/24/573753124.db2.gz SHKMDBDPQMUUNN-HZGVNTEJSA-N -1 3 197.238 1.357 10 0 ADAEHM C/C=C/c1c(CO)cnc(C)c1[O-] 238067692 573751704 /nfs/dbraw/zinc/75/17/04/573751704.db2.gz MCWAAJSQGMDEHP-ONEGZZNKSA-N -1 3 179.219 1.621 10 0 ADAEHM Cc1cc([O-])c(Cl)cc1CCO 258116181 573752015 /nfs/dbraw/zinc/75/20/15/573752015.db2.gz QEKMCACXODVRQZ-UHFFFAOYSA-N -1 3 186.638 1.889 10 0 ADAEHM Cc1ccc(CNO)c(Cl)c1[O-] 258116247 573752563 /nfs/dbraw/zinc/75/25/63/573752563.db2.gz QFRCINKWNXXVRM-UHFFFAOYSA-N -1 3 187.626 1.833 10 0 ADAEHM CCc1cc(F)c([O-])c(CCO)c1 258121175 573757900 /nfs/dbraw/zinc/75/79/00/573757900.db2.gz QPCRMHOEDZLXBC-UHFFFAOYSA-N -1 3 184.210 1.629 10 0 ADAEHM C[C@H]1OCc2c([O-])cccc2[C@H]1O 238505097 573757990 /nfs/dbraw/zinc/75/79/90/573757990.db2.gz BFAPKXQOLRZYTB-LDWIPMOCSA-N -1 3 180.203 1.344 10 0 ADAEHM O=Cc1c(F)c([O-])cc(O)c1F 258120000 573758093 /nfs/dbraw/zinc/75/80/93/573758093.db2.gz ZUPKZJLLDGQYJY-UHFFFAOYSA-N -1 3 174.102 1.189 10 0 ADAEHM CC[C@H](CC(=O)[O-])Nc1ccncc1 127057153 573758331 /nfs/dbraw/zinc/75/83/31/573758331.db2.gz SCVZEHZVMVEPPP-MRVPVSSYSA-N -1 3 194.234 1.747 10 0 ADAEHM [O-]c1ccccc1C(F)(F)CCO 257866461 573758657 /nfs/dbraw/zinc/75/86/57/573758657.db2.gz SAPXIFUXSBIRRP-UHFFFAOYSA-N -1 3 188.173 1.866 10 0 ADAEHM Cc1cc2c(=S)[n-]cnc2[nH]1 238505512 573759507 /nfs/dbraw/zinc/75/95/07/573759507.db2.gz BPVMIIVBUSGQHP-UHFFFAOYSA-N -1 3 165.221 1.555 10 0 ADAEHM NOCc1ccc2sccc2c1[O-] 258121277 573761389 /nfs/dbraw/zinc/76/13/89/573761389.db2.gz QSTDWFVZTAECMS-UHFFFAOYSA-N -1 3 195.243 1.997 10 0 ADAEHM CN1C(=O)Cc2cc([O-])c(F)cc21 257868524 573761453 /nfs/dbraw/zinc/76/14/53/573761453.db2.gz DRUNUOBVUACYEQ-UHFFFAOYSA-N -1 3 181.166 1.050 10 0 ADAEHM [O-]c1ccc([C@@H](F)CO)c(F)c1 257869171 573761994 /nfs/dbraw/zinc/76/19/94/573761994.db2.gz XWTYBULWWVYYMR-QMMMGPOBSA-N -1 3 174.146 1.534 10 0 ADAEHM O=c1[n-][nH]c(=S)n1[C@@H]1CC=CCC1 84080606 573762158 /nfs/dbraw/zinc/76/21/58/573762158.db2.gz OHFQPCMVZYOTPM-ZCFIWIBFSA-N -1 3 197.263 1.515 10 0 ADAEHM CC(=O)c1ncc2cccc([O-])c2n1 143469600 573762700 /nfs/dbraw/zinc/76/27/00/573762700.db2.gz UWAVXJGZBNYRBA-UHFFFAOYSA-N -1 3 188.186 1.538 10 0 ADAEHM NC1(c2onc3c([O-])cccc23)CC1 257868986 573763072 /nfs/dbraw/zinc/76/30/72/573763072.db2.gz SOUFOORKYNPNBS-UHFFFAOYSA-N -1 3 190.202 1.481 10 0 ADAEHM CCNc1cncc([O-])c1 122553133 573763486 /nfs/dbraw/zinc/76/34/86/573763486.db2.gz CIWWAHPZYGVING-UHFFFAOYSA-N -1 3 138.170 1.219 10 0 ADAEHM Cc1ccc2nc(=O)[n-]c(CN)c2c1 257870284 573764420 /nfs/dbraw/zinc/76/44/20/573764420.db2.gz SVQXOTYRXXLJAV-UHFFFAOYSA-N -1 3 189.218 1.103 10 0 ADAEHM COc1cc(F)c([O-])cc1C1(O)CC1 258123749 573764615 /nfs/dbraw/zinc/76/46/15/573764615.db2.gz QTLYROWRMCRKBW-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM [O-]c1ccc(C(F)(F)CO)c(F)c1 257869166 573764835 /nfs/dbraw/zinc/76/48/35/573764835.db2.gz XWBZTMIIJPOYIY-UHFFFAOYSA-N -1 3 192.136 1.615 10 0 ADAEHM C[C@@](F)(CO)c1ccc([O-])cc1F 257869055 573764906 /nfs/dbraw/zinc/76/49/06/573764906.db2.gz XQZOBBMKSWBVHR-SECBINFHSA-N -1 3 188.173 1.708 10 0 ADAEHM [O-]c1ccc(F)c(F)c1C1(O)CC1 258123799 573765487 /nfs/dbraw/zinc/76/54/87/573765487.db2.gz QUBCICQRQDQNIA-UHFFFAOYSA-N -1 3 186.157 1.652 10 0 ADAEHM Cc1cc2cc([O-])ccc2c(=O)o1 238508419 573765952 /nfs/dbraw/zinc/76/59/52/573765952.db2.gz GGGVSHZTOAYGEX-UHFFFAOYSA-N -1 3 176.171 1.807 10 0 ADAEHM O=c1[n-][nH]c(=S)n1[C@H]1CC=CCC1 84080607 573766110 /nfs/dbraw/zinc/76/61/10/573766110.db2.gz OHFQPCMVZYOTPM-LURJTMIESA-N -1 3 197.263 1.515 10 0 ADAEHM Nc1coc(Oc2ccccc2[O-])n1 257870748 573766315 /nfs/dbraw/zinc/76/63/15/573766315.db2.gz HYBTTZCVQPBTJK-UHFFFAOYSA-N -1 3 192.174 1.755 10 0 ADAEHM Cc1c(F)cc2c(c1[O-])C(=O)CC2 238508781 573771191 /nfs/dbraw/zinc/77/11/91/573771191.db2.gz AZKQBQDVNCRRNX-UHFFFAOYSA-N -1 3 180.178 1.969 10 0 ADAEHM COc1cc(F)cc([O-])c1[C@@H](C)O 258126454 573776135 /nfs/dbraw/zinc/77/61/35/573776135.db2.gz RASORKKFJQUJLA-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM O=C([O-])/C=C/CNc1ccncc1 258936544 573775945 /nfs/dbraw/zinc/77/59/45/573775945.db2.gz PCKRQHPZHUDOIM-OWOJBTEDSA-N -1 3 178.191 1.134 10 0 ADAEHM COC(=O)[C@@](C)(F)c1ccccc1[O-] 257877195 573777249 /nfs/dbraw/zinc/77/72/49/573777249.db2.gz USEAEBYNWFDGCD-JTQLQIEISA-N -1 3 198.193 1.750 10 0 ADAEHM NCc1ccc([O-])c(Cl)c1F 108368875 573777717 /nfs/dbraw/zinc/77/77/17/573777717.db2.gz SROOXWIXYTWNQO-UHFFFAOYSA-N -1 3 175.590 1.643 10 0 ADAEHM CN(C)Cc1coc(C(=O)[O-])c1 108367682 573777771 /nfs/dbraw/zinc/77/77/71/573777771.db2.gz BIQDHNFKWAWOLC-UHFFFAOYSA-N -1 3 169.180 1.039 10 0 ADAEHM Cc1ccc2c(=O)cc(Cl)[n-]c2n1 238513221 573777949 /nfs/dbraw/zinc/77/79/49/573777949.db2.gz DRWNHPAGYQLFDT-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM Cc1c(Cl)cccc1[C@@H](N)C(=O)[O-] 76135430 573779219 /nfs/dbraw/zinc/77/92/19/573779219.db2.gz LRGXMEQXHIIPPF-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM CC(=O)CCc1ncccc1[O-] 238107806 573779394 /nfs/dbraw/zinc/77/93/94/573779394.db2.gz ROLZOUIFSXJFJV-UHFFFAOYSA-N -1 3 165.192 1.309 10 0 ADAEHM Nc1cc(-c2cccc(F)c2[O-])[nH]n1 258118653 573779671 /nfs/dbraw/zinc/77/96/71/573779671.db2.gz QJPYPUWHEYCZIX-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM Cc1nc(C)c(F)cc1[O-] 238511977 573780007 /nfs/dbraw/zinc/78/00/07/573780007.db2.gz OYBVFLCIHQWNBR-UHFFFAOYSA-N -1 3 141.145 1.543 10 0 ADAEHM Cc1ccc([C@H](C)CO)c([O-])c1F 258118770 573780349 /nfs/dbraw/zinc/78/03/49/573780349.db2.gz QLHLQGXTKXZLGA-SSDOTTSWSA-N -1 3 184.210 1.936 10 0 ADAEHM O=Cc1cc(F)c2[n-]c(=O)oc2c1 108369597 573780521 /nfs/dbraw/zinc/78/05/21/573780521.db2.gz QJSIJTSZHPOENA-UHFFFAOYSA-N -1 3 181.122 1.073 10 0 ADAEHM [O-]c1ccc2nc(C3CC3)nn2c1 258118041 573780579 /nfs/dbraw/zinc/78/05/79/573780579.db2.gz ZHZISBZNBBDRMN-UHFFFAOYSA-N -1 3 175.191 1.312 10 0 ADAEHM Cc1ccc([C@@H](C)CO)c([O-])c1F 258118774 573780787 /nfs/dbraw/zinc/78/07/87/573780787.db2.gz QLHLQGXTKXZLGA-ZETCQYMHSA-N -1 3 184.210 1.936 10 0 ADAEHM CC(C)(C)c1nc(CN)[n-]c(=O)c1F 108375177 573782882 /nfs/dbraw/zinc/78/28/82/573782882.db2.gz VSSXUDGLQQXSRX-UHFFFAOYSA-N -1 3 199.229 1.078 10 0 ADAEHM N[C@H](c1nc(C(=O)[O-])cs1)C1CC1 84149652 573782736 /nfs/dbraw/zinc/78/27/36/573782736.db2.gz SCZKPSDWRLZWSA-LURJTMIESA-N -1 3 198.247 1.251 10 0 ADAEHM COc1cc(CC(C)=O)c(F)cc1[O-] 108374702 573784564 /nfs/dbraw/zinc/78/45/64/573784564.db2.gz YYZKJDTUQUSVFG-UHFFFAOYSA-N -1 3 198.193 1.671 10 0 ADAEHM Cc1[n-]c(C(F)F)cc(=O)c1C=O 238504241 573785550 /nfs/dbraw/zinc/78/55/50/573785550.db2.gz FPULMTACDFAQAC-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM C[C@H]1O[C@@H]1C(=O)Nc1ccccc1[O-] 238504156 573785717 /nfs/dbraw/zinc/78/57/17/573785717.db2.gz DKRNNYZXQFNOMG-MUWHJKNJSA-N -1 3 193.202 1.118 10 0 ADAEHM CCCn1[n-]c(C)c(C(C)C)c1=O 108373745 573786054 /nfs/dbraw/zinc/78/60/54/573786054.db2.gz GZLVDECTSQQWMV-SECBINFHSA-N -1 3 182.267 1.887 10 0 ADAEHM COc1n[n-]c(-c2ccccc2)n1 87117121 573786059 /nfs/dbraw/zinc/78/60/59/573786059.db2.gz BHOBHTSKYORBJF-UHFFFAOYSA-N -1 3 175.191 1.480 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)C[C@H](C)OC 308434719 573789495 /nfs/dbraw/zinc/78/94/95/573789495.db2.gz VLKDEYGYLPJDPP-YUMQZZPRSA-N -1 3 189.255 1.258 10 0 ADAEHM CC(=O)c1nc(Cl)[n-]c1C 238116757 573789537 /nfs/dbraw/zinc/78/95/37/573789537.db2.gz ADFMKNFQPLYACO-UHFFFAOYSA-N -1 3 158.588 1.574 10 0 ADAEHM CC(=O)c1[n-]c(Cl)nc1C 238116757 573789541 /nfs/dbraw/zinc/78/95/41/573789541.db2.gz ADFMKNFQPLYACO-UHFFFAOYSA-N -1 3 158.588 1.574 10 0 ADAEHM O=C([O-])[C@H]1C[C@@H]1CNc1ccncc1 258944012 573788115 /nfs/dbraw/zinc/78/81/15/573788115.db2.gz TZYIFCKVFSDZIA-APPZFPTMSA-N -1 3 192.218 1.214 10 0 ADAEHM CC(=O)Oc1cc([O-])cc(F)c1 238114029 573788206 /nfs/dbraw/zinc/78/82/06/573788206.db2.gz QZKSTLJNTVJCDS-UHFFFAOYSA-N -1 3 170.139 1.457 10 0 ADAEHM Cc1ccc2c(c1C(=O)[O-])OC[C@@H]2N 238504584 573788241 /nfs/dbraw/zinc/78/82/41/573788241.db2.gz WDTUWMGDNPBFDZ-ZETCQYMHSA-N -1 3 193.202 1.085 10 0 ADAEHM CC(C)C1=C([O-])C(C)(C)NC1=O 100267597 573788290 /nfs/dbraw/zinc/78/82/90/573788290.db2.gz ARBZQWHWZINNEQ-UHFFFAOYSA-N -1 3 169.224 1.363 10 0 ADAEHM O=C([O-])[C@H]1C[C@H]1CNc1ccncc1 258944015 573788414 /nfs/dbraw/zinc/78/84/14/573788414.db2.gz TZYIFCKVFSDZIA-CBAPKCEASA-N -1 3 192.218 1.214 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)C[C@H](C)OC 308434717 573788714 /nfs/dbraw/zinc/78/87/14/573788714.db2.gz VLKDEYGYLPJDPP-SFYZADRCSA-N -1 3 189.255 1.258 10 0 ADAEHM Cc1[n-]c(C(F)F)cc(=O)c1O 238504530 573788940 /nfs/dbraw/zinc/78/89/40/573788940.db2.gz LAYLTCZLZNTQNW-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM O=C([O-])[C@@H]1C[C@@H]1CNc1ccncc1 258944025 573789677 /nfs/dbraw/zinc/78/96/77/573789677.db2.gz TZYIFCKVFSDZIA-VXNVDRBHSA-N -1 3 192.218 1.214 10 0 ADAEHM Cc1[n-]oc(=O)c1CC(C)C 100279127 573789830 /nfs/dbraw/zinc/78/98/30/573789830.db2.gz BAQZDKJXDAFYPB-UHFFFAOYSA-N -1 3 155.197 1.475 10 0 ADAEHM O=C([O-])[C@@H]1C[C@H]1CNc1ccncc1 258944020 573789969 /nfs/dbraw/zinc/78/99/69/573789969.db2.gz TZYIFCKVFSDZIA-IONNQARKSA-N -1 3 192.218 1.214 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)C[C@@H](C)OC 308434715 573790304 /nfs/dbraw/zinc/79/03/04/573790304.db2.gz VLKDEYGYLPJDPP-JGVFFNPUSA-N -1 3 189.255 1.258 10 0 ADAEHM CC(=O)C1=NC(C(C)=O)C([O-])=C1C 238116532 573790754 /nfs/dbraw/zinc/79/07/54/573790754.db2.gz NMUNTTRMRHQRAX-UHFFFAOYSA-N -1 3 181.191 1.434 10 0 ADAEHM CC(=O)c1[nH]c(C(C)=O)c([O-])c1C 238116532 573790765 /nfs/dbraw/zinc/79/07/65/573790765.db2.gz NMUNTTRMRHQRAX-UHFFFAOYSA-N -1 3 181.191 1.434 10 0 ADAEHM CCC1=C(C)C(=C[O-])NC1=O 100284582 573790766 /nfs/dbraw/zinc/79/07/66/573790766.db2.gz CXVZZKZMHBGEIP-QPJJXVBHSA-N -1 3 153.181 1.242 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)C[C@@H](C)OC 308434714 573791239 /nfs/dbraw/zinc/79/12/39/573791239.db2.gz VLKDEYGYLPJDPP-HTQZYQBOSA-N -1 3 189.255 1.258 10 0 ADAEHM COC(=O)C=C([O-])C(F)(F)F 100294372 573791592 /nfs/dbraw/zinc/79/15/92/573791592.db2.gz FPKPXWNDKNKZPT-NSCUHMNNSA-N -1 3 170.086 1.164 10 0 ADAEHM NCc1nc(Cl)c2cc([O-])ccn12 258430668 573791784 /nfs/dbraw/zinc/79/17/84/573791784.db2.gz DKBNYEKZXCGFJK-UHFFFAOYSA-N -1 3 197.625 1.152 10 0 ADAEHM CC(=O)c1c(C)cnc(C)c1[O-] 238119631 573791983 /nfs/dbraw/zinc/79/19/83/573791983.db2.gz XPDBRGYZBUOLNJ-UHFFFAOYSA-N -1 3 165.192 1.607 10 0 ADAEHM Cc1ccc2c(CO)ccc([O-])c2n1 238520389 573793013 /nfs/dbraw/zinc/79/30/13/573793013.db2.gz UCXHXYHBXCDBOK-UHFFFAOYSA-N -1 3 189.214 1.741 10 0 ADAEHM Cc1cc(=N)c2ccc([O-])cc2o1 238520939 573793175 /nfs/dbraw/zinc/79/31/75/573793175.db2.gz LEAWPELWWZBBAW-UHFFFAOYSA-N -1 3 175.187 1.926 10 0 ADAEHM CCN1CCC(=C/C=C\C(=O)[O-])CC1 308442544 573796513 /nfs/dbraw/zinc/79/65/13/573796513.db2.gz DDHCHRWUKIRQMH-HYXAFXHYSA-N -1 3 195.262 1.669 10 0 ADAEHM Cc1cc(C(F)F)[nH]c(=O)c1[O-] 238520511 573796887 /nfs/dbraw/zinc/79/68/87/573796887.db2.gz JLTANXSMRXDQGK-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM Cc1ncc2c(c1[O-])C(=O)CC2 238520118 573797086 /nfs/dbraw/zinc/79/70/86/573797086.db2.gz QRURMIKXBQLRBX-UHFFFAOYSA-N -1 3 163.176 1.225 10 0 ADAEHM CSc1c([O-])cccc1C(=O)CN 258128802 573797335 /nfs/dbraw/zinc/79/73/35/573797335.db2.gz RIGUFBZZKASOGC-UHFFFAOYSA-N -1 3 197.259 1.256 10 0 ADAEHM C[C@@](N)(c1cccs1)[P@@H](=O)[O-] 238520403 573797348 /nfs/dbraw/zinc/79/73/48/573797348.db2.gz ZWGDRGSBNMKFJX-LURJTMIESA-N -1 3 191.192 1.347 10 0 ADAEHM C[C@@](N)(c1cccs1)[P@H](=O)[O-] 238520403 573797355 /nfs/dbraw/zinc/79/73/55/573797355.db2.gz ZWGDRGSBNMKFJX-LURJTMIESA-N -1 3 191.192 1.347 10 0 ADAEHM O=Cc1cc2ccc([O-])cc2[nH]c1=O 108584259 573797713 /nfs/dbraw/zinc/79/77/13/573797713.db2.gz RDPMQDXXPTYWBQ-UHFFFAOYSA-N -1 3 189.170 1.046 10 0 ADAEHM CC(C)(C)C(=O)[N-]C(F)(F)F 238124771 573797728 /nfs/dbraw/zinc/79/77/28/573797728.db2.gz CYQCXSOKZJECBY-UHFFFAOYSA-N -1 3 169.146 1.669 10 0 ADAEHM Cc1cc(C(F)F)nc(C=O)c1[O-] 238514970 573798295 /nfs/dbraw/zinc/79/82/95/573798295.db2.gz KSUJQCGRVZTELL-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM Cc1cc2c[nH]nc2c([O-])c1C 238514349 573798369 /nfs/dbraw/zinc/79/83/69/573798369.db2.gz NZYDTLQNLJGSMS-UHFFFAOYSA-N -1 3 162.192 1.885 10 0 ADAEHM S=C1[N-]C[C@H](C2CCCC2)O1 214963226 573800468 /nfs/dbraw/zinc/80/04/68/573800468.db2.gz YRUFNWHYAYJTRC-SSDOTTSWSA-N -1 3 171.265 1.450 10 0 ADAEHM S=C1[N-]C[C@@H](C2CCCC2)O1 214963179 573801863 /nfs/dbraw/zinc/80/18/63/573801863.db2.gz YRUFNWHYAYJTRC-ZETCQYMHSA-N -1 3 171.265 1.450 10 0 ADAEHM CC(C)(C)c1cc2ncc([O-])cn2n1 258131855 573805482 /nfs/dbraw/zinc/80/54/82/573805482.db2.gz GKMUQTFMAMENRS-UHFFFAOYSA-N -1 3 191.234 1.732 10 0 ADAEHM Nc1c2[n-]c(Cl)cnc-2ccc1=O 259570727 573805770 /nfs/dbraw/zinc/80/57/70/573805770.db2.gz XSDLZUKDDIABBR-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 ADAEHM CC(C)(O)c1cc([O-])c(F)cc1O 258138522 573808435 /nfs/dbraw/zinc/80/84/35/573808435.db2.gz SDPFOCFDHCXDJX-UHFFFAOYSA-N -1 3 186.182 1.464 10 0 ADAEHM CN[C@H](c1ccc(C)o1)[C@H](C)C(=O)[O-] 259196003 573808482 /nfs/dbraw/zinc/80/84/82/573808482.db2.gz FDSJVRWYGOLXFO-CBAPKCEASA-N -1 3 197.234 1.569 10 0 ADAEHM CC(C)n1[n-]c2c(c1=O)CN(C)CC2 257879259 573809221 /nfs/dbraw/zinc/80/92/21/573809221.db2.gz VBTHEAPGEOTBML-UHFFFAOYSA-N -1 3 195.266 1.158 10 0 ADAEHM CSc1ccc(C(=O)CN)cc1[O-] 258138495 573809042 /nfs/dbraw/zinc/80/90/42/573809042.db2.gz SDGCYDKZMDRPBB-UHFFFAOYSA-N -1 3 197.259 1.256 10 0 ADAEHM Nc1[n-]c(=O)nc2cc(F)ccc12 257882160 573811580 /nfs/dbraw/zinc/81/15/80/573811580.db2.gz MEZWTLNMCKMOLD-UHFFFAOYSA-N -1 3 179.154 1.057 10 0 ADAEHM O=C1CCCNN1c1ccccc1[O-] 257880368 573812563 /nfs/dbraw/zinc/81/25/63/573812563.db2.gz VJHOSPSOJZOMSK-UHFFFAOYSA-N -1 3 192.218 1.024 10 0 ADAEHM CC(C)(CO)c1ccc([O-])c(F)c1 258140847 573812759 /nfs/dbraw/zinc/81/27/59/573812759.db2.gz SJVXZXSMXKUVLB-UHFFFAOYSA-N -1 3 184.210 1.801 10 0 ADAEHM Cc1cc2oc(=O)sc2cc1[O-] 238522944 573813129 /nfs/dbraw/zinc/81/31/29/573813129.db2.gz SMUVYIJNJGQIDP-UHFFFAOYSA-N -1 3 182.200 1.869 10 0 ADAEHM O=c1nc(-c2ccco2)o[n-]1 258144813 573813631 /nfs/dbraw/zinc/81/36/31/573813631.db2.gz VSPZSUSFBBMCLG-UHFFFAOYSA-N -1 3 152.109 1.035 10 0 ADAEHM O=C([O-])c1oncc1CNC1CCC1 257880314 573814674 /nfs/dbraw/zinc/81/46/74/573814674.db2.gz HAUVUTXJWZKLKO-UHFFFAOYSA-N -1 3 196.206 1.015 10 0 ADAEHM O=C1CCCON1c1ccccc1[O-] 257880158 573815522 /nfs/dbraw/zinc/81/55/22/573815522.db2.gz VGSQVQQOBQIDGJ-UHFFFAOYSA-N -1 3 193.202 1.451 10 0 ADAEHM Cc1cnc(CO)c([O-])c1C(F)F 238521805 573815839 /nfs/dbraw/zinc/81/58/39/573815839.db2.gz WFCRMMRGNPEKIT-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM COCc1ccc(CNO)cc1[O-] 258140995 573816059 /nfs/dbraw/zinc/81/60/59/573816059.db2.gz SOKGZAIMMNFVNR-UHFFFAOYSA-N -1 3 183.207 1.017 10 0 ADAEHM Cc1cc(F)c([O-])c(CC2(O)CC2)c1 258145389 573816071 /nfs/dbraw/zinc/81/60/71/573816071.db2.gz SWVZASPIWZBKDG-UHFFFAOYSA-N -1 3 196.221 1.907 10 0 ADAEHM N=C(N)c1cc2cccc([O-])c2o1 84296534 573816333 /nfs/dbraw/zinc/81/63/33/573816333.db2.gz SBZVHJBFNOOWOB-UHFFFAOYSA-N -1 3 176.175 1.422 10 0 ADAEHM Nc1[n-]c(=O)nc2c(Cl)cccc12 257880165 573817310 /nfs/dbraw/zinc/81/73/10/573817310.db2.gz VGWNQXXAMSWQPP-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 ADAEHM [O-]c1ccccc1-c1nc(CO)co1 258145759 573818477 /nfs/dbraw/zinc/81/84/77/573818477.db2.gz QCLMYDZIZWOZEE-UHFFFAOYSA-N -1 3 191.186 1.540 10 0 ADAEHM CC(C)(C)C1=C([O-])CCC1=O 238139504 573818121 /nfs/dbraw/zinc/81/81/21/573818121.db2.gz ZIXRBFXOIATCNR-UHFFFAOYSA-N -1 3 154.209 1.581 10 0 ADAEHM CC(=O)c1o[n-]c2cc(=O)ccc1-2 257883341 573818852 /nfs/dbraw/zinc/81/88/52/573818852.db2.gz MKIGWASSNWGLRS-UHFFFAOYSA-N -1 3 177.159 1.736 10 0 ADAEHM CC=C1N=Nc2nc[n-]c(=O)c21 306449385 573819692 /nfs/dbraw/zinc/81/96/92/573819692.db2.gz LXEGZRPDUCXSMX-UHFFFAOYSA-N -1 3 162.152 1.083 10 0 ADAEHM C=Cc1ccc2o[n-]c(=O)c2c1 238136610 573820192 /nfs/dbraw/zinc/82/01/92/573820192.db2.gz HOTOBLXKOVSUGH-UHFFFAOYSA-N -1 3 161.160 1.764 10 0 ADAEHM CC1NC(=O)c2cc([O-])ccc2C1=O 238526328 573824126 /nfs/dbraw/zinc/82/41/26/573824126.db2.gz SJIFODJVDOJQQH-UHFFFAOYSA-N -1 3 191.186 1.660 10 0 ADAEHM Cc1[nH]c(=O)c2ccc([O-])cc2c1O 238526349 573826894 /nfs/dbraw/zinc/82/68/94/573826894.db2.gz LVIAAFINCYFWAT-UHFFFAOYSA-N -1 3 191.186 1.660 10 0 ADAEHM Cc1noc2cc([O-])c(N)cc12 238531601 573828105 /nfs/dbraw/zinc/82/81/05/573828105.db2.gz XNBZDFTWFAIQDS-UHFFFAOYSA-N -1 3 164.164 1.424 10 0 ADAEHM Cc1nc(CO)cc(C(F)F)c1[O-] 238527852 573828180 /nfs/dbraw/zinc/82/81/80/573828180.db2.gz NSOVUHBZBGDVSJ-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM Cc1nc(CO)c(C(F)F)cc1[O-] 238526832 573828956 /nfs/dbraw/zinc/82/89/56/573828956.db2.gz JIVWJXCAHHCSTO-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM Cc1cc(=S)n2[n-]ccc2n1 238526820 573829098 /nfs/dbraw/zinc/82/90/98/573829098.db2.gz UDXBPTGIOYGVCH-UHFFFAOYSA-N -1 3 165.221 1.700 10 0 ADAEHM CNC(=O)Nc1ccc([O-])cc1F 125225390 573833279 /nfs/dbraw/zinc/83/32/79/573833279.db2.gz KYDAXOHCGKIIMX-UHFFFAOYSA-N -1 3 184.170 1.283 10 0 ADAEHM Cc1cc2cccc([O-])c2c(=O)n1C 258149567 573833058 /nfs/dbraw/zinc/83/30/58/573833058.db2.gz LGJSOGXFDOVGIV-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM Cc1c(CO)cnc(C(F)F)c1[O-] 238533450 573833964 /nfs/dbraw/zinc/83/39/64/573833964.db2.gz ZCPQCONQCUVLMK-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM CC[C@H](CC(=O)[O-])N1CC[C@H](F)C1 689826485 573834258 /nfs/dbraw/zinc/83/42/58/573834258.db2.gz IHSZAGXOOKUJNL-JGVFFNPUSA-N -1 3 189.230 1.284 10 0 ADAEHM Cc1c(C(N)=O)oc2cccc([O-])c12 238533396 573834394 /nfs/dbraw/zinc/83/43/94/573834394.db2.gz UEPWKKWKIAAEAS-UHFFFAOYSA-N -1 3 191.186 1.546 10 0 ADAEHM CC[C@@H](CC(=O)[O-])N1CC[C@@H](F)C1 689826490 573836721 /nfs/dbraw/zinc/83/67/21/573836721.db2.gz IHSZAGXOOKUJNL-SFYZADRCSA-N -1 3 189.230 1.284 10 0 ADAEHM CC[C@H](CC(=O)[O-])N1CC[C@@H](F)C1 689826472 573836117 /nfs/dbraw/zinc/83/61/17/573836117.db2.gz IHSZAGXOOKUJNL-HTQZYQBOSA-N -1 3 189.230 1.284 10 0 ADAEHM CC#CCCN1CC([C@H](C)C(=O)[O-])C1 130102680 573836586 /nfs/dbraw/zinc/83/65/86/573836586.db2.gz XRRFDFWFPGIHHP-VIFPVBQESA-N -1 3 195.262 1.052 10 0 ADAEHM CNC(=O)Nc1ccc([O-])c(F)c1 125224698 573836749 /nfs/dbraw/zinc/83/67/49/573836749.db2.gz XYPIQNFDVWLDEG-UHFFFAOYSA-N -1 3 184.170 1.283 10 0 ADAEHM CC[C@@H](CC(=O)[O-])N1CC[C@H](F)C1 689826495 573837341 /nfs/dbraw/zinc/83/73/41/573837341.db2.gz IHSZAGXOOKUJNL-YUMQZZPRSA-N -1 3 189.230 1.284 10 0 ADAEHM Cc1ccc([O-])c2oc(CN)cc12 257887208 573838371 /nfs/dbraw/zinc/83/83/71/573838371.db2.gz MSBABJOCRSKWCW-UHFFFAOYSA-N -1 3 177.203 1.906 10 0 ADAEHM CC(=O)c1[n-]c(=S)sc1N 238157580 573839483 /nfs/dbraw/zinc/83/94/83/573839483.db2.gz JIRZEXFMCRGMMX-UHFFFAOYSA-N -1 3 174.250 1.217 10 0 ADAEHM C[C@@H](O)Cc1ccc(O)c(F)c1[O-] 258150612 573839528 /nfs/dbraw/zinc/83/95/28/573839528.db2.gz UBOBWMZGUKBGMP-RXMQYKEDSA-N -1 3 186.182 1.160 10 0 ADAEHM C[C@@H](NC/C=C\C(=O)[O-])c1ccco1 308450588 573841063 /nfs/dbraw/zinc/84/10/63/573841063.db2.gz SPWBKAATXFAARQ-ZTHSNPKKSA-N -1 3 195.218 1.571 10 0 ADAEHM Cc1c([O-])c(N=O)c(O)c(C)c1O 238533966 573841596 /nfs/dbraw/zinc/84/15/96/573841596.db2.gz WGCJCBDZZUTTGI-UHFFFAOYSA-N -1 3 183.163 1.818 10 0 ADAEHM C[C@]1(c2nnc(Cl)[n-]2)CCCO1 87229467 573841329 /nfs/dbraw/zinc/84/13/29/573841329.db2.gz IDFKMXXQISHGJQ-SSDOTTSWSA-N -1 3 187.630 1.484 10 0 ADAEHM C[C@]1(c2n[n-]c(Cl)n2)CCCO1 87229467 573841335 /nfs/dbraw/zinc/84/13/35/573841335.db2.gz IDFKMXXQISHGJQ-SSDOTTSWSA-N -1 3 187.630 1.484 10 0 ADAEHM C[C@]1(c2nc(Cl)n[n-]2)CCCO1 87229467 573841339 /nfs/dbraw/zinc/84/13/39/573841339.db2.gz IDFKMXXQISHGJQ-SSDOTTSWSA-N -1 3 187.630 1.484 10 0 ADAEHM C[C@H](O)Cc1ccc(O)c(F)c1[O-] 258150613 573842892 /nfs/dbraw/zinc/84/28/92/573842892.db2.gz UBOBWMZGUKBGMP-YFKPBYRVSA-N -1 3 186.182 1.160 10 0 ADAEHM C[C@](F)(CC(=O)[O-])CN1CCCC1 257887498 573843082 /nfs/dbraw/zinc/84/30/82/573843082.db2.gz WMMSPQUPUTWPNX-VIFPVBQESA-N -1 3 189.230 1.285 10 0 ADAEHM CONCc1cc(C)cc([O-])c1F 258150496 573843448 /nfs/dbraw/zinc/84/34/48/573843448.db2.gz TZHFDPQSBYMXFG-UHFFFAOYSA-N -1 3 185.198 1.491 10 0 ADAEHM Cc1ccc(-c2nc(=O)[n-]o2)o1 258158720 573844833 /nfs/dbraw/zinc/84/48/33/573844833.db2.gz WPSFBTQRXLDVGL-UHFFFAOYSA-N -1 3 166.136 1.344 10 0 ADAEHM Cc1c(Cl)ccc([O-])c1CON 258160646 573845686 /nfs/dbraw/zinc/84/56/86/573845686.db2.gz VAGTZRKUNLEFSI-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM CC(C)CCNc1nc([O-])cs1 238159237 573844886 /nfs/dbraw/zinc/84/48/86/573844886.db2.gz RWPHHBJHPLHZCB-UHFFFAOYSA-N -1 3 186.280 1.252 10 0 ADAEHM CCc1cc(O)cc([C@@H](N)C(=O)[O-])c1 258158067 573844926 /nfs/dbraw/zinc/84/49/26/573844926.db2.gz UUZPNVHAJLTYBN-SECBINFHSA-N -1 3 195.218 1.039 10 0 ADAEHM Cc1c(C(F)F)c[nH]c(=O)c1[O-] 238536021 573845695 /nfs/dbraw/zinc/84/56/95/573845695.db2.gz SXPWDFVCWWBDRY-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM CCc1ccc(C)c([C@@H](N)C(=O)[O-])c1 258158080 573848049 /nfs/dbraw/zinc/84/80/49/573848049.db2.gz UVNIUVBRMBCRPA-SNVBAGLBSA-N -1 3 193.246 1.642 10 0 ADAEHM C[C@@H](N)c1c(F)c([O-])cc(F)c1F 258160510 573848077 /nfs/dbraw/zinc/84/80/77/573848077.db2.gz UXEJLDMSKIKZPD-GSVOUGTGSA-N -1 3 191.152 1.829 10 0 ADAEHM CC(=O)c1cnc(C)c([O-])c1 238153329 573848100 /nfs/dbraw/zinc/84/81/00/573848100.db2.gz YNEJXNMGZSXIBP-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM Cc1c(C(=O)[O-])oc2ncccc12 238537564 573848244 /nfs/dbraw/zinc/84/82/44/573848244.db2.gz QXHSMYQHXPEYFE-UHFFFAOYSA-N -1 3 177.159 1.834 10 0 ADAEHM Cc1cccc(OC([O-])=NC(N)=O)c1 238537676 573848264 /nfs/dbraw/zinc/84/82/64/573848264.db2.gz YVQWVQQIBAZGFH-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1cccc(OC(=O)N=C(N)[O-])c1 238537676 573848269 /nfs/dbraw/zinc/84/82/69/573848269.db2.gz YVQWVQQIBAZGFH-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1cccc(OC(=O)[N-]C(N)=O)c1 238537676 573848275 /nfs/dbraw/zinc/84/82/75/573848275.db2.gz YVQWVQQIBAZGFH-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM C[C@H](CO)c1c(F)ccc([O-])c1F 258158049 573848560 /nfs/dbraw/zinc/84/85/60/573848560.db2.gz UUVGIEWCICFJOF-RXMQYKEDSA-N -1 3 188.173 1.766 10 0 ADAEHM CCc1cc(O)cc([C@H](N)C(=O)[O-])c1 258158068 573848449 /nfs/dbraw/zinc/84/84/49/573848449.db2.gz UUZPNVHAJLTYBN-VIFPVBQESA-N -1 3 195.218 1.039 10 0 ADAEHM C[C@@H](CO)c1c(F)ccc([O-])c1F 258158052 573848703 /nfs/dbraw/zinc/84/87/03/573848703.db2.gz UUVGIEWCICFJOF-YFKPBYRVSA-N -1 3 188.173 1.766 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)CCCCCC2 238539196 573849850 /nfs/dbraw/zinc/84/98/50/573849850.db2.gz AUMXLVSONUKBOF-UHFFFAOYSA-N -1 3 192.262 1.737 10 0 ADAEHM CN(CCCC(=O)[O-])Cc1ccc[nH]1 258970090 573849853 /nfs/dbraw/zinc/84/98/53/573849853.db2.gz WYEJQXKYWOOKMG-UHFFFAOYSA-N -1 3 196.250 1.311 10 0 ADAEHM Cc1c([O-])ccc2c1CCOC2=O 238540111 573850588 /nfs/dbraw/zinc/85/05/88/573850588.db2.gz ZRXMAULFMRAUBQ-UHFFFAOYSA-N -1 3 178.187 1.414 10 0 ADAEHM Cc1cc([C@H](N)C(=O)[O-])cc(O)c1C 258155406 573852152 /nfs/dbraw/zinc/85/21/52/573852152.db2.gz UMZQVOVLKBXBGH-VIFPVBQESA-N -1 3 195.218 1.093 10 0 ADAEHM Cc1ccc(F)c([O-])c1CC1(O)CC1 258155428 573854058 /nfs/dbraw/zinc/85/40/58/573854058.db2.gz UNPADNJZIIQTOQ-UHFFFAOYSA-N -1 3 196.221 1.907 10 0 ADAEHM COC(=O)[C@H](F)c1ccccc1[O-] 257890282 573856226 /nfs/dbraw/zinc/85/62/26/573856226.db2.gz NGJBIOLZQXFCPY-MRVPVSSYSA-N -1 3 184.166 1.576 10 0 ADAEHM Cn1cc(C(C)(C)C)c(=O)[n-]c1=S 238542333 573856006 /nfs/dbraw/zinc/85/60/06/573856006.db2.gz VIEQPTKOVXHRNS-UHFFFAOYSA-N -1 3 198.291 1.740 10 0 ADAEHM CC(=O)c1cncc([O-])c1C 238154520 573856021 /nfs/dbraw/zinc/85/60/21/573856021.db2.gz FAPSKZAEERRDGR-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM Cc1c([O-])cnc(C(F)F)c1C=O 238544168 573857818 /nfs/dbraw/zinc/85/78/18/573857818.db2.gz JEWABAAAKBYMOA-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM Cc1cc([O-])c(CON)cc1Cl 258155613 573859763 /nfs/dbraw/zinc/85/97/63/573859763.db2.gz URKHWDDDOICNFR-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM O=c1cc(-c2ccccc2)[n-]c(=O)o1 101269142 573860156 /nfs/dbraw/zinc/86/01/56/573860156.db2.gz WEVLFOSLWADBBZ-UHFFFAOYSA-N -1 3 189.170 1.407 10 0 ADAEHM Cc1c([O-])c(C(F)F)c[nH]c1=O 238547111 573862530 /nfs/dbraw/zinc/86/25/30/573862530.db2.gz DGPXKBJEMKZBRB-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM Cc1onc2nc(C(C)C)[n-]c(=O)c12 238170940 573862399 /nfs/dbraw/zinc/86/23/99/573862399.db2.gz UAQFHIGCCKSDJJ-UHFFFAOYSA-N -1 3 193.206 1.343 10 0 ADAEHM NOCCc1cccc(Cl)c1[O-] 258165611 573862741 /nfs/dbraw/zinc/86/27/41/573862741.db2.gz VIOFKCYBYADABR-UHFFFAOYSA-N -1 3 187.626 1.478 10 0 ADAEHM C[C@@H](C[C@@H](N)c1ccccn1)C(=O)[O-] 259215844 573862802 /nfs/dbraw/zinc/86/28/02/573862802.db2.gz GQLVDYDBQXZGCG-JGVFFNPUSA-N -1 3 194.234 1.192 10 0 ADAEHM C=C[C@H](C)N1CC([C@@H](C)C(=O)[O-])C1 130128015 573862958 /nfs/dbraw/zinc/86/29/58/573862958.db2.gz QOKROUWXNGVNHS-JGVFFNPUSA-N -1 3 183.251 1.213 10 0 ADAEHM C=C[C@@H](C)N1CC([C@@H](C)C(=O)[O-])C1 130128221 573863909 /nfs/dbraw/zinc/86/39/09/573863909.db2.gz QOKROUWXNGVNHS-HTQZYQBOSA-N -1 3 183.251 1.213 10 0 ADAEHM C[C@H](N)C(=O)c1ccc(Cl)c([O-])c1 214997939 573867775 /nfs/dbraw/zinc/86/77/75/573867775.db2.gz OAZRQDPBMABAHK-YFKPBYRVSA-N -1 3 199.637 1.576 10 0 ADAEHM Cc1cc([O-])c(C(=O)CN)c(Cl)c1 214998329 573867943 /nfs/dbraw/zinc/86/79/43/573867943.db2.gz JZEFLSQTKGFGLK-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM Cc1ccc([O-])c(C(=O)CN)c1Cl 214998403 573868063 /nfs/dbraw/zinc/86/80/63/573868063.db2.gz KWYCZCRJMCYQDG-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM CCOC1CCN(/C=C\C(=O)[O-])CC1 211626050 573868789 /nfs/dbraw/zinc/86/87/89/573868789.db2.gz OLGRKJOSBDVOQD-YVMONPNESA-N -1 3 199.250 1.086 10 0 ADAEHM C[C@H](F)[C@](N)(C(=O)[O-])C1CCCC1 257891738 573869244 /nfs/dbraw/zinc/86/92/44/573869244.db2.gz XFEBEJOXTOMYHJ-IMTBSYHQSA-N -1 3 189.230 1.317 10 0 ADAEHM C[C@@H](F)[C@@](N)(C(=O)[O-])C1CCCC1 257891741 573869476 /nfs/dbraw/zinc/86/94/76/573869476.db2.gz XFEBEJOXTOMYHJ-MUWHJKNJSA-N -1 3 189.230 1.317 10 0 ADAEHM Cc1c([O-])ccc2cc(O)c(=O)oc12 238541344 573869760 /nfs/dbraw/zinc/86/97/60/573869760.db2.gz OKBBELDILKMYGD-UHFFFAOYSA-N -1 3 192.170 1.513 10 0 ADAEHM N/C=C/c1cc(Cl)ccc1[O-] 238549770 573869788 /nfs/dbraw/zinc/86/97/88/573869788.db2.gz VGUIBCZOLZPHLS-ONEGZZNKSA-N -1 3 169.611 1.975 10 0 ADAEHM Cc1ccc(Cl)c(C(=O)CN)c1[O-] 214998466 573869804 /nfs/dbraw/zinc/86/98/04/573869804.db2.gz BEROCAXGAUDPHR-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM C[C@@H](N)C(=O)c1ccc(Cl)c([O-])c1 214997986 573870858 /nfs/dbraw/zinc/87/08/58/573870858.db2.gz OAZRQDPBMABAHK-RXMQYKEDSA-N -1 3 199.637 1.576 10 0 ADAEHM Cc1cc2c(cc1[O-])COC2=O 238541128 573870094 /nfs/dbraw/zinc/87/00/94/573870094.db2.gz YWQICVMBAKVJAN-UHFFFAOYSA-N -1 3 164.160 1.371 10 0 ADAEHM Cc1cc(C(=O)CN)cc([O-])c1Cl 214998189 573870449 /nfs/dbraw/zinc/87/04/49/573870449.db2.gz XVPPSVVAYGRITF-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@@H](c1ccc[nH]1)N(C)C 259575677 573870467 /nfs/dbraw/zinc/87/04/67/573870467.db2.gz PMUFJUPFMOVOAY-APPZFPTMSA-N -1 3 196.250 1.338 10 0 ADAEHM C[C@@H](F)[C@](N)(C(=O)[O-])C1CCCC1 257891734 573870530 /nfs/dbraw/zinc/87/05/30/573870530.db2.gz XFEBEJOXTOMYHJ-HZGVNTEJSA-N -1 3 189.230 1.317 10 0 ADAEHM Cc1c([O-])cc(C(=O)CN)cc1Cl 214998046 573870578 /nfs/dbraw/zinc/87/05/78/573870578.db2.gz CYSOHVLODNRBIA-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM CN1CCCC[C@H]1Cn1cc([O-])cn1 257895551 573874730 /nfs/dbraw/zinc/87/47/30/573874730.db2.gz HCQUGJGVTKFWLX-VIFPVBQESA-N -1 3 195.266 1.073 10 0 ADAEHM Nc1cc(-c2ccc(O)cc2[O-])no1 258171049 573877032 /nfs/dbraw/zinc/87/70/32/573877032.db2.gz VUOKRSPPZPSMEA-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM Cc1c[nH]c(=O)c2cc(O)cc([O-])c12 238553025 573880286 /nfs/dbraw/zinc/88/02/86/573880286.db2.gz GQGHIZYSGIHSSH-UHFFFAOYSA-N -1 3 191.186 1.248 10 0 ADAEHM Cc1ccc([C@H](N)[C@@H]2C[C@@H]2C(=O)[O-])o1 259579224 573881191 /nfs/dbraw/zinc/88/11/91/573881191.db2.gz ZBPPMPGSHGNLDM-BKPPORCPSA-N -1 3 195.218 1.309 10 0 ADAEHM CC1(C)OC(=O)c2cc([O-])ccc21 238178110 573881810 /nfs/dbraw/zinc/88/18/10/573881810.db2.gz HHMGOFQHPYZOBW-UHFFFAOYSA-N -1 3 178.187 1.798 10 0 ADAEHM Cc1ccc([C@H](N)[C@@H]2C[C@H]2C(=O)[O-])o1 259579231 573883085 /nfs/dbraw/zinc/88/30/85/573883085.db2.gz ZBPPMPGSHGNLDM-ZXFLCMHBSA-N -1 3 195.218 1.309 10 0 ADAEHM Cc1ccc(C(=O)[N-]C#N)c(F)c1 87331921 573882982 /nfs/dbraw/zinc/88/29/82/573882982.db2.gz XNYFUQIDXNRTKU-UHFFFAOYSA-N -1 3 178.166 1.345 10 0 ADAEHM O=C([O-])c1ncc(CNC2CCC2)o1 258172395 573885174 /nfs/dbraw/zinc/88/51/74/573885174.db2.gz MLFZLEFHYPNJQJ-UHFFFAOYSA-N -1 3 196.206 1.015 10 0 ADAEHM CSc1ccc2c(c1)C(=O)[N-]C2=O 80175788 573886957 /nfs/dbraw/zinc/88/69/57/573886957.db2.gz LYAACEIZCVMMAB-UHFFFAOYSA-N -1 3 193.227 1.292 10 0 ADAEHM CC(C)(C)[C@@H]1C[N-]C(=S)O1 80177243 573887965 /nfs/dbraw/zinc/88/79/65/573887965.db2.gz BAFJOSVBICCLLK-YFKPBYRVSA-N -1 3 159.254 1.306 10 0 ADAEHM COc1cc([O-])c(CCO)c(F)c1 258171155 573888090 /nfs/dbraw/zinc/88/80/90/573888090.db2.gz VWFIRMRFXCGQQE-UHFFFAOYSA-N -1 3 186.182 1.075 10 0 ADAEHM O=Cc1n[n-]c2sccc12 76589310 573888331 /nfs/dbraw/zinc/88/83/31/573888331.db2.gz IOORRWBYMLRJKS-UHFFFAOYSA-N -1 3 152.178 1.437 10 0 ADAEHM O=Cc1[n-]nc2sccc12 76589310 573888337 /nfs/dbraw/zinc/88/83/37/573888337.db2.gz IOORRWBYMLRJKS-UHFFFAOYSA-N -1 3 152.178 1.437 10 0 ADAEHM Cc1ccc([O-])c(C(O)=S)c1 80303658 573889026 /nfs/dbraw/zinc/88/90/26/573889026.db2.gz QADWHSDYQFHZPU-UHFFFAOYSA-N -1 3 168.217 1.934 10 0 ADAEHM [O-]c1ccc(F)cc1C(O)=S 102094373 573892036 /nfs/dbraw/zinc/89/20/36/573892036.db2.gz JNGQHERHCRSNDW-UHFFFAOYSA-N -1 3 172.180 1.765 10 0 ADAEHM O=c1[nH]cc(-c2ccncc2)cc1[O-] 144946953 573892467 /nfs/dbraw/zinc/89/24/67/573892467.db2.gz AAPQMQONUZNMAM-UHFFFAOYSA-N -1 3 188.186 1.143 10 0 ADAEHM O=C([N-]c1ccno1)N1CCCCC1 144972599 573892485 /nfs/dbraw/zinc/89/24/85/573892485.db2.gz YEXMWCOSIZICPY-UHFFFAOYSA-N -1 3 195.222 1.692 10 0 ADAEHM NCc1cnc(C(F)F)c([O-])c1F 238563544 573894123 /nfs/dbraw/zinc/89/41/23/573894123.db2.gz SSZHJNQBFREPHT-UHFFFAOYSA-N -1 3 192.140 1.323 10 0 ADAEHM O=C([O-])c1cnc([C@H]2CCCN2)s1 258174627 573894281 /nfs/dbraw/zinc/89/42/81/573894281.db2.gz RRLHARQDQHFUFO-RXMQYKEDSA-N -1 3 198.247 1.266 10 0 ADAEHM C[C@H](N)c1c(F)c([O-])cc(O)c1F 258173666 573894291 /nfs/dbraw/zinc/89/42/91/573894291.db2.gz VZFJJQRVVJEWDP-VKHMYHEASA-N -1 3 189.161 1.396 10 0 ADAEHM CC[NH2+][C@H](C(=O)[O-])c1ccccc1[O-] 130268215 573894360 /nfs/dbraw/zinc/89/43/60/573894360.db2.gz NTBWQHQJYJVDDZ-VIFPVBQESA-N -1 3 195.218 1.127 10 0 ADAEHM CC(C)c1cnc(=O)[n-]c1Cl 238174157 573896897 /nfs/dbraw/zinc/89/68/97/573896897.db2.gz IPJMSVHEGDFSQY-UHFFFAOYSA-N -1 3 172.615 1.959 10 0 ADAEHM O=c1[n-]c(=O)c(Cc2ccco2)c[nH]1 257902560 573897167 /nfs/dbraw/zinc/89/71/67/573897167.db2.gz ALNITWVXHPIHCJ-UHFFFAOYSA-N -1 3 192.174 1.072 10 0 ADAEHM Cc1[nH][n-]c2c(C(C)C)[nH]c(=O)c1-2 238174798 573897265 /nfs/dbraw/zinc/89/72/65/573897265.db2.gz IDXILLSOOOHNGK-SSDOTTSWSA-N -1 3 179.223 1.159 10 0 ADAEHM Cc1[n-][nH]c2c(C(C)C)[nH]c(=O)c1-2 238174798 573897268 /nfs/dbraw/zinc/89/72/68/573897268.db2.gz IDXILLSOOOHNGK-SSDOTTSWSA-N -1 3 179.223 1.159 10 0 ADAEHM Cc1cc(C)c2c[nH]nc2c1[O-] 80450416 573899732 /nfs/dbraw/zinc/89/97/32/573899732.db2.gz WMRUXIKEZVBRGZ-UHFFFAOYSA-N -1 3 162.192 1.885 10 0 ADAEHM O=C1CCc2c(ccc([O-])c2F)N1 257904039 573903560 /nfs/dbraw/zinc/90/35/60/573903560.db2.gz LBTTVZPXSCZZKM-UHFFFAOYSA-N -1 3 181.166 1.416 10 0 ADAEHM C[C@@H]1CC(=O)N(c2cccc([O-])c2)O1 257895975 573903625 /nfs/dbraw/zinc/90/36/25/573903625.db2.gz XWZQUWFZNLXOSK-SSDOTTSWSA-N -1 3 193.202 1.449 10 0 ADAEHM Cc1nc2noc(C(C)C)c2c(=O)[n-]1 238192126 573903736 /nfs/dbraw/zinc/90/37/36/573903736.db2.gz VUWIDRXYPVHFGY-UHFFFAOYSA-N -1 3 193.206 1.343 10 0 ADAEHM Cc1nc2onc(C(C)C)c2c(=O)[n-]1 238191506 573903973 /nfs/dbraw/zinc/90/39/73/573903973.db2.gz LMTFWEWSGHBWRW-UHFFFAOYSA-N -1 3 193.206 1.343 10 0 ADAEHM Nc1nc(Cl)nc2c([O-])cccc12 257896055 573905599 /nfs/dbraw/zinc/90/55/99/573905599.db2.gz XYCWKYAYHRTPIO-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 ADAEHM C[C@H]1CC(=O)N(c2cccc([O-])c2)O1 257895978 573905615 /nfs/dbraw/zinc/90/56/15/573905615.db2.gz XWZQUWFZNLXOSK-ZETCQYMHSA-N -1 3 193.202 1.449 10 0 ADAEHM Cc1cc(=O)c2c(O)cc([O-])cc2[nH]1 238194963 573907944 /nfs/dbraw/zinc/90/79/44/573907944.db2.gz UPTRVCPVNLAUBF-UHFFFAOYSA-N -1 3 191.186 1.777 10 0 ADAEHM CC1=C(C)C(N)(C(=O)[O-])C(C)=C1C 238195458 573907960 /nfs/dbraw/zinc/90/79/60/573907960.db2.gz HGZMICXLTWJFLQ-UHFFFAOYSA-N -1 3 181.235 1.455 10 0 ADAEHM CC1(C)C(=O)Nc2c([O-])cc(O)cc21 238194016 573909414 /nfs/dbraw/zinc/90/94/14/573909414.db2.gz MQSSVQNVUVPIBN-UHFFFAOYSA-N -1 3 193.202 1.328 10 0 ADAEHM [O-]c1ccc(CC2(O)CC2)cc1F 258179110 573911716 /nfs/dbraw/zinc/91/17/16/573911716.db2.gz WLTKGOOMSSCYNG-UHFFFAOYSA-N -1 3 182.194 1.599 10 0 ADAEHM Cc1cnccc1-c1cnc[n-]c1=O 235792147 573911867 /nfs/dbraw/zinc/91/18/67/573911867.db2.gz ZNFYFMOMIKYSDC-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM [O-]c1c(F)cccc1CC1(O)CC1 258179258 573912261 /nfs/dbraw/zinc/91/22/61/573912261.db2.gz WNFHTQKZCQKLAY-UHFFFAOYSA-N -1 3 182.194 1.599 10 0 ADAEHM Cc1cc2c(o1)CNC[C@@H]2CC(=O)[O-] 76636330 573915650 /nfs/dbraw/zinc/91/56/50/573915650.db2.gz CENDPIDQDCQGRY-ZETCQYMHSA-N -1 3 195.218 1.250 10 0 ADAEHM C[C@@H](CC1=CCN(C)CC1)C(=O)[O-] 257898643 573917389 /nfs/dbraw/zinc/91/73/89/573917389.db2.gz AHONPBFFLGIOHV-QMMMGPOBSA-N -1 3 183.251 1.359 10 0 ADAEHM Cc1nc([C@H]2CCCN2)c(C(=O)[O-])o1 258180502 573917550 /nfs/dbraw/zinc/91/75/50/573917550.db2.gz VAPIQFNFBMKKFK-ZCFIWIBFSA-N -1 3 196.206 1.106 10 0 ADAEHM O=C([O-])/C=C\CN1CC2(CCCC2)C1 308462967 573918249 /nfs/dbraw/zinc/91/82/49/573918249.db2.gz DQQNYMQNUJDVAJ-ARJAWSKDSA-N -1 3 195.262 1.503 10 0 ADAEHM C[C@H]1CNC(=O)N1c1ccccc1[O-] 257899394 573918122 /nfs/dbraw/zinc/91/81/22/573918122.db2.gz YMGSXYPFEHKGHR-ZETCQYMHSA-N -1 3 192.218 1.310 10 0 ADAEHM CC[C@H](C(=O)[O-])N(C)c1ccncc1 44619426 573918136 /nfs/dbraw/zinc/91/81/36/573918136.db2.gz TZQULESAIDGEBW-SECBINFHSA-N -1 3 194.234 1.381 10 0 ADAEHM C[C@H](CC1=CCN(C)CC1)C(=O)[O-] 257898642 573919219 /nfs/dbraw/zinc/91/92/19/573919219.db2.gz AHONPBFFLGIOHV-MRVPVSSYSA-N -1 3 183.251 1.359 10 0 ADAEHM C[C@@H]1CNC(=O)N1c1ccccc1[O-] 257899392 573919671 /nfs/dbraw/zinc/91/96/71/573919671.db2.gz YMGSXYPFEHKGHR-SSDOTTSWSA-N -1 3 192.218 1.310 10 0 ADAEHM COC(=O)[C@H](C)c1ccc(F)cc1[O-] 145092790 573920027 /nfs/dbraw/zinc/92/00/27/573920027.db2.gz ICVYNHFCZHLUHA-ZCFIWIBFSA-N -1 3 198.193 1.808 10 0 ADAEHM CC1(C)ON=C(c2ccccc2[O-])O1 238185945 573921196 /nfs/dbraw/zinc/92/11/96/573921196.db2.gz FEJYVLRIQZLHTM-UHFFFAOYSA-N -1 3 193.202 1.837 10 0 ADAEHM Cc1noc([N-]C(=O)C(F)F)c1C 235803468 573923345 /nfs/dbraw/zinc/92/33/45/573923345.db2.gz AOXNGAWZIXDILJ-UHFFFAOYSA-N -1 3 190.149 1.495 10 0 ADAEHM Cc1noc([N-]C(=O)C(C)(C)O)c1C 235803331 573924740 /nfs/dbraw/zinc/92/47/40/573924740.db2.gz SINYLWWSEKPJIP-UHFFFAOYSA-N -1 3 198.222 1.001 10 0 ADAEHM Cc1cccc(-c2c(C)[n-][nH]c2=O)c1 103376709 573926165 /nfs/dbraw/zinc/92/61/65/573926165.db2.gz HGAUJBYXWLGCTR-JTQLQIEISA-N -1 3 188.230 1.584 10 0 ADAEHM CCCNC(=O)c1cc(O)ccc1[O-] 224746668 573928056 /nfs/dbraw/zinc/92/80/56/573928056.db2.gz XEBVKFGXFAJHET-UHFFFAOYSA-N -1 3 195.218 1.238 10 0 ADAEHM C[C@H]1Nc2cccc([O-])c2N(C)C1=O 259241235 573928058 /nfs/dbraw/zinc/92/80/58/573928058.db2.gz NCEAFTYKVBFVJL-ZCFIWIBFSA-N -1 3 192.218 1.169 10 0 ADAEHM CNCc1ccc(C(=O)[O-])cc1F 224743387 573929089 /nfs/dbraw/zinc/92/90/89/573929089.db2.gz UGQPKYGZZCGZBV-UHFFFAOYSA-N -1 3 183.182 1.243 10 0 ADAEHM O=Cc1o[n-]c2cc(=O)ccc1-2 258458899 573929530 /nfs/dbraw/zinc/92/95/30/573929530.db2.gz GTYVRVVCNDWRGN-UHFFFAOYSA-N -1 3 163.132 1.346 10 0 ADAEHM CCCCCN[C@H](C)c1nnn[n-]1 44923836 573931647 /nfs/dbraw/zinc/93/16/47/573931647.db2.gz BRLLCIPIYMGNBZ-SSDOTTSWSA-N -1 3 183.259 1.041 10 0 ADAEHM O=Cc1cnc(-c2ccccc2[O-])o1 257905060 573932788 /nfs/dbraw/zinc/93/27/88/573932788.db2.gz CDJYGOFVODFREB-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM Cc1noc([N-]Cc2cc(C)on2)n1 235820094 573935127 /nfs/dbraw/zinc/93/51/27/573935127.db2.gz JSZWQWJPRDWSRY-UHFFFAOYSA-N -1 3 194.194 1.287 10 0 ADAEHM Cc1noc([N-]Cc2n[nH]cc2C)n1 716451896 573935306 /nfs/dbraw/zinc/93/53/06/573935306.db2.gz RHHJOZFHLCTPDK-UHFFFAOYSA-N -1 3 193.210 1.022 10 0 ADAEHM C=Cc1ccc([C@H](N)C(=O)[O-])cc1 81165345 573935771 /nfs/dbraw/zinc/93/57/71/573935771.db2.gz OJMPFWAWEWXHLB-VIFPVBQESA-N -1 3 177.203 1.414 10 0 ADAEHM CC(C)(C)C1CN(C/C=C/C(=O)[O-])C1 308468690 573939076 /nfs/dbraw/zinc/93/90/76/573939076.db2.gz IWJNPUHIAINWHC-SNAWJCMRSA-N -1 3 197.278 1.605 10 0 ADAEHM CC1(c2nc3c(c(=O)[n-]2)CCC3)CC1 87548744 573939211 /nfs/dbraw/zinc/93/92/11/573939211.db2.gz WEVBYVTWVWUSCJ-UHFFFAOYSA-N -1 3 190.246 1.310 10 0 ADAEHM CC1(c2nc(C3CC3)cc(=O)[n-]2)CC1 87548754 573939537 /nfs/dbraw/zinc/93/95/37/573939537.db2.gz MSVLGPBVLFRNMO-UHFFFAOYSA-N -1 3 190.246 1.699 10 0 ADAEHM O=Cc1cnoc1-c1ccc([O-])cc1 259246825 573942785 /nfs/dbraw/zinc/94/27/85/573942785.db2.gz NKOOIHXEPTYNGV-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM Nc1noc(-c2ccccc2[O-])n1 258187257 573944309 /nfs/dbraw/zinc/94/43/09/573944309.db2.gz YIKXAGBENXUHDX-UHFFFAOYSA-N -1 3 177.163 1.024 10 0 ADAEHM Cc1c(N)nc([C@H]2CC2(C)C)[n-]c1=O 235826232 573944409 /nfs/dbraw/zinc/94/44/09/573944409.db2.gz LPYRAVFDMNGVDB-ZCFIWIBFSA-N -1 3 193.250 1.174 10 0 ADAEHM Nc1ccc2nc[n-]c(=S)c2c1 81593905 573949496 /nfs/dbraw/zinc/94/94/96/573949496.db2.gz XOTJUNQJEQUFPS-UHFFFAOYSA-N -1 3 177.232 1.501 10 0 ADAEHM CC(C)c1[n-]n(C(C)C)c(=O)c1CN 257915373 573949758 /nfs/dbraw/zinc/94/97/58/573949758.db2.gz JIMLXYRFFPFWCI-UHFFFAOYSA-N -1 3 197.282 1.752 10 0 ADAEHM CCCc1c([O-])cnn1C 258522891 573949804 /nfs/dbraw/zinc/94/98/04/573949804.db2.gz MOAATROXYCZGRZ-UHFFFAOYSA-N -1 3 140.186 1.078 10 0 ADAEHM Cn1[n-]c(=O)c2cc(C=O)ccc21 257913936 573949879 /nfs/dbraw/zinc/94/98/79/573949879.db2.gz QQHSMUHCBQHOEV-UHFFFAOYSA-N -1 3 176.175 1.091 10 0 ADAEHM CN1CCC(/C=C(\F)C(=O)[O-])CC1 257907696 573950155 /nfs/dbraw/zinc/95/01/55/573950155.db2.gz PXPNTEHZOZDOOX-VURMDHGXSA-N -1 3 187.214 1.266 10 0 ADAEHM CC(F)(F)c1ccc([O-])cn1 238207830 573950823 /nfs/dbraw/zinc/95/08/23/573950823.db2.gz DKGLETYOBMGETE-UHFFFAOYSA-N -1 3 159.135 1.899 10 0 ADAEHM CC(F)(F)c1cncc([O-])c1 238208177 573953138 /nfs/dbraw/zinc/95/31/38/573953138.db2.gz KEAXKTWRAFRXBT-UHFFFAOYSA-N -1 3 159.135 1.899 10 0 ADAEHM O=c1cc(C2CC2)nc(CC2CC2)[n-]1 87580519 573953048 /nfs/dbraw/zinc/95/30/48/573953048.db2.gz ZWHASFHINSCPSI-UHFFFAOYSA-N -1 3 190.246 1.600 10 0 ADAEHM Cc1cc(=O)[n-]c(CC2CC2)n1 87580493 573952906 /nfs/dbraw/zinc/95/29/06/573952906.db2.gz AICLMYWESGKKSW-UHFFFAOYSA-N -1 3 164.208 1.031 10 0 ADAEHM CCn1[n-]c(=O)c2cccc(C)c21 257910140 573954428 /nfs/dbraw/zinc/95/44/28/573954428.db2.gz QELNEBDUZANMIS-UHFFFAOYSA-N -1 3 176.219 1.658 10 0 ADAEHM Cc1c(-c2ccncc2)nc[n-]c1=O 235843214 573954121 /nfs/dbraw/zinc/95/41/21/573954121.db2.gz NXLIRKJWJIXQLD-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM CCc1nc(CC2CC2)[n-]c(=O)c1C 87580521 573954337 /nfs/dbraw/zinc/95/43/37/573954337.db2.gz IKYRFOQXTVHKGV-UHFFFAOYSA-N -1 3 192.262 1.593 10 0 ADAEHM CCC(=O)[N-]C(=O)C(Cl)Cl 238208734 573956778 /nfs/dbraw/zinc/95/67/78/573956778.db2.gz JDAXXENKSHAEEX-UHFFFAOYSA-N -1 3 184.022 1.675 10 0 ADAEHM Cc1oc(=O)[n-]c1C(F)(F)F 258463767 573958574 /nfs/dbraw/zinc/95/85/74/573958574.db2.gz HKGBNXUMXIHILX-UHFFFAOYSA-N -1 3 167.086 1.707 10 0 ADAEHM CC(=O)Cc1cc(C)c([O-])cc1F 258189522 573958204 /nfs/dbraw/zinc/95/82/04/573958204.db2.gz XFCBLFCROCJAFG-UHFFFAOYSA-N -1 3 182.194 1.971 10 0 ADAEHM [O-]c1ccc(C2(O)CC2)cc1F 257912041 573958483 /nfs/dbraw/zinc/95/84/83/573958483.db2.gz AZPSQGOBDJHFDT-UHFFFAOYSA-N -1 3 168.167 1.513 10 0 ADAEHM C[C@@H](CO)c1ccc([O-])c(F)c1O 258189455 573960543 /nfs/dbraw/zinc/96/05/43/573960543.db2.gz XEAVSHWFAADHMK-YFKPBYRVSA-N -1 3 186.182 1.333 10 0 ADAEHM Cc1cc(C)c([O-])c(C(=O)N(C)C)c1 197144831 573960596 /nfs/dbraw/zinc/96/05/96/573960596.db2.gz PSENFQFTGATKOO-UHFFFAOYSA-N -1 3 193.246 1.711 10 0 ADAEHM Cc1cc(-c2cc(=O)[n-]cn2)ccn1 235850994 573960706 /nfs/dbraw/zinc/96/07/06/573960706.db2.gz FEXCWEWFUMEWQU-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM Cc1cc([O-])c(Cl)c(C(=O)CN)c1 258190917 573961860 /nfs/dbraw/zinc/96/18/60/573961860.db2.gz RRJNZTCUBRNEKX-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM CCC[C@@H](C)CC(=O)c1cnn[n-]1 87598679 573965402 /nfs/dbraw/zinc/96/54/02/573965402.db2.gz KRAJIDVHCZXOQM-SSDOTTSWSA-N -1 3 181.239 1.814 10 0 ADAEHM CCC[C@@H](C)CC(=O)c1c[n-]nn1 87598679 573965406 /nfs/dbraw/zinc/96/54/06/573965406.db2.gz KRAJIDVHCZXOQM-SSDOTTSWSA-N -1 3 181.239 1.814 10 0 ADAEHM CCC[C@@H](C)CC(=O)c1cn[n-]n1 87598679 573965413 /nfs/dbraw/zinc/96/54/13/573965413.db2.gz KRAJIDVHCZXOQM-SSDOTTSWSA-N -1 3 181.239 1.814 10 0 ADAEHM O=c1nc(-c2ccc([O-])cc2)o[nH]1 258192230 573964756 /nfs/dbraw/zinc/96/47/56/573964756.db2.gz YRASYDFKXFWBPI-UHFFFAOYSA-N -1 3 178.147 1.148 10 0 ADAEHM O=C(c1cnn[n-]1)C1CCCC1 87598460 573964809 /nfs/dbraw/zinc/96/48/09/573964809.db2.gz AOJQZRAHXZUMNR-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(c1c[n-]nn1)C1CCCC1 87598460 573964815 /nfs/dbraw/zinc/96/48/15/573964815.db2.gz AOJQZRAHXZUMNR-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(c1cn[n-]n1)C1CCCC1 87598460 573964818 /nfs/dbraw/zinc/96/48/18/573964818.db2.gz AOJQZRAHXZUMNR-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM C[C@H]1CCC[C@H](C(=O)c2cnn[n-]2)C1 87598712 573964832 /nfs/dbraw/zinc/96/48/32/573964832.db2.gz RVYREHBKFJVHFG-YUMQZZPRSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@H]1CCC[C@H](C(=O)c2c[n-]nn2)C1 87598712 573964836 /nfs/dbraw/zinc/96/48/36/573964836.db2.gz RVYREHBKFJVHFG-YUMQZZPRSA-N -1 3 193.250 1.814 10 0 ADAEHM CC[C@@H](C)C(=O)c1cnn[n-]1 87598779 573965485 /nfs/dbraw/zinc/96/54/85/573965485.db2.gz VKUAFSMBOZSRKU-RXMQYKEDSA-N -1 3 153.185 1.034 10 0 ADAEHM CC[C@@H](C)C(=O)c1c[n-]nn1 87598779 573965488 /nfs/dbraw/zinc/96/54/88/573965488.db2.gz VKUAFSMBOZSRKU-RXMQYKEDSA-N -1 3 153.185 1.034 10 0 ADAEHM C[C@H]1CCC[C@H](C(=O)c2cn[n-]n2)C1 87598712 573964840 /nfs/dbraw/zinc/96/48/40/573964840.db2.gz RVYREHBKFJVHFG-YUMQZZPRSA-N -1 3 193.250 1.814 10 0 ADAEHM CC[C@@H](C)C(=O)c1cn[n-]n1 87598779 573965494 /nfs/dbraw/zinc/96/54/94/573965494.db2.gz VKUAFSMBOZSRKU-RXMQYKEDSA-N -1 3 153.185 1.034 10 0 ADAEHM CC(C)(C)C(=O)c1cnn[n-]1 87598430 573965058 /nfs/dbraw/zinc/96/50/58/573965058.db2.gz IUTGJYUACQWMIM-UHFFFAOYSA-N -1 3 153.185 1.034 10 0 ADAEHM CC(C)(C)C(=O)c1c[n-]nn1 87598430 573965062 /nfs/dbraw/zinc/96/50/62/573965062.db2.gz IUTGJYUACQWMIM-UHFFFAOYSA-N -1 3 153.185 1.034 10 0 ADAEHM CC(C)(C)C(=O)c1cn[n-]n1 87598430 573965065 /nfs/dbraw/zinc/96/50/65/573965065.db2.gz IUTGJYUACQWMIM-UHFFFAOYSA-N -1 3 153.185 1.034 10 0 ADAEHM COc1ccc([C@H](C)O)c([O-])c1F 258192040 573965090 /nfs/dbraw/zinc/96/50/90/573965090.db2.gz XOBIOQFCSXFZKI-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM CCCCCC(=O)c1cnn[n-]1 87598433 573965228 /nfs/dbraw/zinc/96/52/28/573965228.db2.gz XSGAKXKMMOJAML-UHFFFAOYSA-N -1 3 167.212 1.568 10 0 ADAEHM CCCCCC(=O)c1c[n-]nn1 87598433 573965234 /nfs/dbraw/zinc/96/52/34/573965234.db2.gz XSGAKXKMMOJAML-UHFFFAOYSA-N -1 3 167.212 1.568 10 0 ADAEHM CCCCCC(=O)c1cn[n-]n1 87598433 573965240 /nfs/dbraw/zinc/96/52/40/573965240.db2.gz XSGAKXKMMOJAML-UHFFFAOYSA-N -1 3 167.212 1.568 10 0 ADAEHM O=C(c1cnn[n-]1)C1CCCCC1 87598606 573965509 /nfs/dbraw/zinc/96/55/09/573965509.db2.gz MWNYOOMSINSRGO-UHFFFAOYSA-N -1 3 179.223 1.568 10 0 ADAEHM C[C@@H]1CCC[C@H](C(=O)c2cnn[n-]2)C1 87598709 573965269 /nfs/dbraw/zinc/96/52/69/573965269.db2.gz RVYREHBKFJVHFG-SFYZADRCSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@@H]1CCC[C@H](C(=O)c2c[n-]nn2)C1 87598709 573965275 /nfs/dbraw/zinc/96/52/75/573965275.db2.gz RVYREHBKFJVHFG-SFYZADRCSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@@H]1CCC[C@H](C(=O)c2cn[n-]n2)C1 87598709 573965278 /nfs/dbraw/zinc/96/52/78/573965278.db2.gz RVYREHBKFJVHFG-SFYZADRCSA-N -1 3 193.250 1.814 10 0 ADAEHM O=C(Cc1cccs1)c1cnn[n-]1 87598759 573966316 /nfs/dbraw/zinc/96/63/16/573966316.db2.gz GKHGRMSJFKDBMQ-UHFFFAOYSA-N -1 3 193.231 1.292 10 0 ADAEHM O=C(Cc1cccs1)c1c[n-]nn1 87598759 573966321 /nfs/dbraw/zinc/96/63/21/573966321.db2.gz GKHGRMSJFKDBMQ-UHFFFAOYSA-N -1 3 193.231 1.292 10 0 ADAEHM O=C(Cc1cccs1)c1cn[n-]n1 87598759 573966325 /nfs/dbraw/zinc/96/63/25/573966325.db2.gz GKHGRMSJFKDBMQ-UHFFFAOYSA-N -1 3 193.231 1.292 10 0 ADAEHM Cc1ccc(C(=O)c2cnn[n-]2)s1 87598449 573966587 /nfs/dbraw/zinc/96/65/87/573966587.db2.gz JGPLUSDXDNJGKS-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1ccc(C(=O)c2c[n-]nn2)s1 87598449 573966588 /nfs/dbraw/zinc/96/65/88/573966588.db2.gz JGPLUSDXDNJGKS-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1ccc(C(=O)c2cn[n-]n2)s1 87598449 573966592 /nfs/dbraw/zinc/96/65/92/573966592.db2.gz JGPLUSDXDNJGKS-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1ccsc1C(=O)c1cnn[n-]1 87598838 573966679 /nfs/dbraw/zinc/96/66/79/573966679.db2.gz FZWPIOOQPFKSEK-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1ccsc1C(=O)c1c[n-]nn1 87598838 573966683 /nfs/dbraw/zinc/96/66/83/573966683.db2.gz FZWPIOOQPFKSEK-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1ccsc1C(=O)c1cn[n-]n1 87598838 573966689 /nfs/dbraw/zinc/96/66/89/573966689.db2.gz FZWPIOOQPFKSEK-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Clc1nnc(-c2cscn2)[n-]1 87596531 573966813 /nfs/dbraw/zinc/96/68/13/573966813.db2.gz LZEHONZEKPIJHK-UHFFFAOYSA-N -1 3 186.627 1.582 10 0 ADAEHM Clc1nc(-c2cscn2)n[n-]1 87596531 573966818 /nfs/dbraw/zinc/96/68/18/573966818.db2.gz LZEHONZEKPIJHK-UHFFFAOYSA-N -1 3 186.627 1.582 10 0 ADAEHM Clc1n[n-]c(-c2cscn2)n1 87596531 573966825 /nfs/dbraw/zinc/96/68/25/573966825.db2.gz LZEHONZEKPIJHK-UHFFFAOYSA-N -1 3 186.627 1.582 10 0 ADAEHM Cc1cc(Cl)nc(-c2cnn[n-]2)n1 87598318 573966927 /nfs/dbraw/zinc/96/69/27/573966927.db2.gz JFSUWOLEMDJTOB-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1cc(Cl)nc(-c2c[n-]nn2)n1 87598318 573966932 /nfs/dbraw/zinc/96/69/32/573966932.db2.gz JFSUWOLEMDJTOB-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1cc(Cl)nc(-c2cn[n-]n2)n1 87598318 573966938 /nfs/dbraw/zinc/96/69/38/573966938.db2.gz JFSUWOLEMDJTOB-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1ccccc1C(=O)c1cnn[n-]1 87598765 573966947 /nfs/dbraw/zinc/96/69/47/573966947.db2.gz ZKNQASTUGYCBMN-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1ccccc1C(=O)c1c[n-]nn1 87598765 573966954 /nfs/dbraw/zinc/96/69/54/573966954.db2.gz ZKNQASTUGYCBMN-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1ccccc1C(=O)c1cn[n-]n1 87598765 573966957 /nfs/dbraw/zinc/96/69/57/573966957.db2.gz ZKNQASTUGYCBMN-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM COc1ccc([C@@H](C)O)c([O-])c1F 258192037 573967213 /nfs/dbraw/zinc/96/72/13/573967213.db2.gz XOBIOQFCSXFZKI-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM CC[C@@H](C)CC(=O)c1cnn[n-]1 87598446 573968276 /nfs/dbraw/zinc/96/82/76/573968276.db2.gz ODXABDGKQICJBB-ZCFIWIBFSA-N -1 3 167.212 1.424 10 0 ADAEHM CC[C@@H](C)CC(=O)c1c[n-]nn1 87598446 573968279 /nfs/dbraw/zinc/96/82/79/573968279.db2.gz ODXABDGKQICJBB-ZCFIWIBFSA-N -1 3 167.212 1.424 10 0 ADAEHM CC[C@@H](C)CC(=O)c1cn[n-]n1 87598446 573968283 /nfs/dbraw/zinc/96/82/83/573968283.db2.gz ODXABDGKQICJBB-ZCFIWIBFSA-N -1 3 167.212 1.424 10 0 ADAEHM O=C(c1ccsc1)c1cnn[n-]1 87598592 573968370 /nfs/dbraw/zinc/96/83/70/573968370.db2.gz VFAXSLPPNDKZLF-UHFFFAOYSA-N -1 3 179.204 1.097 10 0 ADAEHM O=C(c1ccsc1)c1c[n-]nn1 87598592 573968374 /nfs/dbraw/zinc/96/83/74/573968374.db2.gz VFAXSLPPNDKZLF-UHFFFAOYSA-N -1 3 179.204 1.097 10 0 ADAEHM O=C(c1ccsc1)c1cn[n-]n1 87598592 573968377 /nfs/dbraw/zinc/96/83/77/573968377.db2.gz VFAXSLPPNDKZLF-UHFFFAOYSA-N -1 3 179.204 1.097 10 0 ADAEHM C[C@@H]1CCC[C@@H](C(=O)c2cnn[n-]2)C1 87598714 573968395 /nfs/dbraw/zinc/96/83/95/573968395.db2.gz RVYREHBKFJVHFG-HTQZYQBOSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@@H]1CCC[C@@H](C(=O)c2c[n-]nn2)C1 87598714 573968399 /nfs/dbraw/zinc/96/83/99/573968399.db2.gz RVYREHBKFJVHFG-HTQZYQBOSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@@H]1CCC[C@@H](C(=O)c2cn[n-]n2)C1 87598714 573968402 /nfs/dbraw/zinc/96/84/02/573968402.db2.gz RVYREHBKFJVHFG-HTQZYQBOSA-N -1 3 193.250 1.814 10 0 ADAEHM Cc1cccc(C(=O)c2cnn[n-]2)c1 87598555 573968430 /nfs/dbraw/zinc/96/84/30/573968430.db2.gz QGDIZLOHEUVVRS-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1cccc(C(=O)c2c[n-]nn2)c1 87598555 573968434 /nfs/dbraw/zinc/96/84/34/573968434.db2.gz QGDIZLOHEUVVRS-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1cccc(C(=O)c2cn[n-]n2)c1 87598555 573968437 /nfs/dbraw/zinc/96/84/37/573968437.db2.gz QGDIZLOHEUVVRS-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1ccc(C(=O)c2cnn[n-]2)cc1 87598689 573968513 /nfs/dbraw/zinc/96/85/13/573968513.db2.gz FDFAXDABNXRJOQ-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1ccc(C(=O)c2c[n-]nn2)cc1 87598689 573968515 /nfs/dbraw/zinc/96/85/15/573968515.db2.gz FDFAXDABNXRJOQ-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM Cc1ccc(C(=O)c2cn[n-]n2)cc1 87598689 573968516 /nfs/dbraw/zinc/96/85/16/573968516.db2.gz FDFAXDABNXRJOQ-UHFFFAOYSA-N -1 3 187.202 1.344 10 0 ADAEHM CC[C@H](C)C(=O)c1cnn[n-]1 87598781 573968522 /nfs/dbraw/zinc/96/85/22/573968522.db2.gz VKUAFSMBOZSRKU-YFKPBYRVSA-N -1 3 153.185 1.034 10 0 ADAEHM CC[C@H](C)C(=O)c1c[n-]nn1 87598781 573968526 /nfs/dbraw/zinc/96/85/26/573968526.db2.gz VKUAFSMBOZSRKU-YFKPBYRVSA-N -1 3 153.185 1.034 10 0 ADAEHM CC[C@H](C)C(=O)c1cn[n-]n1 87598781 573968529 /nfs/dbraw/zinc/96/85/29/573968529.db2.gz VKUAFSMBOZSRKU-YFKPBYRVSA-N -1 3 153.185 1.034 10 0 ADAEHM O=C(c1cnn[n-]1)c1cccs1 87598775 573968649 /nfs/dbraw/zinc/96/86/49/573968649.db2.gz VBIBPGNOHRGVRR-UHFFFAOYSA-N -1 3 179.204 1.097 10 0 ADAEHM O=C(c1c[n-]nn1)c1cccs1 87598775 573968653 /nfs/dbraw/zinc/96/86/53/573968653.db2.gz VBIBPGNOHRGVRR-UHFFFAOYSA-N -1 3 179.204 1.097 10 0 ADAEHM O=C(c1cn[n-]n1)c1cccs1 87598775 573968655 /nfs/dbraw/zinc/96/86/55/573968655.db2.gz VBIBPGNOHRGVRR-UHFFFAOYSA-N -1 3 179.204 1.097 10 0 ADAEHM O=C(CC1CCC1)c1cnn[n-]1 87598685 573968661 /nfs/dbraw/zinc/96/86/61/573968661.db2.gz UANZSQWEIILCRU-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(CC1CCC1)c1c[n-]nn1 87598685 573968664 /nfs/dbraw/zinc/96/86/64/573968664.db2.gz UANZSQWEIILCRU-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(CC1CCC1)c1cn[n-]n1 87598685 573968665 /nfs/dbraw/zinc/96/86/65/573968665.db2.gz UANZSQWEIILCRU-UHFFFAOYSA-N -1 3 165.196 1.178 10 0 ADAEHM O=C(CC1CCCC1)c1cnn[n-]1 87598483 573968808 /nfs/dbraw/zinc/96/88/08/573968808.db2.gz VCCUHAPQIOJDSR-UHFFFAOYSA-N -1 3 179.223 1.568 10 0 ADAEHM O=C(CC1CCCC1)c1c[n-]nn1 87598483 573968814 /nfs/dbraw/zinc/96/88/14/573968814.db2.gz VCCUHAPQIOJDSR-UHFFFAOYSA-N -1 3 179.223 1.568 10 0 ADAEHM O=C(CC1CCCC1)c1cn[n-]n1 87598483 573968819 /nfs/dbraw/zinc/96/88/19/573968819.db2.gz VCCUHAPQIOJDSR-UHFFFAOYSA-N -1 3 179.223 1.568 10 0 ADAEHM CC(C)CC(=O)c1cnn[n-]1 87598435 573968957 /nfs/dbraw/zinc/96/89/57/573968957.db2.gz YFTJBJBJSRMUQP-UHFFFAOYSA-N -1 3 153.185 1.034 10 0 ADAEHM CC(C)CC(=O)c1c[n-]nn1 87598435 573968958 /nfs/dbraw/zinc/96/89/58/573968958.db2.gz YFTJBJBJSRMUQP-UHFFFAOYSA-N -1 3 153.185 1.034 10 0 ADAEHM CC(C)CC(=O)c1cn[n-]n1 87598435 573968961 /nfs/dbraw/zinc/96/89/61/573968961.db2.gz YFTJBJBJSRMUQP-UHFFFAOYSA-N -1 3 153.185 1.034 10 0 ADAEHM CCCCC(=O)c1cnn[n-]1 87598602 573968974 /nfs/dbraw/zinc/96/89/74/573968974.db2.gz MEWVZTHEGZBUCK-UHFFFAOYSA-N -1 3 153.185 1.178 10 0 ADAEHM CCCCC(=O)c1c[n-]nn1 87598602 573968978 /nfs/dbraw/zinc/96/89/78/573968978.db2.gz MEWVZTHEGZBUCK-UHFFFAOYSA-N -1 3 153.185 1.178 10 0 ADAEHM CCCCC(=O)c1cn[n-]n1 87598602 573968984 /nfs/dbraw/zinc/96/89/84/573968984.db2.gz MEWVZTHEGZBUCK-UHFFFAOYSA-N -1 3 153.185 1.178 10 0 ADAEHM Cc1ccncc1-c1nccc(=O)[n-]1 123258391 573971670 /nfs/dbraw/zinc/97/16/70/573971670.db2.gz VAQMIYZXHQDUFZ-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM CC1=C([O-])[C@@H](C(C)C)CCC1=O 238228576 573971841 /nfs/dbraw/zinc/97/18/41/573971841.db2.gz ZSDVNXKLUXQPOP-JGVFFNPUSA-N -1 3 168.236 1.827 10 0 ADAEHM CC1=C([O-])CC[C@H](C(C)C)C1=O 238228576 573971844 /nfs/dbraw/zinc/97/18/44/573971844.db2.gz ZSDVNXKLUXQPOP-JGVFFNPUSA-N -1 3 168.236 1.827 10 0 ADAEHM CC1=C([O-])[C@@H](C(C)C)CCC1=O 238228436 573971889 /nfs/dbraw/zinc/97/18/89/573971889.db2.gz ZSDVNXKLUXQPOP-HTQZYQBOSA-N -1 3 168.236 1.827 10 0 ADAEHM CC1=C([O-])CC[C@H](C(C)C)C1=O 238228436 573971891 /nfs/dbraw/zinc/97/18/91/573971891.db2.gz ZSDVNXKLUXQPOP-HTQZYQBOSA-N -1 3 168.236 1.827 10 0 ADAEHM O=Cc1ccc(OC(F)F)cc1[O-] 198628727 573972951 /nfs/dbraw/zinc/97/29/51/573972951.db2.gz ODDJXVFUVBEFIV-UHFFFAOYSA-N -1 3 188.129 1.806 10 0 ADAEHM [O-]c1ccc(F)c(-c2c[nH]cn2)c1 104398691 573973100 /nfs/dbraw/zinc/97/31/00/573973100.db2.gz KZCOOTUOZYRBKE-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM COc1cccc([O-])c1-c1ncc[nH]1 104397024 573974659 /nfs/dbraw/zinc/97/46/59/573974659.db2.gz XQKCCBMYTGDRJE-UHFFFAOYSA-N -1 3 190.202 1.791 10 0 ADAEHM CC(=O)c1csc(-c2cn[n-]n2)n1 87601292 573973393 /nfs/dbraw/zinc/97/33/93/573973393.db2.gz VPGVFFVUHLHDIJ-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM Cc1cccc2c1CC[C@]2(N)C(=O)[O-] 104397861 573973504 /nfs/dbraw/zinc/97/35/04/573973504.db2.gz PKWJHWQIUVBFLO-LLVKDONJSA-N -1 3 191.230 1.180 10 0 ADAEHM CC(=O)c1cnc(-c2cn[n-]n2)s1 87601290 573974288 /nfs/dbraw/zinc/97/42/88/573974288.db2.gz ICBFPTMQTGVQGU-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CCC1(C)CC(=O)C(C)=C([O-])C1 238221853 573977754 /nfs/dbraw/zinc/97/77/54/573977754.db2.gz BNBGSKWHACXSFU-UHFFFAOYSA-N -1 3 168.236 1.971 10 0 ADAEHM CCCCOC([S-])=NC(C)=O 238221556 573978782 /nfs/dbraw/zinc/97/87/82/573978782.db2.gz XOICROKFDISHJI-UHFFFAOYSA-N -1 3 175.253 1.224 10 0 ADAEHM CCCCOC(=S)[N-]C(C)=O 238221556 573978787 /nfs/dbraw/zinc/97/87/87/573978787.db2.gz XOICROKFDISHJI-UHFFFAOYSA-N -1 3 175.253 1.224 10 0 ADAEHM [O-]c1ccc(-c2ncc[nH]2)cc1F 104400335 573979090 /nfs/dbraw/zinc/97/90/90/573979090.db2.gz WEKOWEJAFWNWBF-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM CCc1cccc([C@@](C)(N)C(=O)[O-])c1 104399879 573979190 /nfs/dbraw/zinc/97/91/90/573979190.db2.gz TXLQHNZQSFATQA-LLVKDONJSA-N -1 3 193.246 1.508 10 0 ADAEHM CC1(C)CCS[C@@H](CC(=O)[O-])N1 238222628 573980624 /nfs/dbraw/zinc/98/06/24/573980624.db2.gz ITXPOEHRTABQPY-LURJTMIESA-N -1 3 189.280 1.292 10 0 ADAEHM CC1(C)CCS[C@H](CC(=O)[O-])N1 238222671 573980766 /nfs/dbraw/zinc/98/07/66/573980766.db2.gz ITXPOEHRTABQPY-ZCFIWIBFSA-N -1 3 189.280 1.292 10 0 ADAEHM CC1(C)CC[C@@H](C(=O)[O-])NCS1 238222993 573981763 /nfs/dbraw/zinc/98/17/63/573981763.db2.gz QBJCBSHFMUCPBV-LURJTMIESA-N -1 3 189.280 1.292 10 0 ADAEHM Cc1cc(O)c(CO)c([O-])c1Cl 104454628 573981975 /nfs/dbraw/zinc/98/19/75/573981975.db2.gz NLQGANSPVNOFGC-UHFFFAOYSA-N -1 3 188.610 1.552 10 0 ADAEHM CCC1(CC)C=NC(=O)[N-]C1=O 238223984 573982089 /nfs/dbraw/zinc/98/20/89/573982089.db2.gz MXGGICWNCNHWDD-UHFFFAOYSA-N -1 3 168.196 1.113 10 0 ADAEHM CCC1(CC)C(=O)[N-]C(=O)N=C1OC 238223280 573982180 /nfs/dbraw/zinc/98/21/80/573982180.db2.gz SWNFRQIDWYYLLV-UHFFFAOYSA-N -1 3 198.222 1.088 10 0 ADAEHM CCCc1nnc(=S)[n-]c1CCC 238224241 573982190 /nfs/dbraw/zinc/98/21/90/573982190.db2.gz GADRAGMZPYFBEF-FNORWQNLSA-N -1 3 197.307 1.914 10 0 ADAEHM NC(=O)N([O-])[C@H]1CCCc2occc21 74242605 573983121 /nfs/dbraw/zinc/98/31/21/573983121.db2.gz KSVRGVXRLXKFAS-ZETCQYMHSA-N -1 3 196.206 1.427 10 0 ADAEHM CCCCc1n[n-]c(=S)[nH]c1=O 82071866 573985807 /nfs/dbraw/zinc/98/58/07/573985807.db2.gz MSHIWFNEFUCYMM-UHFFFAOYSA-N -1 3 185.252 1.170 10 0 ADAEHM CC1=CC(C)(C)Oc2nc(=O)[n-]cc21 238224464 573985790 /nfs/dbraw/zinc/98/57/90/573985790.db2.gz CFLZTHMXLCYDJQ-UHFFFAOYSA-N -1 3 192.218 1.344 10 0 ADAEHM CC[C@@]1(C)N[C@H](C(=O)[O-])CCS1 87606631 573986759 /nfs/dbraw/zinc/98/67/59/573986759.db2.gz HSVJMFJSZIKWDN-XPUUQOCRSA-N -1 3 189.280 1.292 10 0 ADAEHM CC1(C)CC[C@H](C(=O)[O-])NCS1 238225903 573986986 /nfs/dbraw/zinc/98/69/86/573986986.db2.gz QBJCBSHFMUCPBV-ZCFIWIBFSA-N -1 3 189.280 1.292 10 0 ADAEHM CC[C@]1(C)N[C@H](C(=O)[O-])CCS1 87606630 573987846 /nfs/dbraw/zinc/98/78/46/573987846.db2.gz HSVJMFJSZIKWDN-POYBYMJQSA-N -1 3 189.280 1.292 10 0 ADAEHM Nc1cc(-c2ccc(O)cc2[O-])on1 258196550 573987965 /nfs/dbraw/zinc/98/79/65/573987965.db2.gz XZDOIJPNCPJCGL-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM O=C([O-])[C@H]1CCSC2(CCC2)N1 87606498 573988340 /nfs/dbraw/zinc/98/83/40/573988340.db2.gz VCBRIDYDRAXURD-ZCFIWIBFSA-N -1 3 187.264 1.046 10 0 ADAEHM O=C([O-])c1ccc([C@H]2CCN2)o1 104455395 573988479 /nfs/dbraw/zinc/98/84/79/573988479.db2.gz MEEDGJRYNOCOBF-RXMQYKEDSA-N -1 3 167.164 1.012 10 0 ADAEHM [O-]C(=CC1=NCCO1)c1ccccn1 259259945 573988499 /nfs/dbraw/zinc/98/84/99/573988499.db2.gz QJWGLMRTSXWALA-UHFFFAOYSA-N -1 3 190.202 1.083 10 0 ADAEHM CC[C@@]1(C)N[C@@H](C(=O)[O-])CCS1 87606633 573988842 /nfs/dbraw/zinc/98/88/42/573988842.db2.gz HSVJMFJSZIKWDN-SVRRBLITSA-N -1 3 189.280 1.292 10 0 ADAEHM CC[C@]1(C)N[C@@H](C(=O)[O-])CCS1 87606632 573988954 /nfs/dbraw/zinc/98/89/54/573988954.db2.gz HSVJMFJSZIKWDN-HTRCEHHLSA-N -1 3 189.280 1.292 10 0 ADAEHM O=C1CCc2c([O-])ccc(F)c21 104467096 573991761 /nfs/dbraw/zinc/99/17/61/573991761.db2.gz PMWMVHUPRPELJU-UHFFFAOYSA-N -1 3 166.151 1.660 10 0 ADAEHM C[C@@H]1Sc2cccc([O-])c2NC1=O 259262612 573994315 /nfs/dbraw/zinc/99/43/15/573994315.db2.gz OMROIVRMSBNZKJ-YFKPBYRVSA-N -1 3 195.243 1.825 10 0 ADAEHM COC[C@@H](N)c1cccc(C(=O)[O-])c1 104474629 573996320 /nfs/dbraw/zinc/99/63/20/573996320.db2.gz YOJJIMOHCYGHSA-SECBINFHSA-N -1 3 195.218 1.031 10 0 ADAEHM CCC(CC)CC(=O)c1cnn[n-]1 127925821 573996458 /nfs/dbraw/zinc/99/64/58/573996458.db2.gz ZCRHZHOFPSRJHJ-UHFFFAOYSA-N -1 3 181.239 1.814 10 0 ADAEHM CCC(CC)CC(=O)c1c[n-]nn1 127925821 573996462 /nfs/dbraw/zinc/99/64/62/573996462.db2.gz ZCRHZHOFPSRJHJ-UHFFFAOYSA-N -1 3 181.239 1.814 10 0 ADAEHM CCC(CC)CC(=O)c1cn[n-]n1 127925821 573996467 /nfs/dbraw/zinc/99/64/67/573996467.db2.gz ZCRHZHOFPSRJHJ-UHFFFAOYSA-N -1 3 181.239 1.814 10 0 ADAEHM O=C(c1ccc([O-])cc1)n1cccn1 82259973 573996509 /nfs/dbraw/zinc/99/65/09/573996509.db2.gz QAGHHJFHOSJCCX-UHFFFAOYSA-N -1 3 188.186 1.277 10 0 ADAEHM CCCc1noc2nc(C)[n-]c(=O)c12 238234434 573996517 /nfs/dbraw/zinc/99/65/17/573996517.db2.gz RXAFIRMTVVICSR-UHFFFAOYSA-N -1 3 193.206 1.172 10 0 ADAEHM O=C(c1cccc([O-])c1)n1cccn1 82260026 573996698 /nfs/dbraw/zinc/99/66/98/573996698.db2.gz JLMYSGPDRQZEAN-UHFFFAOYSA-N -1 3 188.186 1.277 10 0 ADAEHM CCc1ccc(O)cc1[C@@H](N)C(=O)[O-] 104476334 573999187 /nfs/dbraw/zinc/99/91/87/573999187.db2.gz ACHKEBBWEYBOQS-SECBINFHSA-N -1 3 195.218 1.039 10 0 ADAEHM O=C([O-])c1ccc([C@@H]2CCCCN2)o1 104480111 573999640 /nfs/dbraw/zinc/99/96/40/573999640.db2.gz ZCZLPSDPANRNNQ-ZETCQYMHSA-N -1 3 195.218 1.792 10 0 ADAEHM COc1cccc(C)c1[C@H](N)C(=O)[O-] 104482959 573999730 /nfs/dbraw/zinc/99/97/30/573999730.db2.gz MOZDIGOCJNPRLY-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM Cc1ccc(C[N-]c2nnns2)o1 259266237 574000075 /nfs/dbraw/zinc/00/00/75/574000075.db2.gz ZNCVOWKOUMFEQX-UHFFFAOYSA-N -1 3 196.235 1.447 10 0 ADAEHM N[C@H]1COc2c1cc([O-])c(F)c2F 104488098 574003273 /nfs/dbraw/zinc/00/32/73/574003273.db2.gz NAVSITCUJYHDSX-BYPYZUCNSA-N -1 3 187.145 1.063 10 0 ADAEHM Cc1ccc([C@H](N)C(C)(C)C(=O)[O-])o1 104488739 574003292 /nfs/dbraw/zinc/00/32/92/574003292.db2.gz QCGCNPYRDATMFQ-QMMMGPOBSA-N -1 3 197.234 1.699 10 0 ADAEHM CCc1c(F)cccc1[C@H](N)C(=O)[O-] 104485637 574004602 /nfs/dbraw/zinc/00/46/02/574004602.db2.gz PHAVSIKLATXDLR-VIFPVBQESA-N -1 3 197.209 1.473 10 0 ADAEHM Cc1cc([C@@](C)(N)CC(=O)[O-])oc1C 104488797 574004637 /nfs/dbraw/zinc/00/46/37/574004637.db2.gz UVBHIAMJRBTRHB-JTQLQIEISA-N -1 3 197.234 1.545 10 0 ADAEHM N[C@H]1COc2c1cc(F)c([O-])c2F 104488111 574006672 /nfs/dbraw/zinc/00/66/72/574006672.db2.gz QEOLRYONQQOBNJ-YFKPBYRVSA-N -1 3 187.145 1.063 10 0 ADAEHM N[C@@H]1COc2c1ccc([O-])c2Cl 104487975 574006037 /nfs/dbraw/zinc/00/60/37/574006037.db2.gz HWIHMXWYXBBTIW-RXMQYKEDSA-N -1 3 185.610 1.438 10 0 ADAEHM CCC(=O)c1cc(C(C)=O)n[n-]1 238239772 574006145 /nfs/dbraw/zinc/00/61/45/574006145.db2.gz ROVSOVLKCXZPGG-UHFFFAOYSA-N -1 3 166.180 1.205 10 0 ADAEHM CCC(=O)c1cc(C(C)=O)[n-]n1 238239772 574006148 /nfs/dbraw/zinc/00/61/48/574006148.db2.gz ROVSOVLKCXZPGG-UHFFFAOYSA-N -1 3 166.180 1.205 10 0 ADAEHM N[C@H]1COc2c1cc(F)c(F)c2[O-] 104488104 574006200 /nfs/dbraw/zinc/00/62/00/574006200.db2.gz SWLXSFVXDNQNMS-YFKPBYRVSA-N -1 3 187.145 1.063 10 0 ADAEHM CC1=CC[C@H]2C(=O)C=C([O-])[C@@H]2C1 238239202 574006472 /nfs/dbraw/zinc/00/64/72/574006472.db2.gz HUNIRQRYEQGOSJ-HTQZYQBOSA-N -1 3 164.204 1.501 10 0 ADAEHM N[C@H]1COc2c1ccc([O-])c2Cl 104486520 574006662 /nfs/dbraw/zinc/00/66/62/574006662.db2.gz HWIHMXWYXBBTIW-YFKPBYRVSA-N -1 3 185.610 1.438 10 0 ADAEHM Cc1c(F)cccc1[C@@](C)(N)C(=O)[O-] 104492045 574009063 /nfs/dbraw/zinc/00/90/63/574009063.db2.gz BDWNSYHAUVGTHK-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM Cc1cc([N-]C(=O)c2cnoc2)no1 82339307 574009095 /nfs/dbraw/zinc/00/90/95/574009095.db2.gz USIZINKCZHXGRF-UHFFFAOYSA-N -1 3 193.162 1.223 10 0 ADAEHM CC(=O)[C@H](N)c1ccc([O-])cc1Cl 104492588 574009155 /nfs/dbraw/zinc/00/91/55/574009155.db2.gz NFJHUSMLZUQJTA-VIFPVBQESA-N -1 3 199.637 1.634 10 0 ADAEHM Cc1ccc(CC2(O)CC2)c([O-])c1F 258201158 574008816 /nfs/dbraw/zinc/00/88/16/574008816.db2.gz YMGJKJSXFWKZKL-UHFFFAOYSA-N -1 3 196.221 1.907 10 0 ADAEHM Cc1cccc(F)c1[C@](C)(N)C(=O)[O-] 104493540 574008847 /nfs/dbraw/zinc/00/88/47/574008847.db2.gz RLKAHFCPEPHROA-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM N[C@@H]1COc2c1cc(F)c(F)c2[O-] 104489666 574008873 /nfs/dbraw/zinc/00/88/73/574008873.db2.gz SWLXSFVXDNQNMS-RXMQYKEDSA-N -1 3 187.145 1.063 10 0 ADAEHM Cc1cc(F)c(CN)cc1C(=O)[O-] 258203367 574008893 /nfs/dbraw/zinc/00/88/93/574008893.db2.gz YRHKFLUVLYFCJZ-UHFFFAOYSA-N -1 3 183.182 1.291 10 0 ADAEHM O=C1C=C([O-])C2CCC1CC2 111349509 574009980 /nfs/dbraw/zinc/00/99/80/574009980.db2.gz CKLWGLBZLKGUPY-UHFFFAOYSA-N -1 3 152.193 1.335 10 0 ADAEHM Cc1c(F)cc([O-])c(F)c1[C@@H](C)N 104489685 574010012 /nfs/dbraw/zinc/01/00/12/574010012.db2.gz BCQRWALSLTYLOT-RXMQYKEDSA-N -1 3 187.189 1.999 10 0 ADAEHM Cc1c(F)cc([O-])c(F)c1[C@H](C)N 104489690 574010067 /nfs/dbraw/zinc/01/00/67/574010067.db2.gz BCQRWALSLTYLOT-YFKPBYRVSA-N -1 3 187.189 1.999 10 0 ADAEHM CCCC[C@@H]1CC(=O)C=C1[O-] 111343862 574010084 /nfs/dbraw/zinc/01/00/84/574010084.db2.gz UDVQUWZQMOBAGE-SSDOTTSWSA-N -1 3 154.209 1.725 10 0 ADAEHM Cc1cc(F)ccc1[C@](C)(N)C(=O)[O-] 104492053 574010150 /nfs/dbraw/zinc/01/01/50/574010150.db2.gz WKGFQCSBOTXJTB-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM CCCC[C@H]1CC(=O)C=C1[O-] 111343863 574010516 /nfs/dbraw/zinc/01/05/16/574010516.db2.gz UDVQUWZQMOBAGE-ZETCQYMHSA-N -1 3 154.209 1.725 10 0 ADAEHM Cc1csc([C@@](C)(N)C(=O)[O-])c1 104491268 574010730 /nfs/dbraw/zinc/01/07/30/574010730.db2.gz SPSMLNHSFATMGL-MRVPVSSYSA-N -1 3 185.248 1.315 10 0 ADAEHM CSc1ccccc1[C@@H](N)C(=O)[O-] 104493632 574010566 /nfs/dbraw/zinc/01/05/66/574010566.db2.gz XLFWPOYEJYUFBL-MRVPVSSYSA-N -1 3 197.259 1.493 10 0 ADAEHM CCCC(=S)[N-]C(=O)OCC 238247379 574010568 /nfs/dbraw/zinc/01/05/68/574010568.db2.gz YCMMAIRWRGIQJE-UHFFFAOYSA-N -1 3 175.253 1.860 10 0 ADAEHM [O-]c1cc(F)cc([C@@H]2COCCN2)c1 104494889 574012435 /nfs/dbraw/zinc/01/24/35/574012435.db2.gz IBLHZGPWHRQBEF-JTQLQIEISA-N -1 3 197.209 1.192 10 0 ADAEHM CCc1cc(F)ccc1[C@H](N)C(=O)[O-] 104496249 574012579 /nfs/dbraw/zinc/01/25/79/574012579.db2.gz RPGZQWNFEWMVSE-VIFPVBQESA-N -1 3 197.209 1.473 10 0 ADAEHM CCc1cccc(F)c1[C@@H](N)C(=O)[O-] 104498608 574013723 /nfs/dbraw/zinc/01/37/23/574013723.db2.gz QITCAUAWLWGPOB-SECBINFHSA-N -1 3 197.209 1.473 10 0 ADAEHM CCc1ccc(F)cc1[C@@H](N)C(=O)[O-] 104496242 574014015 /nfs/dbraw/zinc/01/40/15/574014015.db2.gz AXPGDWVPVGYAJD-SECBINFHSA-N -1 3 197.209 1.473 10 0 ADAEHM Cc1ccc([C@@](C)(N)C(=O)[O-])s1 104502240 574015851 /nfs/dbraw/zinc/01/58/51/574015851.db2.gz ASNUXOWZPQLDAW-MRVPVSSYSA-N -1 3 185.248 1.315 10 0 ADAEHM Cc1ccc2c(c1)CC[C@]2(N)C(=O)[O-] 104502639 574015878 /nfs/dbraw/zinc/01/58/78/574015878.db2.gz WUXNFUYQZRUKPR-LLVKDONJSA-N -1 3 191.230 1.180 10 0 ADAEHM Cc1cccc2c1[C@](N)(C(=O)[O-])CC2 104502661 574016124 /nfs/dbraw/zinc/01/61/24/574016124.db2.gz BSQJHQGQHIRCNJ-NSHDSACASA-N -1 3 191.230 1.180 10 0 ADAEHM Cc1cccc2c1[C@@](N)(C(=O)[O-])CC2 104502667 574017046 /nfs/dbraw/zinc/01/70/46/574017046.db2.gz BSQJHQGQHIRCNJ-LLVKDONJSA-N -1 3 191.230 1.180 10 0 ADAEHM CN(C)CC(=O)c1c([O-])cccc1F 104503863 574017058 /nfs/dbraw/zinc/01/70/58/574017058.db2.gz TXUADEAXFJJHQP-UHFFFAOYSA-N -1 3 197.209 1.276 10 0 ADAEHM O=c1ccnc([C@H]2CCCS2)[n-]1 87700660 574017330 /nfs/dbraw/zinc/01/73/30/574017330.db2.gz QLAJTBZTTZIDDF-ZCFIWIBFSA-N -1 3 182.248 1.338 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2CCCS2)n1 87700624 574017477 /nfs/dbraw/zinc/01/74/77/574017477.db2.gz ZPKQKZXCJXCIIQ-SSDOTTSWSA-N -1 3 196.275 1.646 10 0 ADAEHM C[C@@](N)(C(=O)[O-])c1ccsc1 104506433 574019212 /nfs/dbraw/zinc/01/92/12/574019212.db2.gz ONTACQLSDXBILH-ZETCQYMHSA-N -1 3 171.221 1.007 10 0 ADAEHM COc1c([O-])cc(F)c2c1C(=O)CC2 104508753 574021012 /nfs/dbraw/zinc/02/10/12/574021012.db2.gz DMFUADOBYHMPIW-UHFFFAOYSA-N -1 3 196.177 1.669 10 0 ADAEHM N[C@@H]1CCc2cc(F)c([O-])c(F)c21 104512468 574023164 /nfs/dbraw/zinc/02/31/64/574023164.db2.gz FGHWIJWSZSYPST-ZCFIWIBFSA-N -1 3 185.173 1.616 10 0 ADAEHM N[C@@H](c1cc(C(=O)[O-])ccn1)C1CC1 104521791 574024859 /nfs/dbraw/zinc/02/48/59/574024859.db2.gz AUBOFOBIIWHHPX-SECBINFHSA-N -1 3 192.218 1.190 10 0 ADAEHM N[C@@H](c1ncccc1C(=O)[O-])C1CC1 104523044 574024228 /nfs/dbraw/zinc/02/42/28/574024228.db2.gz VDPCPRSVXMEFEF-MRVPVSSYSA-N -1 3 192.218 1.190 10 0 ADAEHM CCc1ccccc1[C@](C)(N)C(=O)[O-] 104523570 574024302 /nfs/dbraw/zinc/02/43/02/574024302.db2.gz AZHYKZPBXVRKKA-NSHDSACASA-N -1 3 193.246 1.508 10 0 ADAEHM CN[C@H](C)c1ccc(C(=O)[O-])o1 104521908 574024441 /nfs/dbraw/zinc/02/44/41/574024441.db2.gz WZAHAOICKDLHPF-RXMQYKEDSA-N -1 3 169.180 1.258 10 0 ADAEHM CC[C@@H](N)c1cc(C(=O)[O-])ccn1 104517834 574024835 /nfs/dbraw/zinc/02/48/35/574024835.db2.gz JZQAKUIFPDOGOC-SSDOTTSWSA-N -1 3 180.207 1.190 10 0 ADAEHM CC(C)[C@@H](N)c1ccc(C(=O)[O-])cn1 104523616 574024695 /nfs/dbraw/zinc/02/46/95/574024695.db2.gz KUFKFZHQYYQKAU-SECBINFHSA-N -1 3 194.234 1.436 10 0 ADAEHM CC(C)[C@@H](N)c1ncccc1C(=O)[O-] 104524026 574024753 /nfs/dbraw/zinc/02/47/53/574024753.db2.gz BNGOLDPESKSHDS-MRVPVSSYSA-N -1 3 194.234 1.436 10 0 ADAEHM N[C@@H](c1cccc(C(=O)[O-])n1)C1CC1 104521266 574024768 /nfs/dbraw/zinc/02/47/68/574024768.db2.gz KUWVZLUHYFOKOZ-SECBINFHSA-N -1 3 192.218 1.190 10 0 ADAEHM CC[C@@H](N)c1ccc(C(=O)[O-])cn1 104519127 574024803 /nfs/dbraw/zinc/02/48/03/574024803.db2.gz QWYJKJFPCQCKNB-SSDOTTSWSA-N -1 3 180.207 1.190 10 0 ADAEHM O=c1cc(Cc2cccc(F)c2)[n-][nH]1 104523309 574025779 /nfs/dbraw/zinc/02/57/79/574025779.db2.gz WBAVAZGXKLQOMU-UHFFFAOYSA-N -1 3 192.193 1.845 10 0 ADAEHM N[C@@H](c1ccc(C(=O)[O-])cn1)C1CC1 104522404 574025793 /nfs/dbraw/zinc/02/57/93/574025793.db2.gz GIONBDYFESIOGY-SECBINFHSA-N -1 3 192.218 1.190 10 0 ADAEHM CC[C@@H](N)c1cccc(C(=O)[O-])n1 104517097 574025819 /nfs/dbraw/zinc/02/58/19/574025819.db2.gz BNTDMOYUWITUGC-ZCFIWIBFSA-N -1 3 180.207 1.190 10 0 ADAEHM CC[C@@H](N)c1ncccc1C(=O)[O-] 104519913 574026381 /nfs/dbraw/zinc/02/63/81/574026381.db2.gz SASSQPJHNPJMSX-SSDOTTSWSA-N -1 3 180.207 1.190 10 0 ADAEHM CC(C)[C@@H](N)c1cccc(C(=O)[O-])n1 104522384 574026650 /nfs/dbraw/zinc/02/66/50/574026650.db2.gz QCQQXHYFYWBMFC-SECBINFHSA-N -1 3 194.234 1.436 10 0 ADAEHM Cc1ccccc1[C@@H](N)/C=C/C(=O)[O-] 259284762 574028974 /nfs/dbraw/zinc/02/89/74/574028974.db2.gz HNBDUGLYRAYAKP-FGEFZZPRSA-N -1 3 191.230 1.636 10 0 ADAEHM CN[C@@H](Sc1ccccc1)C(=O)[O-] 259285156 574028748 /nfs/dbraw/zinc/02/87/48/574028748.db2.gz SDWRLMKHFFIANF-QMMMGPOBSA-N -1 3 197.259 1.409 10 0 ADAEHM COC(=O)c1nnc2ccc(C)[n-]c1-2 259283697 574028838 /nfs/dbraw/zinc/02/88/38/574028838.db2.gz AMTGALKEWCNYLY-UHFFFAOYSA-N -1 3 191.190 1.053 10 0 ADAEHM COC(=O)c1[n-]nc2ccc(C)nc12 259283697 574028841 /nfs/dbraw/zinc/02/88/41/574028841.db2.gz AMTGALKEWCNYLY-UHFFFAOYSA-N -1 3 191.190 1.053 10 0 ADAEHM COC(=O)c1n[n-]c2ccc(C)nc12 259283697 574028842 /nfs/dbraw/zinc/02/88/42/574028842.db2.gz AMTGALKEWCNYLY-UHFFFAOYSA-N -1 3 191.190 1.053 10 0 ADAEHM CCCn1[n-]c(=O)c2cc(N)ccc21 143845274 574030733 /nfs/dbraw/zinc/03/07/33/574030733.db2.gz FWQPPJKOIKHSMW-UHFFFAOYSA-N -1 3 191.234 1.322 10 0 ADAEHM [O-]c1coc2cc(OCCF)ccc12 87775562 574030775 /nfs/dbraw/zinc/03/07/75/574030775.db2.gz CBEWVKPCPPKIHU-UHFFFAOYSA-N -1 3 196.177 1.610 10 0 ADAEHM CCCc1c(NCC)nc[n-]c1=O 87841793 574045317 /nfs/dbraw/zinc/04/53/17/574045317.db2.gz XVBLWKCTSPJFFP-UHFFFAOYSA-N -1 3 181.239 1.154 10 0 ADAEHM [O-]c1ccccc1-c1ccnnn1 112989974 574045195 /nfs/dbraw/zinc/04/51/95/574045195.db2.gz HTTGVORJOBRXRJ-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM CCCNc1nc[n-]c(=O)c1CC 87841845 574045564 /nfs/dbraw/zinc/04/55/64/574045564.db2.gz ONMPBPCUIGNELU-UHFFFAOYSA-N -1 3 181.239 1.154 10 0 ADAEHM CCc1ccc(NC(C)=O)c([O-])c1 113104486 574045650 /nfs/dbraw/zinc/04/56/50/574045650.db2.gz VMOLQIOZGGWMQK-UHFFFAOYSA-N -1 3 179.219 1.913 10 0 ADAEHM CCNc1nc[n-]c(=O)c1C(C)C 87841867 574045814 /nfs/dbraw/zinc/04/58/14/574045814.db2.gz FRZZOIGFICLDOT-UHFFFAOYSA-N -1 3 181.239 1.325 10 0 ADAEHM CCCNc1nc(C)[n-]c(=O)c1C 87841869 574046019 /nfs/dbraw/zinc/04/60/19/574046019.db2.gz ZRGLLJZZMPHIAX-UHFFFAOYSA-N -1 3 181.239 1.209 10 0 ADAEHM C[C@@]12CC[C@@H](C1)C(=O)C=C2[O-] 113174213 574046171 /nfs/dbraw/zinc/04/61/71/574046171.db2.gz KPRRZGYKTXZGNF-IMTBSYHQSA-N -1 3 152.193 1.335 10 0 ADAEHM C[C@@]12CC[C@@H](C1)C([O-])=CC2=O 113174213 574046173 /nfs/dbraw/zinc/04/61/73/574046173.db2.gz KPRRZGYKTXZGNF-IMTBSYHQSA-N -1 3 152.193 1.335 10 0 ADAEHM CCCNc1nc[n-]c(=O)c1C(C)C 87841817 574046245 /nfs/dbraw/zinc/04/62/45/574046245.db2.gz MHFKRSRBVLKXDP-UHFFFAOYSA-N -1 3 195.266 1.715 10 0 ADAEHM CC[C@H](C)[C@H](C(=O)[O-])N1CC=CC1 113215231 574047022 /nfs/dbraw/zinc/04/70/22/574047022.db2.gz DKYGCIIGNNBNGY-DTWKUNHWSA-N -1 3 183.251 1.358 10 0 ADAEHM O=C1NCc2ccccc2N1[O-] 113238182 574047185 /nfs/dbraw/zinc/04/71/85/574047185.db2.gz OQORKSYURZOMAS-UHFFFAOYSA-N -1 3 164.164 1.105 10 0 ADAEHM COc1cc([O-])ccc1N=O 113207236 574047368 /nfs/dbraw/zinc/04/73/68/574047368.db2.gz QCEMLNAQECGBOQ-UHFFFAOYSA-N -1 3 153.137 1.799 10 0 ADAEHM Cc1ccc([C@H](C)N([O-])C(N)=O)o1 10353 575189541 /nfs/dbraw/zinc/18/95/41/575189541.db2.gz NPEPKUYRLBWTCB-LURJTMIESA-N -1 3 184.195 1.419 10 0 ADAEHM CCc1[n-][nH]c(=O)c1C(C)C 143329696 486949392 /nfs/dbraw/zinc/94/93/92/486949392.db2.gz DPIPKEZDUMXPQU-ZETCQYMHSA-N -1 3 154.213 1.154 10 0 ADAEHM CCc1[n-][nH]c(=O)c1C(C)C 143329485 486949416 /nfs/dbraw/zinc/94/94/16/486949416.db2.gz DPIPKEZDUMXPQU-SSDOTTSWSA-N -1 3 154.213 1.154 10 0 ADAEHM CCOC(=O)C=C([O-])C(F)(F)F 199067600 487014338 /nfs/dbraw/zinc/01/43/38/487014338.db2.gz SJNDOEWQCSKXBD-ARJAWSKDSA-N -1 3 184.113 1.554 10 0 ADAEHM Cc1cc(C(=O)[N-]c2cnoc2)co1 681977670 487040514 /nfs/dbraw/zinc/04/05/14/487040514.db2.gz CBSAAOHOEMBVAQ-UHFFFAOYSA-N -1 3 192.174 1.828 10 0 ADAEHM NC(=O)CCCc1ccc([O-])c(F)c1 682441543 487060133 /nfs/dbraw/zinc/06/01/33/487060133.db2.gz BYJFABAEMFRLEU-UHFFFAOYSA-N -1 3 197.209 1.339 10 0 ADAEHM CCCC(=O)NCc1ncccc1[O-] 684349177 487118323 /nfs/dbraw/zinc/11/83/23/487118323.db2.gz BJTFMHHTTMUCNN-UHFFFAOYSA-N -1 3 194.234 1.204 10 0 ADAEHM Cc1ccc2nn[n-]c2c1C=O 757126881 582458638 /nfs/dbraw/zinc/45/86/38/582458638.db2.gz HOWAXCQYCNYQIK-UHFFFAOYSA-N -1 3 161.164 1.079 10 0 ADAEHM Cc1ccc2[n-]nnc2c1C=O 757126881 582458639 /nfs/dbraw/zinc/45/86/39/582458639.db2.gz HOWAXCQYCNYQIK-UHFFFAOYSA-N -1 3 161.164 1.079 10 0 ADAEHM Cc1ccc2n[n-]nc2c1C=O 757126881 582458640 /nfs/dbraw/zinc/45/86/40/582458640.db2.gz HOWAXCQYCNYQIK-UHFFFAOYSA-N -1 3 161.164 1.079 10 0 ADAEHM N[C@@H](CF)c1cccc([O-])c1F 757133198 582458886 /nfs/dbraw/zinc/45/88/86/582458886.db2.gz HJFMRNLGRCHXHU-LURJTMIESA-N -1 3 173.162 1.501 10 0 ADAEHM N[C@H](CF)c1cccc([O-])c1F 757133220 582459219 /nfs/dbraw/zinc/45/92/19/582459219.db2.gz HJFMRNLGRCHXHU-ZCFIWIBFSA-N -1 3 173.162 1.501 10 0 ADAEHM O=Cc1c(C(=O)[O-])oc2cccnc12 757136065 582460000 /nfs/dbraw/zinc/46/00/00/582460000.db2.gz BTVILYGABLMKGG-UHFFFAOYSA-N -1 3 191.142 1.339 10 0 ADAEHM O=C([O-])[C@@H]1NC2(CCCCC2)CCO1 757142547 582462831 /nfs/dbraw/zinc/46/28/31/582462831.db2.gz DDYGUWMCPHJFCE-MRVPVSSYSA-N -1 3 199.250 1.110 10 0 ADAEHM O=C([O-])[C@H]1NC2(CCCCC2)CCO1 757142551 582463011 /nfs/dbraw/zinc/46/30/11/582463011.db2.gz DDYGUWMCPHJFCE-QMMMGPOBSA-N -1 3 199.250 1.110 10 0 ADAEHM CC[C@H](C)CN(C)[C@H](C)c1nnn[n-]1 687716178 1441857271 /nfs/dbraw/zinc/85/72/71/1441857271.db2.gz JMWPOHFDBGIPIR-JGVFFNPUSA-N -1 3 197.286 1.239 10 0 ADAEHM Cc1oc2c(N)cccc2c1[O-] 757175213 582471352 /nfs/dbraw/zinc/47/13/52/582471352.db2.gz JJQJNHYAGALURP-YFKPBYRVSA-N -1 3 163.176 1.232 10 0 ADAEHM Cc1oc2c(N)cccc2c1[O-] 757175212 582471502 /nfs/dbraw/zinc/47/15/02/582471502.db2.gz JJQJNHYAGALURP-RXMQYKEDSA-N -1 3 163.176 1.232 10 0 ADAEHM CC1(C)C[C@@H]1C(=O)C=C([O-])C(F)F 397705748 582502778 /nfs/dbraw/zinc/50/27/78/582502778.db2.gz TUAAQRWVHHEIPW-RXMQYKEDSA-N -1 3 190.189 1.826 10 0 ADAEHM CC1(C)C[C@@H]1C([O-])=CC(=O)C(F)F 397705748 582502782 /nfs/dbraw/zinc/50/27/82/582502782.db2.gz TUAAQRWVHHEIPW-RXMQYKEDSA-N -1 3 190.189 1.826 10 0 ADAEHM CC1(C)C[C@H]1C(=O)C=C([O-])C(F)F 397705749 582502924 /nfs/dbraw/zinc/50/29/24/582502924.db2.gz TUAAQRWVHHEIPW-YFKPBYRVSA-N -1 3 190.189 1.826 10 0 ADAEHM CC1(C)C[C@H]1C([O-])=CC(=O)C(F)F 397705749 582502925 /nfs/dbraw/zinc/50/29/25/582502925.db2.gz TUAAQRWVHHEIPW-YFKPBYRVSA-N -1 3 190.189 1.826 10 0 ADAEHM CCOC(=O)c1nn[n-]c1C1CCC1 260887239 582512168 /nfs/dbraw/zinc/51/21/68/582512168.db2.gz OSPYIXBDOONBJH-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CCOC(=O)c1[n-]nnc1C1CCC1 260887239 582512171 /nfs/dbraw/zinc/51/21/71/582512171.db2.gz OSPYIXBDOONBJH-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CCOC(=O)c1n[n-]nc1C1CCC1 260887239 582512173 /nfs/dbraw/zinc/51/21/73/582512173.db2.gz OSPYIXBDOONBJH-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CC[N-]C(=O)C(F)(F)C(F)F 147718490 582529873 /nfs/dbraw/zinc/52/98/73/582529873.db2.gz HMLUDJAFYPOYIV-UHFFFAOYSA-N -1 3 173.109 1.023 10 0 ADAEHM CCCC([O-])=C(F)C(=O)OCC 147605605 582527732 /nfs/dbraw/zinc/52/77/32/582527732.db2.gz LNOHNNJHHLKCNM-SSDOTTSWSA-N -1 3 176.187 1.257 10 0 ADAEHM CCCC([O-])=C(F)C(=O)OCC 147605743 582528276 /nfs/dbraw/zinc/52/82/76/582528276.db2.gz LNOHNNJHHLKCNM-ZETCQYMHSA-N -1 3 176.187 1.257 10 0 ADAEHM CCCON=C([O-])OCC 114056177 582534622 /nfs/dbraw/zinc/53/46/22/582534622.db2.gz GDJSFQBUNZUUMO-UHFFFAOYSA-N -1 3 147.174 1.074 10 0 ADAEHM CCCO[N-]C(=O)OCC 114056177 582534626 /nfs/dbraw/zinc/53/46/26/582534626.db2.gz GDJSFQBUNZUUMO-UHFFFAOYSA-N -1 3 147.174 1.074 10 0 ADAEHM O=C([N-]OC1CCC1)C1(C2CC2)CC1 897817734 582549177 /nfs/dbraw/zinc/54/91/77/582549177.db2.gz WJZQWFVZKZRPDL-UHFFFAOYSA-N -1 3 195.262 1.777 10 0 ADAEHM O=C([N-]OCC1CC1)C1(C2CC2)CC1 897840515 582549696 /nfs/dbraw/zinc/54/96/96/582549696.db2.gz HMRCOCHHMHZXJO-UHFFFAOYSA-N -1 3 195.262 1.634 10 0 ADAEHM CC(C)O[N-]C(=O)C1(C2CC2)CC1 897888580 582549699 /nfs/dbraw/zinc/54/96/99/582549699.db2.gz FFJOHFFKBSNPFD-UHFFFAOYSA-N -1 3 183.251 1.633 10 0 ADAEHM Cc1ccc(NC(=O)CCF)c([O-])c1 899943000 582567544 /nfs/dbraw/zinc/56/75/44/582567544.db2.gz VLVWSGPLYYIJDU-UHFFFAOYSA-N -1 3 197.209 1.999 10 0 ADAEHM CC[C@@H]1C[C@H]1C(=O)[N-]C1=NCCS1 901155414 582580010 /nfs/dbraw/zinc/58/00/10/582580010.db2.gz VAFUMMJAZUYCRC-RNFRBKRXSA-N -1 3 198.291 1.252 10 0 ADAEHM Cc1cccc([O-])c1NC(=O)CCF 901293406 582584471 /nfs/dbraw/zinc/58/44/71/582584471.db2.gz FNJFULFNBXDWJI-UHFFFAOYSA-N -1 3 197.209 1.999 10 0 ADAEHM O=C(CCF)[N-]OC1CCCC1 901330164 582584530 /nfs/dbraw/zinc/58/45/30/582584530.db2.gz PGPICQVOUSDTLL-UHFFFAOYSA-N -1 3 175.203 1.336 10 0 ADAEHM Cc1coc(C[N-]c2nc(C)no2)c1 905406852 582648980 /nfs/dbraw/zinc/64/89/80/582648980.db2.gz RFFHKQCFLKXVGH-UHFFFAOYSA-N -1 3 193.206 1.892 10 0 ADAEHM Cc1coc(C[N-]c2nnco2)c1 905413262 582649080 /nfs/dbraw/zinc/64/90/80/582649080.db2.gz LLDZDNIGSRTTFW-UHFFFAOYSA-N -1 3 179.179 1.583 10 0 ADAEHM CO[N-]C(=O)C1(C2CC2)CCC1 905864112 582652709 /nfs/dbraw/zinc/65/27/09/582652709.db2.gz KJVSONRQBJXFHW-UHFFFAOYSA-N -1 3 169.224 1.244 10 0 ADAEHM CCO[N-]C(=O)C1(C2CC2)CCC1 905768370 582652958 /nfs/dbraw/zinc/65/29/58/582652958.db2.gz WIPHTAQZCXNVAN-UHFFFAOYSA-N -1 3 183.251 1.634 10 0 ADAEHM O=C(CCF)Nc1ncccc1[O-] 907314609 582660034 /nfs/dbraw/zinc/66/00/34/582660034.db2.gz SSJQILHPLWZQPF-UHFFFAOYSA-N -1 3 184.170 1.085 10 0 ADAEHM O=C(CCF)[N-]OC1CCCCC1 907544520 582661034 /nfs/dbraw/zinc/66/10/34/582661034.db2.gz SOGIXFXWFAGKLL-UHFFFAOYSA-N -1 3 189.230 1.727 10 0 ADAEHM CCOC(=O)c1nn[n-]c1[C@H](C)CC 224346840 582667830 /nfs/dbraw/zinc/66/78/30/582667830.db2.gz DNAWCYZZXZRODL-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1[n-]nnc1[C@H](C)CC 224346840 582667831 /nfs/dbraw/zinc/66/78/31/582667831.db2.gz DNAWCYZZXZRODL-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1n[n-]nc1[C@H](C)CC 224346840 582667832 /nfs/dbraw/zinc/66/78/32/582667832.db2.gz DNAWCYZZXZRODL-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1nn[n-]c1[C@@H](C)CC 224346895 582668389 /nfs/dbraw/zinc/66/83/89/582668389.db2.gz DNAWCYZZXZRODL-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1[n-]nnc1[C@@H](C)CC 224346895 582668391 /nfs/dbraw/zinc/66/83/91/582668391.db2.gz DNAWCYZZXZRODL-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCOC(=O)c1n[n-]nc1[C@@H](C)CC 224346895 582668394 /nfs/dbraw/zinc/66/83/94/582668394.db2.gz DNAWCYZZXZRODL-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CC(C)(C)C(=O)[N-]OCc1ccno1 732805485 582676034 /nfs/dbraw/zinc/67/60/34/582676034.db2.gz CIVIQWWBIFXTAA-UHFFFAOYSA-N -1 3 198.222 1.269 10 0 ADAEHM CC(=O)[N-]OC1CCCCC1 221367606 582686717 /nfs/dbraw/zinc/68/67/17/582686717.db2.gz HQFYPBPONIPJNU-UHFFFAOYSA-N -1 3 157.213 1.387 10 0 ADAEHM CCCCCCN(C)Cc1nn[n-]n1 736449278 582687997 /nfs/dbraw/zinc/68/79/97/582687997.db2.gz TZHFIIVERAGDKK-UHFFFAOYSA-N -1 3 197.286 1.212 10 0 ADAEHM Cc1n[n-]c2ccc(F)cc2c1=O 527432023 582710069 /nfs/dbraw/zinc/71/00/69/582710069.db2.gz MOYHMTVFOBHCJO-UHFFFAOYSA-N -1 3 178.166 1.783 10 0 ADAEHM Cc1n[n-]c2cc(F)ccc2c1=O 527434174 582710267 /nfs/dbraw/zinc/71/02/67/582710267.db2.gz NMRKOPXAAWRQQU-UHFFFAOYSA-N -1 3 178.166 1.783 10 0 ADAEHM CCO[N-]C(=O)CC(C)(C)COC 839475062 582729312 /nfs/dbraw/zinc/72/93/12/582729312.db2.gz XWJUNJYIGCQRJZ-UHFFFAOYSA-N -1 3 189.255 1.117 10 0 ADAEHM O=c1ccnc(C=Cc2cn[nH]c2)[n-]1 751536694 582763837 /nfs/dbraw/zinc/76/38/37/582763837.db2.gz XFAJBNFJWKKIDN-OWOJBTEDSA-N -1 3 188.190 1.076 10 0 ADAEHM CCO[N-]C(=O)CCc1ccc(C)o1 746583186 582746765 /nfs/dbraw/zinc/74/67/65/582746765.db2.gz VAOYFXXOMWSIJK-UHFFFAOYSA-N -1 3 197.234 1.588 10 0 ADAEHM CC(C)CO[N-]C(=O)C1=COCCC1 750221499 582756337 /nfs/dbraw/zinc/75/63/37/582756337.db2.gz LVKWFYDSTNVVMY-UHFFFAOYSA-N -1 3 199.250 1.385 10 0 ADAEHM O=c1ccnc(C=Cc2cn[nH]c2)[n-]1 751536695 582763762 /nfs/dbraw/zinc/76/37/62/582763762.db2.gz XFAJBNFJWKKIDN-UPHRSURJSA-N -1 3 188.190 1.076 10 0 ADAEHM CCc1cccc(CC(=O)[N-]OC)c1 751586472 582764445 /nfs/dbraw/zinc/76/44/45/582764445.db2.gz MGELDDVUZZVTTB-UHFFFAOYSA-N -1 3 193.246 1.469 10 0 ADAEHM CC(=O)[N-]OCc1ncc(C(C)C)o1 753118950 582771826 /nfs/dbraw/zinc/77/18/26/582771826.db2.gz NJPAOAJZHDOSPR-UHFFFAOYSA-N -1 3 198.222 1.366 10 0 ADAEHM CCC(=O)[N-]OCc1ccc(F)cc1 754719845 582783408 /nfs/dbraw/zinc/78/34/08/582783408.db2.gz AWNSJNZWBIFDCW-UHFFFAOYSA-N -1 3 197.209 1.784 10 0 ADAEHM N[C@H](CF)c1ccc(F)c([O-])c1 757135579 582794785 /nfs/dbraw/zinc/79/47/85/582794785.db2.gz WBYHHCGVSLOPOE-SSDOTTSWSA-N -1 3 173.162 1.501 10 0 ADAEHM CO[N-]C(=O)/C=C/c1ncccc1C 759416011 582802970 /nfs/dbraw/zinc/80/29/70/582802970.db2.gz PYWFLFGJLMXIJN-AATRIKPKSA-N -1 3 192.218 1.081 10 0 ADAEHM CO[N-]C(=O)/C=C\c1ncccc1C 759416012 582803410 /nfs/dbraw/zinc/80/34/10/582803410.db2.gz PYWFLFGJLMXIJN-WAYWQWQTSA-N -1 3 192.218 1.081 10 0 ADAEHM CCON=C([O-])Nc1cc(CC)on1 759986607 582805755 /nfs/dbraw/zinc/80/57/55/582805755.db2.gz LJWCNLCEBQDUHP-UHFFFAOYSA-N -1 3 199.210 1.310 10 0 ADAEHM CCO[N-]C(=O)Nc1cc(CC)on1 759986607 582805757 /nfs/dbraw/zinc/80/57/57/582805757.db2.gz LJWCNLCEBQDUHP-UHFFFAOYSA-N -1 3 199.210 1.310 10 0 ADAEHM CC(=O)[N-]OCc1ncc(C2CC2)o1 760351020 582807181 /nfs/dbraw/zinc/80/71/81/582807181.db2.gz LWAYJDAALBEWBT-UHFFFAOYSA-N -1 3 196.206 1.120 10 0 ADAEHM Cc1cc(=O)[n-]c(CN(C)C2CC2)n1 761864667 582813274 /nfs/dbraw/zinc/81/32/74/582813274.db2.gz QOJDMQBGQZLKNS-UHFFFAOYSA-N -1 3 193.250 1.085 10 0 ADAEHM CCCN(C)Cc1nc(C)cc(=O)[n-]1 761866716 582813341 /nfs/dbraw/zinc/81/33/41/582813341.db2.gz QIVPLMGSVYTIQT-UHFFFAOYSA-N -1 3 195.266 1.332 10 0 ADAEHM O=c1ccnc(C=Cc2ncc[nH]2)[n-]1 764441725 582823019 /nfs/dbraw/zinc/82/30/19/582823019.db2.gz JUJRYMDKFYKVMS-UPHRSURJSA-N -1 3 188.190 1.076 10 0 ADAEHM O=c1ccnc(C=Cc2ncc[nH]2)[n-]1 764441724 582823335 /nfs/dbraw/zinc/82/33/35/582823335.db2.gz JUJRYMDKFYKVMS-OWOJBTEDSA-N -1 3 188.190 1.076 10 0 ADAEHM C[C@H]1C[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 769565183 582840019 /nfs/dbraw/zinc/84/00/19/582840019.db2.gz ILVFRXJXXLCVMD-XHNCKOQMSA-N -1 3 199.250 1.217 10 0 ADAEHM C[C@H]1C[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 769565182 582840380 /nfs/dbraw/zinc/84/03/80/582840380.db2.gz ILVFRXJXXLCVMD-CIUDSAMLSA-N -1 3 199.250 1.217 10 0 ADAEHM CC(=O)[N-]OCc1ccc(C)nc1C 774759658 582860228 /nfs/dbraw/zinc/86/02/28/582860228.db2.gz OXSQNRHOQRFRCP-UHFFFAOYSA-N -1 3 194.234 1.266 10 0 ADAEHM CCC[C@@H](C)OC(=O)c1n[n-]nc1C 805545958 582862229 /nfs/dbraw/zinc/86/22/29/582862229.db2.gz BNDPDQVBVFXWLO-ZCFIWIBFSA-N -1 3 197.238 1.459 10 0 ADAEHM CCC[C@H](C)OC(=O)c1n[n-]nc1C 805545956 582862558 /nfs/dbraw/zinc/86/25/58/582862558.db2.gz BNDPDQVBVFXWLO-LURJTMIESA-N -1 3 197.238 1.459 10 0 ADAEHM O=c1ccnc(C=Cc2cocn2)[n-]1 790219143 582908988 /nfs/dbraw/zinc/90/89/88/582908988.db2.gz FOYLQUGMWAQHPM-OWOJBTEDSA-N -1 3 189.174 1.341 10 0 ADAEHM O=c1ccnc(C=Cc2cocn2)[n-]1 790219144 582909006 /nfs/dbraw/zinc/90/90/06/582909006.db2.gz FOYLQUGMWAQHPM-UPHRSURJSA-N -1 3 189.174 1.341 10 0 ADAEHM N[C@@H](CF)c1ccc(F)c([O-])c1 757135580 582943946 /nfs/dbraw/zinc/94/39/46/582943946.db2.gz WBYHHCGVSLOPOE-ZETCQYMHSA-N -1 3 173.162 1.501 10 0 ADAEHM Cc1oc2c(N)ccc(C)c2c1[O-] 757175641 582949172 /nfs/dbraw/zinc/94/91/72/582949172.db2.gz DONXCBJTJOFVTN-LURJTMIESA-N -1 3 177.203 1.541 10 0 ADAEHM Cc1oc2c(N)ccc(C)c2c1[O-] 757175645 582949326 /nfs/dbraw/zinc/94/93/26/582949326.db2.gz DONXCBJTJOFVTN-ZCFIWIBFSA-N -1 3 177.203 1.541 10 0 ADAEHM CCC(=O)[N-]OC[C@@H](C)CC 816980232 582991746 /nfs/dbraw/zinc/99/17/46/582991746.db2.gz HQQOJJZCITVJDR-ZETCQYMHSA-N -1 3 159.229 1.490 10 0 ADAEHM CCC(=O)[N-]OC[C@H](C)CC 816980231 582991571 /nfs/dbraw/zinc/99/15/71/582991571.db2.gz HQQOJJZCITVJDR-SSDOTTSWSA-N -1 3 159.229 1.490 10 0 ADAEHM CSCCC(=O)[N-]OCC1CC1 817344520 582994801 /nfs/dbraw/zinc/99/48/01/582994801.db2.gz JEKDIQHSKUIZGS-UHFFFAOYSA-N -1 3 189.280 1.197 10 0 ADAEHM C=C/C(C)=C\CC(=O)[N-]OCC1CC1 817350127 582995077 /nfs/dbraw/zinc/99/50/77/582995077.db2.gz VXTSCGAZVQKHGY-WTKPLQERSA-N -1 3 195.262 1.967 10 0 ADAEHM C=C/C(C)=C/CC(=O)[N-]OCC1CC1 817350126 582995198 /nfs/dbraw/zinc/99/51/98/582995198.db2.gz VXTSCGAZVQKHGY-RUDMXATFSA-N -1 3 195.262 1.967 10 0 ADAEHM O=C(CCC(F)F)[N-]OCC1CC1 817349826 582995229 /nfs/dbraw/zinc/99/52/29/582995229.db2.gz IRQXSWZNCZVUAU-UHFFFAOYSA-N -1 3 193.193 1.490 10 0 ADAEHM CCOC([O-])=NOCCCCF 818106648 583003648 /nfs/dbraw/zinc/00/36/48/583003648.db2.gz CDNVGGKPJJBHGH-UHFFFAOYSA-N -1 3 179.191 1.414 10 0 ADAEHM CCOC(=O)[N-]OCCCCF 818106648 583003649 /nfs/dbraw/zinc/00/36/49/583003649.db2.gz CDNVGGKPJJBHGH-UHFFFAOYSA-N -1 3 179.191 1.414 10 0 ADAEHM CO[N-]C(=O)[C@@]1(C)CC=C(C)CC1 820844570 583025072 /nfs/dbraw/zinc/02/50/72/583025072.db2.gz IXXNVOHSAAXVBI-JTQLQIEISA-N -1 3 183.251 1.801 10 0 ADAEHM CO[N-]C(=O)[C@]1(C)CC=C(C)CC1 820844571 583025093 /nfs/dbraw/zinc/02/50/93/583025093.db2.gz IXXNVOHSAAXVBI-SNVBAGLBSA-N -1 3 183.251 1.801 10 0 ADAEHM CO[N-]C(=O)C(C)(C)CC(F)(F)F 820844187 583025318 /nfs/dbraw/zinc/02/53/18/583025318.db2.gz BMMYSVXTTSXISQ-UHFFFAOYSA-N -1 3 199.172 1.643 10 0 ADAEHM CCO[N-]C(=O)CCCC(C)C 822342146 583035355 /nfs/dbraw/zinc/03/53/55/583035355.db2.gz QESUKHSLQCJQPD-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM CO[N-]C(=O)CCCC(C)C 822381845 583035397 /nfs/dbraw/zinc/03/53/97/583035397.db2.gz DTNJDSSUDKREFM-UHFFFAOYSA-N -1 3 159.229 1.490 10 0 ADAEHM CCO[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F 822341730 583035443 /nfs/dbraw/zinc/03/54/43/583035443.db2.gz IDCYXFFOSBYYSA-RFZPGFLSSA-N -1 3 197.156 1.253 10 0 ADAEHM CCO[N-]C(=O)C(C)=C1CCC1 824235628 583044130 /nfs/dbraw/zinc/04/41/30/583044130.db2.gz CMBOWXHFJFNURD-UHFFFAOYSA-N -1 3 169.224 1.555 10 0 ADAEHM CC/C(C)=C\C(=O)[N-]OCC(F)F 829282902 583061723 /nfs/dbraw/zinc/06/17/23/583061723.db2.gz DSCYTFYPCRWQRP-XQRVVYSFSA-N -1 3 193.193 1.656 10 0 ADAEHM CC/C(C)=C/C(=O)[N-]OCC(F)F 829282901 583062195 /nfs/dbraw/zinc/06/21/95/583062195.db2.gz DSCYTFYPCRWQRP-GQCTYLIASA-N -1 3 193.193 1.656 10 0 ADAEHM CO[N-]C(=O)C1(C2CCC2)CCC1 836307032 583101269 /nfs/dbraw/zinc/10/12/69/583101269.db2.gz SEDCXDJCBNNRBO-UHFFFAOYSA-N -1 3 183.251 1.634 10 0 ADAEHM C=C/C(C)=C/CC(=O)[N-]OC(C)C 836798554 583103068 /nfs/dbraw/zinc/10/30/68/583103068.db2.gz NGUPZLDWFQOZIJ-RMKNXTFCSA-N -1 3 183.251 1.965 10 0 ADAEHM C=C/C(C)=C\CC(=O)[N-]OC(C)C 836798556 583103089 /nfs/dbraw/zinc/10/30/89/583103089.db2.gz NGUPZLDWFQOZIJ-TWGQIWQCSA-N -1 3 183.251 1.965 10 0 ADAEHM CC(C)O[N-]C(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 836798298 583103352 /nfs/dbraw/zinc/10/33/52/583103352.db2.gz KALDGOYIDWMZCR-DOFRTFSJSA-N -1 3 197.278 1.879 10 0 ADAEHM CC(=O)[N-]O[C@@H](C)CC(C)C 842026048 583119741 /nfs/dbraw/zinc/11/97/41/583119741.db2.gz DPDYTHQTTVLMPR-ZETCQYMHSA-N -1 3 159.229 1.489 10 0 ADAEHM CC(=O)[N-]O[C@H](C)CC(C)C 842026047 583119879 /nfs/dbraw/zinc/11/98/79/583119879.db2.gz DPDYTHQTTVLMPR-SSDOTTSWSA-N -1 3 159.229 1.489 10 0 ADAEHM CC(=O)[N-]OC[C@H]1CCC(F)(F)C1 842026106 583119904 /nfs/dbraw/zinc/11/99/04/583119904.db2.gz GKMDJRGLJMKDHS-ZETCQYMHSA-N -1 3 193.193 1.490 10 0 ADAEHM CC(=O)[N-]OC[C@@H]1CCC(F)(F)C1 842026105 583120005 /nfs/dbraw/zinc/12/00/05/583120005.db2.gz GKMDJRGLJMKDHS-SSDOTTSWSA-N -1 3 193.193 1.490 10 0 ADAEHM CC(=O)[N-]OCc1cc(C)ccc1F 842026240 583120301 /nfs/dbraw/zinc/12/03/01/583120301.db2.gz LEXBMXAETAACAE-UHFFFAOYSA-N -1 3 197.209 1.702 10 0 ADAEHM CC(=O)[N-]OCC1=CCCC1 842647716 583127886 /nfs/dbraw/zinc/12/78/86/583127886.db2.gz CFAJAZUXCWRFTQ-UHFFFAOYSA-N -1 3 155.197 1.164 10 0 ADAEHM O=C(Nc1ccccc1[O-])C1(F)CC1 843771284 583136557 /nfs/dbraw/zinc/13/65/57/583136557.db2.gz GKOQEKDDJIYAGR-UHFFFAOYSA-N -1 3 195.193 1.833 10 0 ADAEHM O=C(Nc1ncccc1[O-])C1(F)CC1 843851655 583137208 /nfs/dbraw/zinc/13/72/08/583137208.db2.gz LSJDJACXAUGUDT-UHFFFAOYSA-N -1 3 196.181 1.228 10 0 ADAEHM CCCO[N-]C(=O)CCC(F)F 844087202 583138490 /nfs/dbraw/zinc/13/84/90/583138490.db2.gz IEJYRTDKXIBTTE-UHFFFAOYSA-N -1 3 181.182 1.490 10 0 ADAEHM CCCO[N-]C(=O)CCCSC 844085969 583138542 /nfs/dbraw/zinc/13/85/42/583138542.db2.gz HIEMZSROBKVSTA-UHFFFAOYSA-N -1 3 191.296 1.587 10 0 ADAEHM CCCO[N-]C(=O)CCC1CC1 844085953 583138551 /nfs/dbraw/zinc/13/85/51/583138551.db2.gz GYEWSKPLFSVNFT-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM CCCO[N-]C(=O)C1(CCF)CC1 844088147 583139160 /nfs/dbraw/zinc/13/91/60/583139160.db2.gz KJVVLUFOXPSTEI-UHFFFAOYSA-N -1 3 189.230 1.584 10 0 ADAEHM CCCO[N-]C(=O)[C@H]1C[C@@H]1C(F)F 844088173 583139190 /nfs/dbraw/zinc/13/91/90/583139190.db2.gz MACPGVULQDQAQV-WDSKDSINSA-N -1 3 193.193 1.345 10 0 ADAEHM C=C/C(C)=C\CC(=O)[N-]OCCC 844088214 583139201 /nfs/dbraw/zinc/13/92/01/583139201.db2.gz OHCWNLUEALRLLN-TWGQIWQCSA-N -1 3 183.251 1.967 10 0 ADAEHM C=C/C(C)=C/CC(=O)[N-]OCCC 844088213 583139230 /nfs/dbraw/zinc/13/92/30/583139230.db2.gz OHCWNLUEALRLLN-RMKNXTFCSA-N -1 3 183.251 1.967 10 0 ADAEHM CCCO[N-]C(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 844088502 583139330 /nfs/dbraw/zinc/13/93/30/583139330.db2.gz RPJKOGPTDFACLF-DOFRTFSJSA-N -1 3 197.278 1.880 10 0 ADAEHM CCCC(C)(C)C(=O)[N-]OCC 845139985 583148968 /nfs/dbraw/zinc/14/89/68/583148968.db2.gz AZDOPAQJQADQSK-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM CC/C=C(/F)C(=O)[N-]c1nncn1C 867429127 583154409 /nfs/dbraw/zinc/15/44/09/583154409.db2.gz WAHRWMSMYPQWPP-GQCTYLIASA-N -1 3 198.201 1.017 10 0 ADAEHM CC/C=C(\F)C(=O)[N-]c1nncn1C 867429128 583154532 /nfs/dbraw/zinc/15/45/32/583154532.db2.gz WAHRWMSMYPQWPP-XQRVVYSFSA-N -1 3 198.201 1.017 10 0 ADAEHM CO[N-]C(=O)CCC[Si](C)(C)C 847318392 583162623 /nfs/dbraw/zinc/16/26/23/583162623.db2.gz IKLITDVZPUAQLK-UHFFFAOYSA-N -1 3 189.331 1.782 10 0 ADAEHM CC(=O)[N-]OCCC(C)(C)C1CC1 848508675 583168432 /nfs/dbraw/zinc/16/84/32/583168432.db2.gz PKMYTQWNYSWMOE-UHFFFAOYSA-N -1 3 185.267 1.880 10 0 ADAEHM CC(=O)[N-]OCCC=C(C)C 853660567 583227033 /nfs/dbraw/zinc/22/70/33/583227033.db2.gz CEXRGDPBNYQLHR-UHFFFAOYSA-N -1 3 157.213 1.410 10 0 ADAEHM CC(=O)[N-]OCC1(C)CCC1 853660486 583227323 /nfs/dbraw/zinc/22/73/23/583227323.db2.gz AGCKUUCNQOKELD-UHFFFAOYSA-N -1 3 157.213 1.244 10 0 ADAEHM CC(=O)[N-]OC[C@@H]1CC[C@H]2C[C@H]2C1 853661924 583228030 /nfs/dbraw/zinc/22/80/30/583228030.db2.gz VCTZCPGTASQUFG-KXUCPTDWSA-N -1 3 183.251 1.490 10 0 ADAEHM CC(=O)[N-]OCC12CCC(CC1)C2 853662233 583228165 /nfs/dbraw/zinc/22/81/65/583228165.db2.gz ZUHOJEMGQKOFSU-UHFFFAOYSA-N -1 3 183.251 1.634 10 0 ADAEHM CC(=O)[N-]OC[C@@H]1CC[C@@H]2C[C@@H]2C1 853661923 583228187 /nfs/dbraw/zinc/22/81/87/583228187.db2.gz VCTZCPGTASQUFG-BBBLOLIVSA-N -1 3 183.251 1.490 10 0 ADAEHM CC(=O)[N-]O[C@H](C)C(C)C 853662166 583228259 /nfs/dbraw/zinc/22/82/59/583228259.db2.gz YUSOOLPEYFGCQR-ZCFIWIBFSA-N -1 3 145.202 1.099 10 0 ADAEHM CC(=O)[N-]O[C@@H](C)C(C)C 853662154 583228390 /nfs/dbraw/zinc/22/83/90/583228390.db2.gz YUSOOLPEYFGCQR-LURJTMIESA-N -1 3 145.202 1.099 10 0 ADAEHM CCC(C)(C)CCO[N-]C(C)=O 853661366 583228640 /nfs/dbraw/zinc/22/86/40/583228640.db2.gz MUANQEDUOZQOJU-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM CC(=O)[N-]OC[C@H]1C[C@@H]2C[C@@H]2C1 853661674 583228812 /nfs/dbraw/zinc/22/88/12/583228812.db2.gz QYWHHUUVAQXOTB-AYMMMOKOSA-N -1 3 169.224 1.100 10 0 ADAEHM CCOC([O-])=NOC[C@H]1C[C@@H]2C[C@@H]2C1 853725597 583230637 /nfs/dbraw/zinc/23/06/37/583230637.db2.gz DLFFMAZJZUKWRS-AYMMMOKOSA-N -1 3 199.250 1.710 10 0 ADAEHM CCOC(=O)[N-]OC[C@H]1C[C@@H]2C[C@@H]2C1 853725597 583230639 /nfs/dbraw/zinc/23/06/39/583230639.db2.gz DLFFMAZJZUKWRS-AYMMMOKOSA-N -1 3 199.250 1.710 10 0 ADAEHM O=C([N-]OCC(F)F)[C@H]1CC12CC2 857484706 583264409 /nfs/dbraw/zinc/26/44/09/583264409.db2.gz FLCTUYNTDUQTQW-RXMQYKEDSA-N -1 3 191.177 1.099 10 0 ADAEHM O=C([N-]OCC(F)F)[C@@H]1CC12CC2 857484707 583264724 /nfs/dbraw/zinc/26/47/24/583264724.db2.gz FLCTUYNTDUQTQW-YFKPBYRVSA-N -1 3 191.177 1.099 10 0 ADAEHM O=C([N-]C1=NCCS1)C12CC(C1)C2 858171539 583268068 /nfs/dbraw/zinc/26/80/68/583268068.db2.gz RCYOPRYGMNNORX-UHFFFAOYSA-N -1 3 196.275 1.006 10 0 ADAEHM CC(C)CO[N-]C(=O)C12CC(C1)C2 860344487 583285018 /nfs/dbraw/zinc/28/50/18/583285018.db2.gz NVBOKOHNCKZIHM-UHFFFAOYSA-N -1 3 183.251 1.490 10 0 ADAEHM O=C([N-]OC1CCCC1)C12CC(C1)C2 860601077 583286839 /nfs/dbraw/zinc/28/68/39/583286839.db2.gz FMMRMGDSCKLIAU-UHFFFAOYSA-N -1 3 195.262 1.777 10 0 ADAEHM O=C([N-]OCC(F)F)C12CC(C1)C2 860812066 583287536 /nfs/dbraw/zinc/28/75/36/583287536.db2.gz OPMZXMVXYOSALL-UHFFFAOYSA-N -1 3 191.177 1.099 10 0 ADAEHM CC[C@H](C)CO[N-]C(=O)C12CC(C1)C2 861809092 583294772 /nfs/dbraw/zinc/29/47/72/583294772.db2.gz PCGHXJZELAGISJ-SILCLGDVSA-N -1 3 197.278 1.880 10 0 ADAEHM CC(C)O[N-]C(=O)C12CC(C1)C2 861881069 583294719 /nfs/dbraw/zinc/29/47/19/583294719.db2.gz MDTBSELRFXJBLY-UHFFFAOYSA-N -1 3 169.224 1.243 10 0 ADAEHM CC[C@@H](C)CO[N-]C(=O)C12CC(C1)C2 861809090 583294805 /nfs/dbraw/zinc/29/48/05/583294805.db2.gz PCGHXJZELAGISJ-FKTRJACZSA-N -1 3 197.278 1.880 10 0 ADAEHM O=C([N-]OCCC1CC1)C12CC(C1)C2 861823178 583294898 /nfs/dbraw/zinc/29/48/98/583294898.db2.gz FCKFPSPEXJOMET-UHFFFAOYSA-N -1 3 195.262 1.634 10 0 ADAEHM O=C([N-]OCC1CC1)C12CC(C1)C2 861824767 583294946 /nfs/dbraw/zinc/29/49/46/583294946.db2.gz XAAIFFCWGKSLTQ-UHFFFAOYSA-N -1 3 181.235 1.244 10 0 ADAEHM O=C([N-]OC1CCC1)C12CC(C1)C2 861881326 583295281 /nfs/dbraw/zinc/29/52/81/583295281.db2.gz SBSIBJVIYPCLQF-UHFFFAOYSA-N -1 3 181.235 1.387 10 0 ADAEHM CCCO[N-]C(=O)C12CC(C1)C2 862103097 583296999 /nfs/dbraw/zinc/29/69/99/583296999.db2.gz BBVVSTZAYBQHTQ-UHFFFAOYSA-N -1 3 169.224 1.244 10 0 ADAEHM O=C([N-]OCC1CCC1)C12CC(C1)C2 862232793 583297039 /nfs/dbraw/zinc/29/70/39/583297039.db2.gz JPVZKGCGOMAOOO-UHFFFAOYSA-N -1 3 195.262 1.634 10 0 ADAEHM CCOC([O-])=NOC[C@@H]1C[C@@H]1C 863476250 583310775 /nfs/dbraw/zinc/31/07/75/583310775.db2.gz YGCDQSKPMBDPGN-BQBZGAKWSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC(=O)[N-]OC[C@@H]1C[C@@H]1C 863476250 583310778 /nfs/dbraw/zinc/31/07/78/583310778.db2.gz YGCDQSKPMBDPGN-BQBZGAKWSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC([O-])=NOC[C@H]1C[C@H]1C 863476252 583310920 /nfs/dbraw/zinc/31/09/20/583310920.db2.gz YGCDQSKPMBDPGN-RNFRBKRXSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC(=O)[N-]OC[C@H]1C[C@H]1C 863476252 583310924 /nfs/dbraw/zinc/31/09/24/583310924.db2.gz YGCDQSKPMBDPGN-RNFRBKRXSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC([O-])=NOC[C@H]1C[C@@H]1C 863476251 583311041 /nfs/dbraw/zinc/31/10/41/583311041.db2.gz YGCDQSKPMBDPGN-NKWVEPMBSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC(=O)[N-]OC[C@H]1C[C@@H]1C 863476251 583311043 /nfs/dbraw/zinc/31/10/43/583311043.db2.gz YGCDQSKPMBDPGN-NKWVEPMBSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC([O-])=NOC[C@@H]1C[C@H]1C 863476253 583311276 /nfs/dbraw/zinc/31/12/76/583311276.db2.gz YGCDQSKPMBDPGN-RQJHMYQMSA-N -1 3 173.212 1.320 10 0 ADAEHM CCOC(=O)[N-]OC[C@@H]1C[C@H]1C 863476253 583311277 /nfs/dbraw/zinc/31/12/77/583311277.db2.gz YGCDQSKPMBDPGN-RQJHMYQMSA-N -1 3 173.212 1.320 10 0 ADAEHM CCO[N-]C(=O)c1cc(C)cnc1F 864689929 583321426 /nfs/dbraw/zinc/32/14/26/583321426.db2.gz PNBMLOYKCLUFOQ-UHFFFAOYSA-N -1 3 198.197 1.210 10 0 ADAEHM CNC(=O)c1c(Cl)n[n-]c1C1CC1 864733209 583321867 /nfs/dbraw/zinc/32/18/67/583321867.db2.gz OJPHPQHNVOTVGD-UHFFFAOYSA-N -1 3 199.641 1.300 10 0 ADAEHM CCOCCCCCC(=O)[N-]OC 864747570 583322081 /nfs/dbraw/zinc/32/20/81/583322081.db2.gz FPAOXACLCCADNJ-UHFFFAOYSA-N -1 3 189.255 1.261 10 0 ADAEHM CC(C)O[N-]C(=O)CC1CSC1 868659388 583339002 /nfs/dbraw/zinc/33/90/02/583339002.db2.gz WBDSPUNUDOKAEV-UHFFFAOYSA-N -1 3 189.280 1.196 10 0 ADAEHM CCCO[N-]C(=O)CC1CSC1 869084523 583340290 /nfs/dbraw/zinc/34/02/90/583340290.db2.gz CCLVWQGGNSTWQS-UHFFFAOYSA-N -1 3 189.280 1.197 10 0 ADAEHM COC(=O)c1cn[n-]c1[C@H]1CCCO1 869902424 583344855 /nfs/dbraw/zinc/34/48/55/583344855.db2.gz TXPWWMMXRNIZLN-SSDOTTSWSA-N -1 3 196.206 1.048 10 0 ADAEHM COC(=O)c1c[n-]nc1[C@H]1CCCO1 869902424 583344857 /nfs/dbraw/zinc/34/48/57/583344857.db2.gz TXPWWMMXRNIZLN-SSDOTTSWSA-N -1 3 196.206 1.048 10 0 ADAEHM COC(=O)c1cn[n-]c1[C@@H]1CCCO1 869902425 583344903 /nfs/dbraw/zinc/34/49/03/583344903.db2.gz TXPWWMMXRNIZLN-ZETCQYMHSA-N -1 3 196.206 1.048 10 0 ADAEHM COC(=O)c1c[n-]nc1[C@@H]1CCCO1 869902425 583344905 /nfs/dbraw/zinc/34/49/05/583344905.db2.gz TXPWWMMXRNIZLN-ZETCQYMHSA-N -1 3 196.206 1.048 10 0 ADAEHM CC(=O)[N-]OC1CC(CF)(CF)C1 871729529 583354010 /nfs/dbraw/zinc/35/40/10/583354010.db2.gz RXWBVOLIDQQRSC-UHFFFAOYSA-N -1 3 193.193 1.142 10 0 ADAEHM CC(=O)[N-]OCc1coc(C2CC2)n1 871729223 583354192 /nfs/dbraw/zinc/35/41/92/583354192.db2.gz FZPZWIYQEQUBEA-UHFFFAOYSA-N -1 3 196.206 1.120 10 0 ADAEHM CC(=O)[N-]OCC1CC2(CCC2)C1 871729173 583354388 /nfs/dbraw/zinc/35/43/88/583354388.db2.gz DHYHZBVVIQGFMO-UHFFFAOYSA-N -1 3 183.251 1.634 10 0 ADAEHM Cc1[n-]n(C2CCC2)c(=O)c1C1CC1 871942014 583356911 /nfs/dbraw/zinc/35/69/11/583356911.db2.gz AXZNGVFCMCIHEU-SNVBAGLBSA-N -1 3 192.262 1.783 10 0 ADAEHM Cc1[n-]n(C2CCC2)c(=O)c1C1CC1 871942013 583356950 /nfs/dbraw/zinc/35/69/50/583356950.db2.gz AXZNGVFCMCIHEU-JTQLQIEISA-N -1 3 192.262 1.783 10 0 ADAEHM Cc1[n-]n([C@H](C)C2CC2)c(=O)c1F 871948768 583357685 /nfs/dbraw/zinc/35/76/85/583357685.db2.gz BQSUSGZLGHLPQN-SVRRBLITSA-N -1 3 184.214 1.341 10 0 ADAEHM Cc1[n-]n(C23CC(C2)C3)c(=O)c1F 871960423 583357931 /nfs/dbraw/zinc/35/79/31/583357931.db2.gz YICNDBSWATZRCK-KDIYEYIXSA-N -1 3 182.198 1.095 10 0 ADAEHM Cc1[n-]n([C@H](C)C2CC2)c(=O)c1F 871948766 583357956 /nfs/dbraw/zinc/35/79/56/583357956.db2.gz BQSUSGZLGHLPQN-HTRCEHHLSA-N -1 3 184.214 1.341 10 0 ADAEHM Cc1[n-]n([C@@H](C)C2CC2)c(=O)c1F 871948767 583358032 /nfs/dbraw/zinc/35/80/32/583358032.db2.gz BQSUSGZLGHLPQN-POYBYMJQSA-N -1 3 184.214 1.341 10 0 ADAEHM Cc1[n-]n([C@@H](C)C2CC2)c(=O)c1F 871948769 583358111 /nfs/dbraw/zinc/35/81/11/583358111.db2.gz BQSUSGZLGHLPQN-XPUUQOCRSA-N -1 3 184.214 1.341 10 0 ADAEHM Cc1[n-]n(C23CC(C2)C3)c(=O)c1F 871960407 583358495 /nfs/dbraw/zinc/35/84/95/583358495.db2.gz YICNDBSWATZRCK-CRMOQAEOSA-N -1 3 182.198 1.095 10 0 ADAEHM O=C([O-])C12CCC(CC1)N2CCF 872162922 583359983 /nfs/dbraw/zinc/35/99/83/583359983.db2.gz PIAGSZVRFOVIIZ-UHFFFAOYSA-N -1 3 187.214 1.038 10 0 ADAEHM CCCO[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 880419086 583432051 /nfs/dbraw/zinc/43/20/51/583432051.db2.gz HGAALSHCKFKHQG-UWVGGRQHSA-N -1 3 197.278 1.880 10 0 ADAEHM CCC(C)(C)CCn1c([O-])coc1=O 882276367 583451182 /nfs/dbraw/zinc/45/11/82/583451182.db2.gz HHZBLRALLUKDGK-UHFFFAOYSA-N -1 3 199.250 1.792 10 0 ADAEHM CC(C)SCn1c([O-])coc1=O 882276190 583451499 /nfs/dbraw/zinc/45/14/99/583451499.db2.gz DGUWNOPDEQGNND-UHFFFAOYSA-N -1 3 189.236 1.064 10 0 ADAEHM CN1CCC/C(=C/C(=O)[O-])CC1 213366996 583457002 /nfs/dbraw/zinc/45/70/02/583457002.db2.gz DGRCPQLJDCEBSA-FPLPWBNLSA-N -1 3 169.224 1.113 10 0 ADAEHM CSCCC(=O)[N-]OCC(C)C 134136198 583474586 /nfs/dbraw/zinc/47/45/86/583474586.db2.gz NIJCNSLVGYVGCQ-UHFFFAOYSA-N -1 3 191.296 1.443 10 0 ADAEHM CC[C@@H](C)C(=O)[N-]OCC(C)C 134139652 583474934 /nfs/dbraw/zinc/47/49/34/583474934.db2.gz ICGXPKNNGLMROQ-MRVPVSSYSA-N -1 3 173.256 1.736 10 0 ADAEHM CC[C@H](C)C(=O)[N-]OCC(C)C 134139852 583475310 /nfs/dbraw/zinc/47/53/10/583475310.db2.gz ICGXPKNNGLMROQ-QMMMGPOBSA-N -1 3 173.256 1.736 10 0 ADAEHM CCCO[N-]C(=O)C(C)C 219958464 583500044 /nfs/dbraw/zinc/50/00/44/583500044.db2.gz GQUVSNPVTQGXJN-UHFFFAOYSA-N -1 3 145.202 1.100 10 0 ADAEHM C[Si](C)(C)c1ccc([O-])cn1 200542542 491040275 /nfs/dbraw/zinc/04/02/75/491040275.db2.gz VMUDNZXRDWWHSB-UHFFFAOYSA-N -1 3 167.284 1.332 10 0 ADAEHM Cc1[n-]c(=O)c(Cl)nc1Cl 200542001 491040226 /nfs/dbraw/zinc/04/02/26/491040226.db2.gz QKHQYQGJFUZBJU-UHFFFAOYSA-N -1 3 179.006 1.385 10 0 ADAEHM Cc1ccc([O-])c(CNCCF)n1 308196615 491083581 /nfs/dbraw/zinc/08/35/81/491083581.db2.gz RKNXKFAYAQUABR-UHFFFAOYSA-N -1 3 184.214 1.155 10 0 ADAEHM CC(C)N1CCCC[C@H]1c1nn[n-]n1 95200286 1446186341 /nfs/dbraw/zinc/18/63/41/1446186341.db2.gz AOQZOFOKEWTGCT-QMMMGPOBSA-N -1 3 195.270 1.135 10 0 ADAEHM CC(C)N1CCCC[C@H]1c1nnn[n-]1 95200286 1446186345 /nfs/dbraw/zinc/18/63/45/1446186345.db2.gz AOQZOFOKEWTGCT-QMMMGPOBSA-N -1 3 195.270 1.135 10 0 ADAEHM [O-]c1coc2cc(OC3CC3)ccc12 307282854 1188806460 /nfs/dbraw/zinc/80/64/60/1188806460.db2.gz LGCVKNZDIIVGAB-UHFFFAOYSA-N -1 3 190.198 1.803 10 0 ADAEHM CO[N-]C(=O)/C(C)=C/c1ccccn1 1629513398 1188848200 /nfs/dbraw/zinc/84/82/00/1188848200.db2.gz PQVLXLZUYKKRCY-BQYQJAHWSA-N -1 3 192.218 1.163 10 0 ADAEHM CO[N-]C(=O)/C(C)=C\c1ccccn1 1629513399 1188848327 /nfs/dbraw/zinc/84/83/27/1188848327.db2.gz PQVLXLZUYKKRCY-FPLPWBNLSA-N -1 3 192.218 1.163 10 0 ADAEHM CC[C@@H](C)CN(C)[C@H](C)c1nnn[n-]1 687716177 1446760156 /nfs/dbraw/zinc/76/01/56/1446760156.db2.gz JMWPOHFDBGIPIR-HTQZYQBOSA-N -1 3 197.286 1.239 10 0 ADAEHM CCC(CC)CN(C)Cc1nn[n-]n1 687795405 1446853678 /nfs/dbraw/zinc/85/36/78/1446853678.db2.gz YDFRDBJRPQXNMU-UHFFFAOYSA-N -1 3 197.286 1.068 10 0 ADAEHM CCC(CC)CN(C)Cc1nnn[n-]1 687795405 1446853683 /nfs/dbraw/zinc/85/36/83/1446853683.db2.gz YDFRDBJRPQXNMU-UHFFFAOYSA-N -1 3 197.286 1.068 10 0 ADAEHM C[C@@H]1C[C@H]1[N-]C(=O)C(F)(F)C(F)F 226626177 697693502 /nfs/dbraw/zinc/69/35/02/697693502.db2.gz NBTXFXMEMXONFL-QWWZWVQMSA-N -1 3 199.147 1.411 10 0 ADAEHM C[C@@H]1C[C@@H]1[N-]C(=O)C(F)(F)C(F)F 226626162 697693585 /nfs/dbraw/zinc/69/35/85/697693585.db2.gz NBTXFXMEMXONFL-DMTCNVIQSA-N -1 3 199.147 1.411 10 0 ADAEHM C[C@H]1C[C@H]1[N-]C(=O)C(F)(F)C(F)F 226626180 697693718 /nfs/dbraw/zinc/69/37/18/697693718.db2.gz NBTXFXMEMXONFL-IUYQGCFVSA-N -1 3 199.147 1.411 10 0 ADAEHM CC(=O)[N-]O[C@@H](C)c1ncc(C)o1 307320325 697742199 /nfs/dbraw/zinc/74/21/99/697742199.db2.gz OSXRHOPXOHILFI-LURJTMIESA-N -1 3 184.195 1.112 10 0 ADAEHM CC(=O)[N-]O[C@H](C)c1ncc(C)o1 307320327 697742381 /nfs/dbraw/zinc/74/23/81/697742381.db2.gz OSXRHOPXOHILFI-ZCFIWIBFSA-N -1 3 184.195 1.112 10 0 ADAEHM CO[N-]C(=O)C(C)(C)CSC 307683736 697749751 /nfs/dbraw/zinc/74/97/51/697749751.db2.gz HUGQEAUZHINMJQ-UHFFFAOYSA-N -1 3 177.269 1.053 10 0 ADAEHM CC[C@H](C)CC(=O)[N-]OC(C)C 379077577 697797608 /nfs/dbraw/zinc/79/76/08/697797608.db2.gz DRZCWSXEMZTFRP-QMMMGPOBSA-N -1 3 173.256 1.879 10 0 ADAEHM CC[C@@H](C)CC(=O)[N-]OC(C)C 379077576 697797630 /nfs/dbraw/zinc/79/76/30/697797630.db2.gz DRZCWSXEMZTFRP-MRVPVSSYSA-N -1 3 173.256 1.879 10 0 ADAEHM CCC1(C(=O)[N-]OC(C)C)CC1 379076164 697797708 /nfs/dbraw/zinc/79/77/08/697797708.db2.gz DBRJJIPCPHLAEH-UHFFFAOYSA-N -1 3 171.240 1.633 10 0 ADAEHM CC(C)C(=O)[N-]OC/C=C\Cl 379247753 697800890 /nfs/dbraw/zinc/80/08/90/697800890.db2.gz CEAPPZUAYXLUQU-ARJAWSKDSA-N -1 3 177.631 1.443 10 0 ADAEHM CC[C@H](CC(=O)[N-]OC)C(C)C 379311128 697804135 /nfs/dbraw/zinc/80/41/35/697804135.db2.gz HFWCIMFLTODATO-MRVPVSSYSA-N -1 3 173.256 1.736 10 0 ADAEHM CC[C@@H](CC(=O)[N-]OC)C(C)C 379311129 697804361 /nfs/dbraw/zinc/80/43/61/697804361.db2.gz HFWCIMFLTODATO-QMMMGPOBSA-N -1 3 173.256 1.736 10 0 ADAEHM CO[N-]C(=O)CCc1ccc(C)o1 379410645 697886000 /nfs/dbraw/zinc/88/60/00/697886000.db2.gz GMPWXPDFYBCFPE-UHFFFAOYSA-N -1 3 183.207 1.198 10 0 ADAEHM C/C=C/C[N-]C(=O)C(F)(F)C(F)F 384762941 697930673 /nfs/dbraw/zinc/93/06/73/697930673.db2.gz QMBFAFZLVRCREZ-NSCUHMNNSA-N -1 3 199.147 1.579 10 0 ADAEHM C/C=C/CNCc1ccc(C(=O)[O-])o1 384704888 697930699 /nfs/dbraw/zinc/93/06/99/697930699.db2.gz BWRGJSTYFROHNL-NSCUHMNNSA-N -1 3 195.218 1.644 10 0 ADAEHM C/C=C\CNCc1ccoc1C(=O)[O-] 384743826 697930908 /nfs/dbraw/zinc/93/09/08/697930908.db2.gz MJWOKLUAAFIBFS-IHWYPQMZSA-N -1 3 195.218 1.644 10 0 ADAEHM C/C=C\C[N-]C(=O)C(F)(F)C(F)F 384762936 697930978 /nfs/dbraw/zinc/93/09/78/697930978.db2.gz QMBFAFZLVRCREZ-IHWYPQMZSA-N -1 3 199.147 1.579 10 0 ADAEHM C/C=C/CNCc1ccoc1C(=O)[O-] 384743827 697931036 /nfs/dbraw/zinc/93/10/36/697931036.db2.gz MJWOKLUAAFIBFS-NSCUHMNNSA-N -1 3 195.218 1.644 10 0 ADAEHM C/C=C\CNCc1ccc(C(=O)[O-])o1 384704887 697931057 /nfs/dbraw/zinc/93/10/57/697931057.db2.gz BWRGJSTYFROHNL-IHWYPQMZSA-N -1 3 195.218 1.644 10 0 ADAEHM CCO[N-]C(=O)CCCSC 388114638 697941833 /nfs/dbraw/zinc/94/18/33/697941833.db2.gz FOMPIKVQGLGSIY-UHFFFAOYSA-N -1 3 177.269 1.197 10 0 ADAEHM CCO[N-]C(=O)CCC(F)F 388128144 697942637 /nfs/dbraw/zinc/94/26/37/697942637.db2.gz QVYPKCIIHCFCCB-UHFFFAOYSA-N -1 3 167.155 1.099 10 0 ADAEHM O=C(CCC(F)F)[N-]OC1CCC1 388260641 697947632 /nfs/dbraw/zinc/94/76/32/697947632.db2.gz CWSWCXQVSZUWIX-UHFFFAOYSA-N -1 3 193.193 1.632 10 0 ADAEHM CCO[N-]C(=O)Cc1ccsc1C 388278731 697949816 /nfs/dbraw/zinc/94/98/16/697949816.db2.gz KTBBWMKFWSOZSN-UHFFFAOYSA-N -1 3 199.275 1.667 10 0 ADAEHM CO[N-]C(=O)[C@@H](C)CC(C)(C)C 388486145 697969246 /nfs/dbraw/zinc/96/92/46/697969246.db2.gz CIQDZBKAHODPIK-ZETCQYMHSA-N -1 3 173.256 1.736 10 0 ADAEHM CO[N-]C(=O)[C@H](C)CC(C)(C)C 388486144 697969432 /nfs/dbraw/zinc/96/94/32/697969432.db2.gz CIQDZBKAHODPIK-SSDOTTSWSA-N -1 3 173.256 1.736 10 0 ADAEHM CO[N-]C(=O)C[C@H](C)C(F)(F)F 705498623 698052681 /nfs/dbraw/zinc/05/26/81/698052681.db2.gz SGYUOULJCNRURM-BYPYZUCNSA-N -1 3 185.145 1.253 10 0 ADAEHM CO[N-]C(=O)C[C@@H](C)C(F)(F)F 705498625 698053029 /nfs/dbraw/zinc/05/30/29/698053029.db2.gz SGYUOULJCNRURM-SCSAIBSYSA-N -1 3 185.145 1.253 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 712049941 698058219 /nfs/dbraw/zinc/05/82/19/698058219.db2.gz FMRQLBGOOYXPLA-YUMQZZPRSA-N -1 3 169.224 1.100 10 0 ADAEHM CCO[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 712071838 698058233 /nfs/dbraw/zinc/05/82/33/698058233.db2.gz ZCNXVELWKXQRFJ-IUCAKERBSA-N -1 3 183.251 1.490 10 0 ADAEHM CCO[N-]C(=O)C1(C2CC2)CC1 895526250 698160700 /nfs/dbraw/zinc/16/07/00/698160700.db2.gz KDVJBNJSHDZULJ-UHFFFAOYSA-N -1 3 169.224 1.244 10 0 ADAEHM Cc1nc2ccc3[n-]snc3c2n1 103975903 325616858 /nfs/dbraw/zinc/61/68/58/325616858.db2.gz JCFCCRUIDFXCPY-UHFFFAOYSA-N -1 3 190.231 1.876 10 0 ADAEHM Cc1ccc([O-])c2nc(N)sc12 17158384 343046083 /nfs/dbraw/zinc/04/60/83/343046083.db2.gz IOQRRTGEBXOWRT-UHFFFAOYSA-N -1 3 180.232 1.893 10 0 ADAEHM Cc1ccc2oc(C)c([O-])c2c1 32201248 343100669 /nfs/dbraw/zinc/10/06/69/343100669.db2.gz DQPPICLXWCIFKG-SSDOTTSWSA-N -1 3 162.188 1.959 10 0 ADAEHM CCCCn1ccc(=O)[n-]c1=S 34129563 343111344 /nfs/dbraw/zinc/11/13/44/343111344.db2.gz GZFARBKCSIOXBM-UHFFFAOYSA-N -1 3 184.264 1.706 10 0 ADAEHM CCc1cccc2c(=O)cn[n-]c12 34197338 343113263 /nfs/dbraw/zinc/11/32/63/343113263.db2.gz UGEKKDUXQKGWRV-UHFFFAOYSA-N -1 3 174.203 1.486 10 0 ADAEHM Cc1ncsc1-c1n[n-]c(=S)o1 34964332 343126755 /nfs/dbraw/zinc/12/67/55/343126755.db2.gz SUDNLXRFTRRDAO-UHFFFAOYSA-N -1 3 199.260 1.790 10 0 ADAEHM O=C1[N-]C(=O)[C@H](CC2CCCCC2)N1 36466942 343146368 /nfs/dbraw/zinc/14/63/68/343146368.db2.gz JLMOTEMRNVWPED-QMMMGPOBSA-N -1 3 196.250 1.165 10 0 ADAEHM CCCN(C)C(=O)c1cccc([O-])c1 37098749 343159802 /nfs/dbraw/zinc/15/98/02/343159802.db2.gz QINBMOTYQXVUFE-UHFFFAOYSA-N -1 3 193.246 1.874 10 0 ADAEHM Cc1cnc(N)c([S-])c1 39054263 343194677 /nfs/dbraw/zinc/19/46/77/343194677.db2.gz UNXSCXPRYQZANN-UHFFFAOYSA-N -1 3 140.211 1.261 10 0 ADAEHM CN(C#N)c1cccc([O-])c1 39059066 343195115 /nfs/dbraw/zinc/19/51/15/343195115.db2.gz VCGUPTJZNPZTPW-UHFFFAOYSA-N -1 3 148.165 1.309 10 0 ADAEHM Cc1cn2c(C)ccc([O-])c2n1 39081680 343196953 /nfs/dbraw/zinc/19/69/53/343196953.db2.gz WPAUEFFLPRFTQT-UHFFFAOYSA-N -1 3 162.192 1.657 10 0 ADAEHM Cc1cnc2cccc([O-])c2n1 39134274 343203812 /nfs/dbraw/zinc/20/38/12/343203812.db2.gz RERQSNVRWGQJNP-UHFFFAOYSA-N -1 3 160.176 1.644 10 0 ADAEHM Cc1cnc2c(O)ccc([O-])c2n1 39134293 343203833 /nfs/dbraw/zinc/20/38/33/343203833.db2.gz UKLSTOZQZNJBOX-UHFFFAOYSA-N -1 3 176.175 1.349 10 0 ADAEHM Cc1cnc2c([O-])ccc(O)c2n1 39134293 343203834 /nfs/dbraw/zinc/20/38/34/343203834.db2.gz UKLSTOZQZNJBOX-UHFFFAOYSA-N -1 3 176.175 1.349 10 0 ADAEHM Cc1cccc([C@](C)(N)C(=O)[O-])c1 42373419 343241166 /nfs/dbraw/zinc/24/11/66/343241166.db2.gz DJMCHRHDBXVQLL-JTQLQIEISA-N -1 3 179.219 1.254 10 0 ADAEHM Cc1cccc([C@@](C)(N)C(=O)[O-])c1 42373420 343241212 /nfs/dbraw/zinc/24/12/12/343241212.db2.gz DJMCHRHDBXVQLL-SNVBAGLBSA-N -1 3 179.219 1.254 10 0 ADAEHM Cc1nc2ccc([O-])c(N)c2s1 45237135 343271800 /nfs/dbraw/zinc/27/18/00/343271800.db2.gz WEZOWFNAONVNQD-UHFFFAOYSA-N -1 3 180.232 1.893 10 0 ADAEHM CC[C@@H](C)n1ccc(=O)[n-]c1=S 52312612 343305555 /nfs/dbraw/zinc/30/55/55/343305555.db2.gz BLAOVIBWWWVVBM-ZCFIWIBFSA-N -1 3 184.264 1.877 10 0 ADAEHM CC(C)c1cc(=S)n(C)[n-]1 52304949 343305595 /nfs/dbraw/zinc/30/55/95/343305595.db2.gz PBVZZTOZSFOVAS-UHFFFAOYSA-N -1 3 156.254 1.832 10 0 ADAEHM CC1(C)C[C@H]1n1ccc(=O)[n-]c1=S 52313084 343306264 /nfs/dbraw/zinc/30/62/64/343306264.db2.gz DHGRXQIIXQFPKK-ZCFIWIBFSA-N -1 3 196.275 1.877 10 0 ADAEHM CC(C)(C)Cn1ccc(=O)[n-]c1=S 52313012 343306268 /nfs/dbraw/zinc/30/62/68/343306268.db2.gz ARDAAUFLBQRVPX-UHFFFAOYSA-N -1 3 198.291 1.952 10 0 ADAEHM C[C@@H]1C[C@@H]1n1ccc(=O)[n-]c1=S 52312986 343306281 /nfs/dbraw/zinc/30/62/81/343306281.db2.gz IHJQMSCVTYSEML-RITPCOANSA-N -1 3 182.248 1.487 10 0 ADAEHM C[C@H]1C[C@H]1n1ccc(=O)[n-]c1=S 52312992 343306293 /nfs/dbraw/zinc/30/62/93/343306293.db2.gz IHJQMSCVTYSEML-NTSWFWBYSA-N -1 3 182.248 1.487 10 0 ADAEHM C=Cc1cnc(C)c([O-])c1C=O 59544871 343345759 /nfs/dbraw/zinc/34/57/59/343345759.db2.gz RLJAJGVDWBYFRY-UHFFFAOYSA-N -1 3 163.176 1.551 10 0 ADAEHM O=C1CCNc2cc([O-])ccc21 59698851 343346935 /nfs/dbraw/zinc/34/69/35/343346935.db2.gz BGWAIZNKGILPKU-UHFFFAOYSA-N -1 3 163.176 1.391 10 0 ADAEHM C[C@H](C1CC1)n1c(=O)[n-][nH]c1=S 61591186 343357987 /nfs/dbraw/zinc/35/79/87/343357987.db2.gz DSBRSEASFXEHLR-SCSAIBSYSA-N -1 3 185.252 1.205 10 0 ADAEHM C[C@@H](C1CC1)n1c(=O)[n-][nH]c1=S 61591185 343357995 /nfs/dbraw/zinc/35/79/95/343357995.db2.gz DSBRSEASFXEHLR-BYPYZUCNSA-N -1 3 185.252 1.205 10 0 ADAEHM CC1(C)C[C@@H]1n1c(=O)[n-][nH]c1=S 61591320 343357998 /nfs/dbraw/zinc/35/79/98/343357998.db2.gz OXIHJEKNRBJRFN-BYPYZUCNSA-N -1 3 185.252 1.205 10 0 ADAEHM O=c1[n-][nH]c(=S)n1C1CCCC1 61591633 343358001 /nfs/dbraw/zinc/35/80/01/343358001.db2.gz PEEYWBHFRULOPD-UHFFFAOYSA-N -1 3 185.252 1.349 10 0 ADAEHM CC(C)[C@H](C)n1c(=O)[n-][nH]c1=S 61591505 343358003 /nfs/dbraw/zinc/35/80/03/343358003.db2.gz QLSZDENXHIZLTA-YFKPBYRVSA-N -1 3 187.268 1.451 10 0 ADAEHM Cc1cc(=O)[n-]c(CC(C)(C)C)n1 69630060 343428777 /nfs/dbraw/zinc/42/87/77/343428777.db2.gz MIPDQILGYQLZIU-UHFFFAOYSA-N -1 3 180.251 1.667 10 0 ADAEHM CO[N-]C(=O)/C=C/c1sccc1C 70268083 343486050 /nfs/dbraw/zinc/48/60/50/343486050.db2.gz OWNRQHHMNTXBBJ-ONEGZZNKSA-N -1 3 197.259 1.747 10 0 ADAEHM CCc1c(C)nc([C@H](N)CC)[n-]c1=O 70947945 343542889 /nfs/dbraw/zinc/54/28/89/343542889.db2.gz VHXPWDKOIZSPFP-MRVPVSSYSA-N -1 3 195.266 1.051 10 0 ADAEHM Cc1nc([C@H](C)N)[n-]c(=O)c1C(C)C 70947584 343543180 /nfs/dbraw/zinc/54/31/80/343543180.db2.gz DXLQZJAQTROGRN-LURJTMIESA-N -1 3 195.266 1.221 10 0 ADAEHM CCO[C@@H](C)c1nnc(Cl)[n-]1 70833797 343535338 /nfs/dbraw/zinc/53/53/38/343535338.db2.gz AHDKHAIUVIZKBU-BYPYZUCNSA-N -1 3 175.619 1.556 10 0 ADAEHM CCO[C@@H](C)c1n[n-]c(Cl)n1 70833797 343535339 /nfs/dbraw/zinc/53/53/39/343535339.db2.gz AHDKHAIUVIZKBU-BYPYZUCNSA-N -1 3 175.619 1.556 10 0 ADAEHM CCO[C@@H](C)c1nc(Cl)n[n-]1 70833797 343535340 /nfs/dbraw/zinc/53/53/40/343535340.db2.gz AHDKHAIUVIZKBU-BYPYZUCNSA-N -1 3 175.619 1.556 10 0 ADAEHM CC[C@@H](N)c1nc(C2CC2)cc(=O)[n-]1 71009140 343547966 /nfs/dbraw/zinc/54/79/66/343547966.db2.gz BCIIUJHPVKGKPO-SSDOTTSWSA-N -1 3 193.250 1.057 10 0 ADAEHM O=C([O-])[C@@H]1CNCc2cc(F)ccc21 74245348 343571689 /nfs/dbraw/zinc/57/16/89/343571689.db2.gz VWXBIIDBSDFGJO-SECBINFHSA-N -1 3 195.193 1.097 10 0 ADAEHM CCOC(=O)c1nc[n-]c1SC 75252967 343576178 /nfs/dbraw/zinc/57/61/78/343576178.db2.gz ITUZHYJGARQIOX-UHFFFAOYSA-N -1 3 186.236 1.308 10 0 ADAEHM O=C([O-])[C@H]1CNCc2cc(F)ccc21 74245347 343571629 /nfs/dbraw/zinc/57/16/29/343571629.db2.gz VWXBIIDBSDFGJO-VIFPVBQESA-N -1 3 195.193 1.097 10 0 ADAEHM CCC(=O)c1cc(C)c([O-])cc1O 75569828 343577971 /nfs/dbraw/zinc/57/79/71/343577971.db2.gz VSTLDOFIMOMIHU-UHFFFAOYSA-N -1 3 180.203 1.999 10 0 ADAEHM Cc1cc(C(=O)[O-])cc(N(C)C)n1 84446218 343637133 /nfs/dbraw/zinc/63/71/33/343637133.db2.gz XNICZRGXAXLQTF-UHFFFAOYSA-N -1 3 180.207 1.154 10 0 ADAEHM CC1=CS[C@](C)(OC(=O)[O-])[C@@H]1N 87491377 343661919 /nfs/dbraw/zinc/66/19/19/343661919.db2.gz IGYYKRCYUJWQSV-VDTYLAMSSA-N -1 3 189.236 1.375 10 0 ADAEHM CCc1[nH][n-]c2cc(=O)ccc1-2 89195997 343672366 /nfs/dbraw/zinc/67/23/66/343672366.db2.gz FCWKAVJJSBDNQC-UHFFFAOYSA-N -1 3 162.192 1.831 10 0 ADAEHM Cc1c(C)c(N)c2c(cnn2O)c1[O-] 89200759 343672882 /nfs/dbraw/zinc/67/28/82/343672882.db2.gz ZNADXMDNJSQWTE-UHFFFAOYSA-N -1 3 193.206 1.178 10 0 ADAEHM CCc1ccc2c[nH]nc2c1[O-] 89200467 343672884 /nfs/dbraw/zinc/67/28/84/343672884.db2.gz MPHJOWNUZUVWMA-UHFFFAOYSA-N -1 3 162.192 1.831 10 0 ADAEHM CCc1nc2c([O-])cccc2[nH]1 95932654 343691122 /nfs/dbraw/zinc/69/11/22/343691122.db2.gz OYKJWTVFOJZDOC-UHFFFAOYSA-N -1 3 162.192 1.831 10 0 ADAEHM CCCCCc1c(C)[n-][nH]c1=O 100127737 343711581 /nfs/dbraw/zinc/71/15/81/343711581.db2.gz ZPUSDMNVLZKCGZ-QMMMGPOBSA-N -1 3 168.240 1.689 10 0 ADAEHM Cc1nc2c([O-])ccc(O)c2n1C 100176405 343712137 /nfs/dbraw/zinc/71/21/37/343712137.db2.gz QVQFRWCSOXDKBA-UHFFFAOYSA-N -1 3 178.191 1.293 10 0 ADAEHM CCCN1C=CCC(C(=O)[O-])=C1 100232919 343713281 /nfs/dbraw/zinc/71/32/81/343713281.db2.gz UKTOKYZBZPQSPL-UHFFFAOYSA-N -1 3 167.208 1.584 10 0 ADAEHM O=c1occc2cc([O-])ccc12 115054985 343765412 /nfs/dbraw/zinc/76/54/12/343765412.db2.gz BVBAVYGOXUZJJD-UHFFFAOYSA-N -1 3 162.144 1.499 10 0 ADAEHM COC(=O)[C@H](C)c1ccc([O-])cc1F 117539605 343772928 /nfs/dbraw/zinc/77/29/28/343772928.db2.gz LFDGBRTWAIDEID-ZCFIWIBFSA-N -1 3 198.193 1.808 10 0 ADAEHM COC(=O)[C@@H](C)c1ccc([O-])cc1F 117539602 343772933 /nfs/dbraw/zinc/77/29/33/343772933.db2.gz LFDGBRTWAIDEID-LURJTMIESA-N -1 3 198.193 1.808 10 0 ADAEHM O=C(c1cnn[n-]1)C1CCCCCC1 129471018 343851036 /nfs/dbraw/zinc/85/10/36/343851036.db2.gz UPDZHVMKZCJHLB-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM Brc1nc2ncc[n-]c-2n1 83282960 166009459 /nfs/dbraw/zinc/00/94/59/166009459.db2.gz LGYFUDXCTDYWGR-UHFFFAOYSA-N -1 3 199.011 1.115 10 0 ADAEHM Brc1nc2nccnc2[n-]1 83282960 166009461 /nfs/dbraw/zinc/00/94/61/166009461.db2.gz LGYFUDXCTDYWGR-UHFFFAOYSA-N -1 3 199.011 1.115 10 0 ADAEHM C/C(=C\c1cc(O)ccc1[O-])[N+](=O)[O-] 83253493 166051048 /nfs/dbraw/zinc/05/10/48/166051048.db2.gz IMPOBBJMJFCWER-GQCTYLIASA-N -1 3 195.174 1.735 10 0 ADAEHM C/C(=C\c1ccc(O)cc1[O-])[N+](=O)[O-] 83253485 166051397 /nfs/dbraw/zinc/05/13/97/166051397.db2.gz IGZBZKVELNSHPI-GQCTYLIASA-N -1 3 195.174 1.735 10 0 ADAEHM C/C=C/c1ccc([O-])cn1 72231366 166067232 /nfs/dbraw/zinc/06/72/32/166067232.db2.gz JAPHBMPYNZNIRP-NSCUHMNNSA-N -1 3 135.166 1.820 10 0 ADAEHM C/C=C\c1ccc([O-])cn1 39051853 166069477 /nfs/dbraw/zinc/06/94/77/166069477.db2.gz JAPHBMPYNZNIRP-IHWYPQMZSA-N -1 3 135.166 1.820 10 0 ADAEHM CC=Cc1nc(C)cc(=O)[n-]1 39053200 166070304 /nfs/dbraw/zinc/07/03/04/166070304.db2.gz GLMMJXOOQMGSFW-ARJAWSKDSA-N -1 3 150.181 1.111 10 0 ADAEHM C1CCC2(CC1)CCn1[n-]n12 39133904 166090363 /nfs/dbraw/zinc/09/03/63/166090363.db2.gz XMVGDLPVCYRRAR-UHFFFAOYSA-N -1 3 153.229 1.681 10 0 ADAEHM C=C(Cl)c1c(CO)cnc(C)c1[O-] 169337835 166139224 /nfs/dbraw/zinc/13/92/24/166139224.db2.gz ZKPNSGJJIBRUHG-UHFFFAOYSA-N -1 3 199.637 1.797 10 0 ADAEHM Cc1cnccc1-c1nc(Cl)n[n-]1 133072984 343911488 /nfs/dbraw/zinc/91/14/88/343911488.db2.gz MPNKOOAXACWRDU-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM C=CC(=O)[N-]C(=O)OC(C)(C)C 34371258 166154486 /nfs/dbraw/zinc/15/44/86/166154486.db2.gz ZLJZBJSVDATEGJ-UHFFFAOYSA-N -1 3 171.196 1.224 10 0 ADAEHM C=CC(=O)Nc1ccccc1[O-] 39366994 166158739 /nfs/dbraw/zinc/15/87/39/166158739.db2.gz KIQBVKPQYARZTK-UHFFFAOYSA-N -1 3 163.176 1.517 10 0 ADAEHM C=CC(=O)Nc1ccc(C)cc1[O-] 40887337 166158776 /nfs/dbraw/zinc/15/87/76/166158776.db2.gz LHKLVBQWYRZVBW-UHFFFAOYSA-N -1 3 177.203 1.825 10 0 ADAEHM C=COC(=O)c1ccc([O-])cc1 39377346 166211980 /nfs/dbraw/zinc/21/19/80/166211980.db2.gz WKKZXMNRKBVUKQ-UHFFFAOYSA-N -1 3 164.160 1.693 10 0 ADAEHM C=Cc1ccc(C=O)c([O-])c1 39061751 166222476 /nfs/dbraw/zinc/22/24/76/166222476.db2.gz BXYVBHVCQLBCID-UHFFFAOYSA-N -1 3 148.161 1.848 10 0 ADAEHM C=Cc1ccc([O-])c(C=O)c1 39061764 166222749 /nfs/dbraw/zinc/22/27/49/166222749.db2.gz VJLVGOUBVJLEDT-UHFFFAOYSA-N -1 3 148.161 1.848 10 0 ADAEHM C=Cc1cccc2c1C(=O)C(=O)[N-]2 231437342 166222941 /nfs/dbraw/zinc/22/29/41/166222941.db2.gz MXMKMOHQBVGQTL-UHFFFAOYSA-N -1 3 173.171 1.464 10 0 ADAEHM C=Cc1cccc([C@H](N)C(=O)[O-])c1 72191028 166223164 /nfs/dbraw/zinc/22/31/64/166223164.db2.gz ZKFJARQTACPBMG-VIFPVBQESA-N -1 3 177.203 1.414 10 0 ADAEHM C=Cc1cccc(C=O)c1[O-] 39061753 166223392 /nfs/dbraw/zinc/22/33/92/166223392.db2.gz RQUDIOODGJASOK-UHFFFAOYSA-N -1 3 148.161 1.848 10 0 ADAEHM C=Cc1ccncc1[O-] 39050355 166224234 /nfs/dbraw/zinc/22/42/34/166224234.db2.gz PUBZPHLGFGMBED-UHFFFAOYSA-N -1 3 121.139 1.430 10 0 ADAEHM C=Cc1ccccc1[C@H](N)C(=O)[O-] 72191027 166224464 /nfs/dbraw/zinc/22/44/64/166224464.db2.gz HGXMBYDYKWXJNH-VIFPVBQESA-N -1 3 177.203 1.414 10 0 ADAEHM C=Cc1ncc(CO)c(C=C)c1[O-] 169324244 166224532 /nfs/dbraw/zinc/22/45/32/166224532.db2.gz IROBQONSXPWOTI-UHFFFAOYSA-N -1 3 177.203 1.566 10 0 ADAEHM C=Cc1cncc([O-])c1 72230820 166224766 /nfs/dbraw/zinc/22/47/66/166224766.db2.gz FQVFRTZQUOOOSM-UHFFFAOYSA-N -1 3 121.139 1.430 10 0 ADAEHM C=Cc1ncccc1[O-] 39050612 166224908 /nfs/dbraw/zinc/22/49/08/166224908.db2.gz ITSCKWZNZFARQC-UHFFFAOYSA-N -1 3 121.139 1.430 10 0 ADAEHM C=Cc1nc2c([O-])ccc(O)c2n1C 38434634 166224910 /nfs/dbraw/zinc/22/49/10/166224910.db2.gz ICDBMRIILLFXLX-UHFFFAOYSA-N -1 3 190.202 1.628 10 0 ADAEHM CC(=O)CC(=O)Nc1ccccc1[O-] 75581148 166238542 /nfs/dbraw/zinc/23/85/42/166238542.db2.gz HOFBJJVRJFTXGF-UHFFFAOYSA-N -1 3 193.202 1.310 10 0 ADAEHM CC(=O)Cc1ccc(F)c([O-])c1 2579010 166246684 /nfs/dbraw/zinc/24/66/84/166246684.db2.gz SYLATAKHFDMBPX-UHFFFAOYSA-N -1 3 168.167 1.663 10 0 ADAEHM CC(=O)Cc1ccc(F)cc1[O-] 82853391 166247294 /nfs/dbraw/zinc/24/72/94/166247294.db2.gz PTHJEZGGQLXHDY-UHFFFAOYSA-N -1 3 168.167 1.663 10 0 ADAEHM CC(=O)Cc1ccc([O-])cc1F 82853390 166247324 /nfs/dbraw/zinc/24/73/24/166247324.db2.gz QNHIBHMRLBRNON-UHFFFAOYSA-N -1 3 168.167 1.663 10 0 ADAEHM CC(=O)Cc1cc(F)ccc1[O-] 82853393 166248122 /nfs/dbraw/zinc/24/81/22/166248122.db2.gz DLCLQGRMRCAVPM-UHFFFAOYSA-N -1 3 168.167 1.663 10 0 ADAEHM CC(=O)Cc1ccc([O-])c(F)c1 2579009 166248260 /nfs/dbraw/zinc/24/82/60/166248260.db2.gz FMPOSVIRDHFHLH-UHFFFAOYSA-N -1 3 168.167 1.663 10 0 ADAEHM CC(=O)Cc1cccc(F)c1[O-] 82853392 166250442 /nfs/dbraw/zinc/25/04/42/166250442.db2.gz WXPIHTAAZPOTOY-UHFFFAOYSA-N -1 3 168.167 1.663 10 0 ADAEHM CC(=O)N(C)c1ccc(C)cc1[O-] 75569230 166251324 /nfs/dbraw/zinc/25/13/24/166251324.db2.gz MTNYWHUCTUHQIQ-UHFFFAOYSA-N -1 3 179.219 1.683 10 0 ADAEHM CC(=O)N(C)c1ccc([O-])c(F)c1 39125979 166252441 /nfs/dbraw/zinc/25/24/41/166252441.db2.gz DQOPLLJYDHTIRF-UHFFFAOYSA-N -1 3 183.182 1.514 10 0 ADAEHM CC(=O)N(C)C(=O)c1ccccc1[O-] 75581151 166252596 /nfs/dbraw/zinc/25/25/96/166252596.db2.gz WYZDFMSOVDFZHM-UHFFFAOYSA-N -1 3 193.202 1.011 10 0 ADAEHM CC(=O)[N-]C(=O)c1cc(Cl)ccn1 40690753 166268633 /nfs/dbraw/zinc/26/86/33/166268633.db2.gz PVMLHGZBUZQUKV-UHFFFAOYSA-N -1 3 198.609 1.011 10 0 ADAEHM CC(=O)[N-]C(=O)c1ccc(F)cc1 40690764 166268740 /nfs/dbraw/zinc/26/87/40/166268740.db2.gz QIKJHCNQSQDQGJ-UHFFFAOYSA-N -1 3 181.166 1.102 10 0 ADAEHM CC(=O)[N-]C(=O)c1ccnc(Cl)c1 40690745 166268948 /nfs/dbraw/zinc/26/89/48/166268948.db2.gz VNHKWTFLOJCQDY-UHFFFAOYSA-N -1 3 198.609 1.011 10 0 ADAEHM CC(=O)[N-]OCc1ccccc1 6317964 166277686 /nfs/dbraw/zinc/27/76/86/166277686.db2.gz HAOSPKZXSDAXEJ-UHFFFAOYSA-N -1 3 165.192 1.254 10 0 ADAEHM CC(=O)Nc1ccc([O-])c(C=O)c1 39250187 166284195 /nfs/dbraw/zinc/28/41/95/166284195.db2.gz XWMLFCHJBNDGFN-UHFFFAOYSA-N -1 3 179.175 1.163 10 0 ADAEHM CC(=O)Nc1ccc(C=O)c([O-])c1 39193674 166284749 /nfs/dbraw/zinc/28/47/49/166284749.db2.gz BHDPWJGTBSEZIM-UHFFFAOYSA-N -1 3 179.175 1.163 10 0 ADAEHM CC(=O)[N-]C1=NC(C)C(=S)S1 211774022 166287079 /nfs/dbraw/zinc/28/70/79/166287079.db2.gz BXSQIWJBSRSXAY-UHFFFAOYSA-N -1 3 188.277 1.699 10 0 ADAEHM CC(=O)Oc1cc(C(C)=O)ccc1[O-] 75581578 166293023 /nfs/dbraw/zinc/29/30/23/166293023.db2.gz WSAWHAMVRCMYSN-UHFFFAOYSA-N -1 3 194.186 1.520 10 0 ADAEHM CC(=O)Oc1ccc([O-])c(C=O)c1 75569711 166294365 /nfs/dbraw/zinc/29/43/65/166294365.db2.gz XZXJHZBKVPHYSE-UHFFFAOYSA-N -1 3 180.159 1.130 10 0 ADAEHM CC(=O)Oc1cccc([O-])c1C(C)=O 75581574 166294694 /nfs/dbraw/zinc/29/46/94/166294694.db2.gz FYAUIMDHUAKCPA-UHFFFAOYSA-N -1 3 194.186 1.520 10 0 ADAEHM CC([O-])=C1C(=O)Oc2ccccc21 140183809 166301201 /nfs/dbraw/zinc/30/12/01/166301201.db2.gz NRYFOHPMTOMUNB-VIFPVBQESA-N -1 3 176.171 1.278 10 0 ADAEHM CC([O-])=C1C[C@@H](c2ccco2)OC1=O 57489198 166302452 /nfs/dbraw/zinc/30/24/52/166302452.db2.gz ABVSTYPGGGDKDJ-CBAPKCEASA-N -1 3 194.186 1.473 10 0 ADAEHM CC([O-])=C1C[C@H](c2ccco2)OC1=O 57489193 166303410 /nfs/dbraw/zinc/30/34/10/166303410.db2.gz ABVSTYPGGGDKDJ-IONNQARKSA-N -1 3 194.186 1.473 10 0 ADAEHM CC(=O)c1[nH]c2ccccc2c1[O-] 39116287 166304746 /nfs/dbraw/zinc/30/47/46/166304746.db2.gz CAEVCAMDZHRUNF-VIFPVBQESA-N -1 3 175.187 1.252 10 0 ADAEHM CC([O-])=C1C(=O)Oc2ccccc21 140183653 166309890 /nfs/dbraw/zinc/30/98/90/166309890.db2.gz NRYFOHPMTOMUNB-SECBINFHSA-N -1 3 176.171 1.278 10 0 ADAEHM CC([O-])=C1C[C@H](c2ccco2)OC1=O 57489195 166311278 /nfs/dbraw/zinc/31/12/78/166311278.db2.gz ABVSTYPGGGDKDJ-VXNVDRBHSA-N -1 3 194.186 1.473 10 0 ADAEHM CC([O-])=C1C[C@@H](c2ccco2)OC1=O 57489200 166312290 /nfs/dbraw/zinc/31/22/90/166312290.db2.gz ABVSTYPGGGDKDJ-APPZFPTMSA-N -1 3 194.186 1.473 10 0 ADAEHM CC(=O)c1[nH]c2ccccc2c1[O-] 100285350 166312402 /nfs/dbraw/zinc/31/24/02/166312402.db2.gz CAEVCAMDZHRUNF-SECBINFHSA-N -1 3 175.187 1.252 10 0 ADAEHM CC(=O)c1c(C)cncc1[O-] 95773734 166313121 /nfs/dbraw/zinc/31/31/21/166313121.db2.gz KXQQSDCMZVWJOO-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM CC(=O)c1c(O)c(C)c([O-])c(C)c1O 5764971 166313297 /nfs/dbraw/zinc/31/32/97/166313297.db2.gz GIMGGNBXMNVHHR-UHFFFAOYSA-N -1 3 196.202 1.623 10 0 ADAEHM CC(=O)c1c(O)ccc(F)c1[O-] 75558393 166315838 /nfs/dbraw/zinc/31/58/38/166315838.db2.gz YFRRHNKVHQCDQJ-UHFFFAOYSA-N -1 3 170.139 1.440 10 0 ADAEHM CC(=O)c1cc(C)c([O-])cc1O 39650972 166315866 /nfs/dbraw/zinc/31/58/66/166315866.db2.gz UCOPLHZKEWBGSP-UHFFFAOYSA-N -1 3 166.176 1.609 10 0 ADAEHM CC(=O)c1cnc(C(F)(F)F)[n-]1 34069039 166316246 /nfs/dbraw/zinc/31/62/46/166316246.db2.gz WOVPBIZADKZIOS-UHFFFAOYSA-N -1 3 178.113 1.631 10 0 ADAEHM CC(=O)c1c[n-]c(C(F)(F)F)n1 34069039 166316250 /nfs/dbraw/zinc/31/62/50/166316250.db2.gz WOVPBIZADKZIOS-UHFFFAOYSA-N -1 3 178.113 1.631 10 0 ADAEHM CC(=O)c1c[n-]c2sccc2c1=O 39220134 166316706 /nfs/dbraw/zinc/31/67/06/166316706.db2.gz XEJZOGLXECBLTP-UHFFFAOYSA-N -1 3 193.227 1.792 10 0 ADAEHM CC(=O)c1cc(C)c([O-])c(C)c1O 13484852 166316737 /nfs/dbraw/zinc/31/67/37/166316737.db2.gz AMZNYVFIWCPUAY-UHFFFAOYSA-N -1 3 180.203 1.917 10 0 biogenic ADAEHM CC(=O)c1c([O-])ccc2n[nH]cc12 59691601 166316907 /nfs/dbraw/zinc/31/69/07/166316907.db2.gz RQIDCVJRKXJFNM-UHFFFAOYSA-N -1 3 176.175 1.471 10 0 ADAEHM CC(=O)c1c([O-])ccc(F)c1F 75926812 166316932 /nfs/dbraw/zinc/31/69/32/166316932.db2.gz XHVFNKVLITZGMV-UHFFFAOYSA-N -1 3 172.130 1.873 10 0 ADAEHM CC(=O)c1cc(C)c([O-])c(N)c1 41652448 166317485 /nfs/dbraw/zinc/31/74/85/166317485.db2.gz HCQUIJAXIHGNTL-UHFFFAOYSA-N -1 3 165.192 1.485 10 0 ADAEHM CC(=O)c1cnc2ccsc2c1[O-] 39220136 166317689 /nfs/dbraw/zinc/31/76/89/166317689.db2.gz ZEODAVZLWOFEAJ-UHFFFAOYSA-N -1 3 193.227 1.792 10 0 ADAEHM CC(=O)c1c[nH]c2c(O)ccc([O-])c12 1764845 166317780 /nfs/dbraw/zinc/31/77/80/166317780.db2.gz OQYUROIQQZKCTH-UHFFFAOYSA-N -1 3 191.186 1.782 10 0 ADAEHM CC(=O)c1cc([O-])cc(C(C)=O)c1 78973503 166318735 /nfs/dbraw/zinc/31/87/35/166318735.db2.gz VCJZBAHXVFBVPO-UHFFFAOYSA-N -1 3 178.187 1.797 10 0 ADAEHM CC(=O)c1cc(Cl)[n-]c(=O)c1 95766458 166318867 /nfs/dbraw/zinc/31/88/67/166318867.db2.gz DZQWVUOWDRMQNF-UHFFFAOYSA-N -1 3 171.583 1.643 10 0 ADAEHM CC(=O)c1cc([O-])cc(C=O)c1 39071508 166318986 /nfs/dbraw/zinc/31/89/86/166318986.db2.gz UXXCCFATYRDBSF-UHFFFAOYSA-N -1 3 164.160 1.407 10 0 ADAEHM CC(=O)c1cc(Cl)cc(=O)[n-]1 95766333 166319120 /nfs/dbraw/zinc/31/91/20/166319120.db2.gz JIVVVDQAFPLDAU-UHFFFAOYSA-N -1 3 171.583 1.231 10 0 ADAEHM CC(=O)c1cc(=O)c(Cl)c[n-]1 95763755 166319897 /nfs/dbraw/zinc/31/98/97/166319897.db2.gz SICMEJLKWGCGKN-UHFFFAOYSA-N -1 3 171.583 1.643 10 0 ADAEHM CC(=O)c1cc(C)oc1[O-] 100218829 166319930 /nfs/dbraw/zinc/31/99/30/166319930.db2.gz DJYVCPPODZIDRA-UHFFFAOYSA-N -1 3 140.138 1.496 10 0 ADAEHM CC(=O)c1cc([O-])ccc1NC=O 75568976 166320346 /nfs/dbraw/zinc/32/03/46/166320346.db2.gz HNXPGCKJVGHBLB-UHFFFAOYSA-N -1 3 179.175 1.163 10 0 ADAEHM CC(=O)c1cc(=O)c(C(C)=O)c[n-]1 95773783 166320632 /nfs/dbraw/zinc/32/06/32/166320632.db2.gz JUCLIWOFGABWCU-UHFFFAOYSA-N -1 3 179.175 1.192 10 0 ADAEHM CC(=O)c1cc(C)ncc1[O-] 95763847 166320770 /nfs/dbraw/zinc/32/07/70/166320770.db2.gz ZSXQCOABOMBOAM-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM CC(=O)c1cc(N)c([O-])c(C(C)=O)c1 75581136 166320844 /nfs/dbraw/zinc/32/08/44/166320844.db2.gz XWOMLLYJIHQXLB-UHFFFAOYSA-N -1 3 193.202 1.380 10 0 ADAEHM CC(=O)c1cc2ncoc2cc1[O-] 41652431 166321856 /nfs/dbraw/zinc/32/18/56/166321856.db2.gz WURJHBDILUXJHD-UHFFFAOYSA-N -1 3 177.159 1.736 10 0 ADAEHM CC(=O)c1ccc2c(c1)C(=O)C(=O)[N-]2 31866868 166323776 /nfs/dbraw/zinc/32/37/76/166323776.db2.gz AZGVVLJKUZCTMV-UHFFFAOYSA-N -1 3 189.170 1.024 10 0 ADAEHM CC(=O)c1ccc(Cl)c(=O)[n-]1 95773686 166324052 /nfs/dbraw/zinc/32/40/52/166324052.db2.gz VJUWSOOIWSLVMV-UHFFFAOYSA-N -1 3 171.583 1.231 10 0 ADAEHM CC(=O)c1ccc([O-])c(N(C)C)c1 75569221 166325612 /nfs/dbraw/zinc/32/56/12/166325612.db2.gz XIJFZWYCMCZYSQ-UHFFFAOYSA-N -1 3 179.219 1.661 10 0 ADAEHM CC(=O)c1ccc([O-])c2c1OCCO2 5438772 166325833 /nfs/dbraw/zinc/32/58/33/166325833.db2.gz JTCQHKLPDZBYKO-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM CC(=O)c1ccc(Cl)[n-]c1=O 95762228 166326144 /nfs/dbraw/zinc/32/61/44/166326144.db2.gz OOOJOZZOJNGEHT-UHFFFAOYSA-N -1 3 171.583 1.643 10 0 ADAEHM CC(=O)c1ccc([O-])c2c1OCO2 117327003 166326231 /nfs/dbraw/zinc/32/62/31/166326231.db2.gz POZTXSCXRXGHJV-UHFFFAOYSA-N -1 3 180.159 1.324 10 0 ADAEHM CC(=O)c1cccc2c1[N-]C(=O)C2=O 31866869 166326563 /nfs/dbraw/zinc/32/65/63/166326563.db2.gz SZVXVUDNHABKCW-UHFFFAOYSA-N -1 3 189.170 1.024 10 0 ADAEHM CC(=O)c1cccc(C=O)c1[O-] 75545947 166326758 /nfs/dbraw/zinc/32/67/58/166326758.db2.gz OPPZJAAVEDSDPQ-UHFFFAOYSA-N -1 3 164.160 1.407 10 0 ADAEHM CC(=O)c1cccc(C(C)=O)c1[O-] 12648466 166328632 /nfs/dbraw/zinc/32/86/32/166328632.db2.gz XGDPKNPKFQJUFN-UHFFFAOYSA-N -1 3 178.187 1.797 10 0 ADAEHM CC(=O)c1ccoc1[O-] 34412643 166329425 /nfs/dbraw/zinc/32/94/25/166329425.db2.gz VDNHFNJDOMSGRN-UHFFFAOYSA-N -1 3 126.111 1.188 10 0 ADAEHM CC(=O)c1c[n-]c(Cl)cc1=O 95773778 166330270 /nfs/dbraw/zinc/33/02/70/166330270.db2.gz GGFVSXSAHGYOQW-UHFFFAOYSA-N -1 3 171.583 1.643 10 0 ADAEHM CC(=O)c1cnc(-c2ccco2)[n-]1 41199455 166330921 /nfs/dbraw/zinc/33/09/21/166330921.db2.gz BRUQNEMDXFLGSU-UHFFFAOYSA-N -1 3 176.175 1.872 10 0 ADAEHM CC(=O)c1c[n-]c(-c2ccco2)n1 41199455 166330923 /nfs/dbraw/zinc/33/09/23/166330923.db2.gz BRUQNEMDXFLGSU-UHFFFAOYSA-N -1 3 176.175 1.872 10 0 ADAEHM CC(=O)c1ccnc(C)c1[O-] 39069601 166331120 /nfs/dbraw/zinc/33/11/20/166331120.db2.gz HNJZCIAQPFNVNV-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM CC(=O)c1ccnc(C(C)=O)c1[O-] 95773717 166331286 /nfs/dbraw/zinc/33/12/86/166331286.db2.gz NMHWPJJEIYQDSB-UHFFFAOYSA-N -1 3 179.175 1.192 10 0 ADAEHM CC(=O)c1n[n-]c2ccccc2c1=O 5030782 166332130 /nfs/dbraw/zinc/33/21/30/166332130.db2.gz RZXNQPGHGIDBQX-UHFFFAOYSA-N -1 3 188.186 1.126 10 0 ADAEHM CC(=O)c1csc(=S)[n-]1 39070842 166332144 /nfs/dbraw/zinc/33/21/44/166332144.db2.gz GICNZNXWCILKJY-UHFFFAOYSA-N -1 3 159.235 1.634 10 0 ADAEHM CC(=O)c1nc(Cl)ccc1[O-] 95763708 166333537 /nfs/dbraw/zinc/33/35/37/166333537.db2.gz GDFQAHYQOGMXBO-UHFFFAOYSA-N -1 3 171.583 1.643 10 0 ADAEHM CC(=O)c1nc(C)ccc1[O-] 95763843 166333766 /nfs/dbraw/zinc/33/37/66/166333766.db2.gz ZHXFIAWKTKFCKA-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM CC(=O)c1nccc(C)c1[O-] 95773883 166334627 /nfs/dbraw/zinc/33/46/27/166334627.db2.gz SRFZNGODUJKMTN-UHFFFAOYSA-N -1 3 151.165 1.298 10 0 ADAEHM CC(=O)c1[n-]ccc(=O)c1Cl 95763757 166334718 /nfs/dbraw/zinc/33/47/18/166334718.db2.gz BNOJWYPOGIDQND-UHFFFAOYSA-N -1 3 171.583 1.643 10 0 ADAEHM CC(=O)c1nc2cccc(F)c2[n-]1 62365578 166334775 /nfs/dbraw/zinc/33/47/75/166334775.db2.gz PIOOKDDTRGKZRW-UHFFFAOYSA-N -1 3 178.166 1.905 10 0 ADAEHM CC(=O)c1nc2c(F)cccc2[n-]1 62365578 166334778 /nfs/dbraw/zinc/33/47/78/166334778.db2.gz PIOOKDDTRGKZRW-UHFFFAOYSA-N -1 3 178.166 1.905 10 0 ADAEHM CC(=O)c1[n-]ccc(=O)c1C(C)=O 95773799 166334823 /nfs/dbraw/zinc/33/48/23/166334823.db2.gz VJQLZPCUTCTCKV-UHFFFAOYSA-N -1 3 179.175 1.192 10 0 ADAEHM CC(=O)n1[n-]cc2c(=O)cccc1-2 238082690 166337458 /nfs/dbraw/zinc/33/74/58/166337458.db2.gz NRENIBFGGVDEDM-UHFFFAOYSA-N -1 3 176.175 1.402 10 0 ADAEHM CC(=O)n1ncc2c([O-])cccc21 238082690 166337461 /nfs/dbraw/zinc/33/74/61/166337461.db2.gz NRENIBFGGVDEDM-UHFFFAOYSA-N -1 3 176.175 1.402 10 0 ADAEHM CC(C(=O)[O-])=C1CCN(C)CC1 33487587 166337727 /nfs/dbraw/zinc/33/77/27/166337727.db2.gz IJZVPLUALNBZRU-UHFFFAOYSA-N -1 3 169.224 1.113 10 0 ADAEHM CC(=O)n1[n-]c2ccc(C)cc2c1=O 39128693 166338803 /nfs/dbraw/zinc/33/88/03/166338803.db2.gz ROABPYFOISNXEN-UHFFFAOYSA-N -1 3 190.202 1.298 10 0 ADAEHM CC(C)(C)N1CCC(=CC(=O)[O-])CC1 71507544 166360714 /nfs/dbraw/zinc/36/07/14/166360714.db2.gz CBHLJLUZRPNBSU-UHFFFAOYSA-N -1 3 197.278 1.892 10 0 ADAEHM CC(C)(C)c1cc([O-])ccc1C(N)=O 95709842 166383061 /nfs/dbraw/zinc/38/30/61/166383061.db2.gz AOQKSSBNFJAUEW-UHFFFAOYSA-N -1 3 193.246 1.789 10 0 ADAEHM CC(C)(C)c1cc([O-])cc(C(N)=O)c1 95709829 166383112 /nfs/dbraw/zinc/38/31/12/166383112.db2.gz RRBROOCKNANVQX-UHFFFAOYSA-N -1 3 193.246 1.789 10 0 ADAEHM CC(C)(C)c1ccc(C(N)=O)c([O-])c1 38293044 166384005 /nfs/dbraw/zinc/38/40/05/166384005.db2.gz LDCZDFYPSSDDMQ-UHFFFAOYSA-N -1 3 193.246 1.789 10 0 ADAEHM CC(C)(C)c1ccc([O-])c(C(N)=O)c1 71452796 166384639 /nfs/dbraw/zinc/38/46/39/166384639.db2.gz UHZBFQAMDOUBOI-UHFFFAOYSA-N -1 3 193.246 1.789 10 0 ADAEHM CC(C)(C)c1cccc([O-])c1C(N)=O 95709902 166385287 /nfs/dbraw/zinc/38/52/87/166385287.db2.gz BDPWOKHQYQZWEK-UHFFFAOYSA-N -1 3 193.246 1.789 10 0 ADAEHM CC(C)(C)c1cccc(C(N)=O)c1[O-] 95709894 166385424 /nfs/dbraw/zinc/38/54/24/166385424.db2.gz SUPCJVBMEWYJIY-UHFFFAOYSA-N -1 3 193.246 1.789 10 0 ADAEHM CCCCCc1cc(=O)[n-]c(N)n1 28825111 166878978 /nfs/dbraw/zinc/87/89/78/166878978.db2.gz FZOQWSSCUUVBKF-UHFFFAOYSA-N -1 3 181.239 1.085 10 0 ADAEHM CCCNc1nc(CCC)cc(=O)[n-]1 5924147 167007901 /nfs/dbraw/zinc/00/79/01/167007901.db2.gz GTNYRAZCMNFZDN-UHFFFAOYSA-N -1 3 195.266 1.544 10 0 ADAEHM CCCNc1nc(=O)[n-]cc1F 253570419 167008614 /nfs/dbraw/zinc/00/86/14/167008614.db2.gz NOFIZYRHYIMOMG-UHFFFAOYSA-N -1 3 171.175 1.143 10 0 ADAEHM CCCNc1nc(C(C)C)cc(=O)[n-]1 58824095 167008634 /nfs/dbraw/zinc/00/86/34/167008634.db2.gz FKNXQWAQOQOLPZ-UHFFFAOYSA-N -1 3 195.266 1.715 10 0 ADAEHM CCCOC(=S)[N-]CC 34624589 167012770 /nfs/dbraw/zinc/01/27/70/167012770.db2.gz SWDYQJANDQUWFH-UHFFFAOYSA-N -1 3 147.243 1.307 10 0 ADAEHM CCCOc1cc(=O)[n-]c(CC)n1 45817394 167016988 /nfs/dbraw/zinc/01/69/88/167016988.db2.gz DYTOWKIDBXMVKR-UHFFFAOYSA-N -1 3 182.223 1.121 10 0 ADAEHM CCCOc1cc(=O)[n-]c(CCC)n1 39121152 167017068 /nfs/dbraw/zinc/01/70/68/167017068.db2.gz VJSSAZNGCWNUQP-UHFFFAOYSA-N -1 3 196.250 1.511 10 0 ADAEHM CCCOc1cc(=O)[n-]c(C(C)C)n1 39121192 167017337 /nfs/dbraw/zinc/01/73/37/167017337.db2.gz YNFREXXADPEHDG-UHFFFAOYSA-N -1 3 196.250 1.682 10 0 ADAEHM CCCOc1cccc(C=O)c1[O-] 75569867 167019044 /nfs/dbraw/zinc/01/90/44/167019044.db2.gz DFIYBCQWNYMGBR-UHFFFAOYSA-N -1 3 180.203 1.994 10 0 ADAEHM CCCSc1ncc([O-])cn1 3130154 167026266 /nfs/dbraw/zinc/02/62/66/167026266.db2.gz NDOWLGBEDKUSIS-UHFFFAOYSA-N -1 3 170.237 1.684 10 0 ADAEHM CCC[C@@H](Nc1nccn1C)C(=O)[O-] 50605122 167050173 /nfs/dbraw/zinc/05/01/73/167050173.db2.gz OIMWXIHNGZWRHN-SSDOTTSWSA-N -1 3 197.238 1.085 10 0 ADAEHM CCC[C@@H]1CC(=O)C(C)=C1[O-] 39059543 167052323 /nfs/dbraw/zinc/05/23/23/167052323.db2.gz IQCMQLSNVWARPF-NKWVEPMBSA-N -1 3 154.209 1.581 10 0 ADAEHM CCC[C@@H]1CC(=O)C(C)=C1[O-] 39059545 167052550 /nfs/dbraw/zinc/05/25/50/167052550.db2.gz IQCMQLSNVWARPF-RNFRBKRXSA-N -1 3 154.209 1.581 10 0 ADAEHM CCC[C@@H]1N[C@@H](C(=O)[O-])CCS1 37737297 167055557 /nfs/dbraw/zinc/05/55/57/167055557.db2.gz GWODQLDGUQIQBS-RNFRBKRXSA-N -1 3 189.280 1.292 10 0 ADAEHM CCC[C@@H]1N[C@H](C(=O)[O-])CCS1 37737295 167056534 /nfs/dbraw/zinc/05/65/34/167056534.db2.gz GWODQLDGUQIQBS-NKWVEPMBSA-N -1 3 189.280 1.292 10 0 ADAEHM CCC[C@@](N)(C(=O)[O-])c1ccccc1 19430943 167058088 /nfs/dbraw/zinc/05/80/88/167058088.db2.gz PPGOLBYDWLHWGD-NSHDSACASA-N -1 3 193.246 1.725 10 0 ADAEHM CCC[C@H](Nc1nccn1C)C(=O)[O-] 50605120 167085557 /nfs/dbraw/zinc/08/55/57/167085557.db2.gz OIMWXIHNGZWRHN-ZETCQYMHSA-N -1 3 197.238 1.085 10 0 ADAEHM CCC[C@H]1CC(=O)C(C)=C1[O-] 39059546 167087534 /nfs/dbraw/zinc/08/75/34/167087534.db2.gz IQCMQLSNVWARPF-RQJHMYQMSA-N -1 3 154.209 1.581 10 0 ADAEHM CCC[C@H]1CC(=O)C(C)=C1[O-] 39059544 167088754 /nfs/dbraw/zinc/08/87/54/167088754.db2.gz IQCMQLSNVWARPF-BQBZGAKWSA-N -1 3 154.209 1.581 10 0 ADAEHM CCC[C@H]1N[C@H](C(=O)[O-])CCS1 37737296 167089737 /nfs/dbraw/zinc/08/97/37/167089737.db2.gz GWODQLDGUQIQBS-BQBZGAKWSA-N -1 3 189.280 1.292 10 0 ADAEHM CCC[C@H]1N[C@@H](C(=O)[O-])CCS1 37737298 167091246 /nfs/dbraw/zinc/09/12/46/167091246.db2.gz GWODQLDGUQIQBS-RQJHMYQMSA-N -1 3 189.280 1.292 10 0 ADAEHM CCC[C@](N)(C(=O)[O-])c1ccccc1 19430944 167094714 /nfs/dbraw/zinc/09/47/14/167094714.db2.gz PPGOLBYDWLHWGD-LLVKDONJSA-N -1 3 193.246 1.725 10 0 ADAEHM CCCc1cc(Cl)c([O-])c(=O)o1 90423502 167098796 /nfs/dbraw/zinc/09/87/96/167098796.db2.gz ANUQLWQHSUVKJR-UHFFFAOYSA-N -1 3 188.610 1.951 10 0 ADAEHM CCCc1cc(=O)[n-]c(NCC)n1 58824044 167099228 /nfs/dbraw/zinc/09/92/28/167099228.db2.gz MFMPFVQWGROGGF-UHFFFAOYSA-N -1 3 181.239 1.154 10 0 ADAEHM CCCc1c([O-])ccc2c1OCC2=O 144622736 167099930 /nfs/dbraw/zinc/09/99/30/167099930.db2.gz GNXVQMPEYHPIEI-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CCCc1c(O)ccc2c([O-])coc12 144622736 167099932 /nfs/dbraw/zinc/09/99/32/167099932.db2.gz GNXVQMPEYHPIEI-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM CCCc1cc(=O)[n-]c(NC2CC2)n1 58823953 167100234 /nfs/dbraw/zinc/10/02/34/167100234.db2.gz ZCRWOJFDPGJALI-UHFFFAOYSA-N -1 3 193.250 1.297 10 0 ADAEHM CCCc1cc(=O)[n-]c(NC(C)C)n1 58824115 167100308 /nfs/dbraw/zinc/10/03/08/167100308.db2.gz SQPALMONUCKARQ-UHFFFAOYSA-N -1 3 195.266 1.543 10 0 ADAEHM CCCc1c(Cl)[nH]c(=O)[n-]c1=O 14972719 167100732 /nfs/dbraw/zinc/10/07/32/167100732.db2.gz DTSULQDNDBSJQV-UHFFFAOYSA-N -1 3 188.614 1.081 10 0 in-vivo ADAEHM CCCc1cc(=O)[n-]c(C(C)C)n1 37409032 167101563 /nfs/dbraw/zinc/10/15/63/167101563.db2.gz HJYSPNZXQUXZFL-UHFFFAOYSA-N -1 3 180.251 1.846 10 0 ADAEHM CCCc1cc2c[n-]c(=O)nc2o1 58568825 167104339 /nfs/dbraw/zinc/10/43/39/167104339.db2.gz IMOBZXSMHKZTRO-UHFFFAOYSA-N -1 3 178.191 1.469 10 0 ADAEHM CCCc1cccc2c1[N-]C(=O)C2=O 32169994 167106116 /nfs/dbraw/zinc/10/61/16/167106116.db2.gz SMRPGQVXPNCTFA-UHFFFAOYSA-N -1 3 189.214 1.774 10 0 ADAEHM CCCc1cccc2c1[nH]c(=O)n2[O-] 95578324 167107059 /nfs/dbraw/zinc/10/70/59/167107059.db2.gz YDGNEUAJYIQHDZ-UHFFFAOYSA-N -1 3 192.218 1.519 10 0 ADAEHM CCCc1nc(C)c(C)c(=O)[n-]1 35287851 167109264 /nfs/dbraw/zinc/10/92/64/167109264.db2.gz OMOINPCFCMSASJ-UHFFFAOYSA-N -1 3 166.224 1.339 10 0 ADAEHM CCCc1nc(C(C)C)cc(=O)[n-]1 36915827 167109714 /nfs/dbraw/zinc/10/97/14/167109714.db2.gz XVXXXVOCOZGHFW-UHFFFAOYSA-N -1 3 180.251 1.846 10 0 ADAEHM CCCc1nc(CC)cc(=O)[n-]1 36915826 167110311 /nfs/dbraw/zinc/11/03/11/167110311.db2.gz UNKPKCLCMPQPQQ-UHFFFAOYSA-N -1 3 166.224 1.285 10 0 ADAEHM CCCc1nc(C)c(CC)c(=O)[n-]1 35287852 167111326 /nfs/dbraw/zinc/11/13/26/167111326.db2.gz KUNQFARDDXDOMG-UHFFFAOYSA-N -1 3 180.251 1.593 10 0 ADAEHM CCCc1nc([O-])c(CCC)c(=O)[nH]1 35287833 167111550 /nfs/dbraw/zinc/11/15/50/167111550.db2.gz SMSFDVHVAFWPNY-UHFFFAOYSA-N -1 3 196.250 1.381 10 0 ADAEHM CCCc1nc2c(c(=O)[n-]1)CCC2 42401198 167112193 /nfs/dbraw/zinc/11/21/93/167112193.db2.gz DYDYCEXWCUGGNU-UHFFFAOYSA-N -1 3 178.235 1.211 10 0 ADAEHM CCCc1nc2c(c(=O)[n-]1)CCCC2 42404116 167113429 /nfs/dbraw/zinc/11/34/29/167113429.db2.gz CMZAZFAQZOWJFB-UHFFFAOYSA-N -1 3 192.262 1.601 10 0 ADAEHM CCCn1cnc2c([O-])ccc(O)c21 45238267 167121438 /nfs/dbraw/zinc/12/14/38/167121438.db2.gz BDEFEKWIHCHBOA-UHFFFAOYSA-N -1 3 192.218 1.858 10 0 ADAEHM CCN(C(N)=O)c1ccccc1[O-] 75569946 167130025 /nfs/dbraw/zinc/13/00/25/167130025.db2.gz GNDZGAYXZLBOGP-UHFFFAOYSA-N -1 3 180.207 1.297 10 0 ADAEHM CCN(C)C(=O)c1ccc([O-])cc1 37079157 167141730 /nfs/dbraw/zinc/14/17/30/167141730.db2.gz SQACUTLWUVMRSO-UHFFFAOYSA-N -1 3 179.219 1.484 10 0 ADAEHM CCN(C)Cc1cc(C)c(C(=O)[O-])o1 36812825 167143800 /nfs/dbraw/zinc/14/38/00/167143800.db2.gz MXSYDALXDBAWFY-UHFFFAOYSA-N -1 3 197.234 1.738 10 0 ADAEHM CCN(C)Cc1occc1C(=O)[O-] 35433019 167145708 /nfs/dbraw/zinc/14/57/08/167145708.db2.gz IVOAOJCEUQXEMP-UHFFFAOYSA-N -1 3 183.207 1.430 10 0 ADAEHM CCN(C)Cc1cccnc1C(=O)[O-] 62751272 167147102 /nfs/dbraw/zinc/14/71/02/167147102.db2.gz JOHBFZMECIVZEF-UHFFFAOYSA-N -1 3 194.234 1.232 10 0 ADAEHM CCN(C)c1cncc([O-])c1 72192825 167151976 /nfs/dbraw/zinc/15/19/76/167151976.db2.gz OGFKYOGKBOKNPS-UHFFFAOYSA-N -1 3 152.197 1.243 10 0 ADAEHM CCN(CC)c1cncc([O-])c1 72192821 167175526 /nfs/dbraw/zinc/17/55/26/167175526.db2.gz HRGXSTGRQIWCFK-UHFFFAOYSA-N -1 3 166.224 1.633 10 0 ADAEHM CCN(CC)c1nc(C)c(C)c(=O)[n-]1 40887713 167177777 /nfs/dbraw/zinc/17/77/77/167177777.db2.gz SSUYLGJSTCYSAW-UHFFFAOYSA-N -1 3 195.266 1.233 10 0 ADAEHM CCN(CC)c1nc([O-])cs1 100324037 167177898 /nfs/dbraw/zinc/17/78/98/167177898.db2.gz XZECBEYYQKVWHY-UHFFFAOYSA-N -1 3 172.253 1.695 10 0 ADAEHM CCN(CCC(=O)[O-])c1ccncc1 38024062 167178812 /nfs/dbraw/zinc/17/88/12/167178812.db2.gz QDSLOVAICTUDKB-UHFFFAOYSA-N -1 3 194.234 1.383 10 0 ADAEHM CCN1Cc2cc([O-])ccc2C1=O 75567281 167228050 /nfs/dbraw/zinc/22/80/50/167228050.db2.gz FWGRQLUMCXKSJN-UHFFFAOYSA-N -1 3 177.203 1.368 10 0 ADAEHM CCNC(=O)Nc1ccc(C)cc1[O-] 40887367 167246959 /nfs/dbraw/zinc/24/69/59/167246959.db2.gz UPIXPWMYKGZRIW-UHFFFAOYSA-N -1 3 194.234 1.842 10 0 ADAEHM CCNC(=O)c1ccc(OC)cc1[O-] 19837323 167251649 /nfs/dbraw/zinc/25/16/49/167251649.db2.gz CRTQMLYLXWHTIC-UHFFFAOYSA-N -1 3 195.218 1.151 10 0 ADAEHM CCNC(=O)c1ccc(C)c(C)c1[O-] 335905434 167252980 /nfs/dbraw/zinc/25/29/80/167252980.db2.gz HNQQCGAHGXDNCU-UHFFFAOYSA-N -1 3 193.246 1.759 10 0 ADAEHM CC[N-]C(=S)OC(C)C 3875940 167254758 /nfs/dbraw/zinc/25/47/58/167254758.db2.gz KIACEOHPIRTHMI-UHFFFAOYSA-N -1 3 147.243 1.306 10 0 ADAEHM CCNCc1cn2cccc([O-])c2n1 76790344 167277147 /nfs/dbraw/zinc/27/71/47/167277147.db2.gz AQRREJRCWYLVRR-UHFFFAOYSA-N -1 3 191.234 1.149 10 0 ADAEHM CCNc1ccc2c(c1)C(=O)[N-]C2=O 19966502 167310459 /nfs/dbraw/zinc/31/04/59/167310459.db2.gz WTDVPZGMHYEOPC-UHFFFAOYSA-N -1 3 190.202 1.002 10 0 ADAEHM CCNc1nc(C)cc(C)c1C(=O)[O-] 37978224 167313882 /nfs/dbraw/zinc/31/38/82/167313882.db2.gz RKURZFIQHUCKMF-UHFFFAOYSA-N -1 3 194.234 1.828 10 0 ADAEHM CCNc1nc(C(C)C)cc(=O)[n-]1 58824052 167314633 /nfs/dbraw/zinc/31/46/33/167314633.db2.gz DTMLNJUCHKYIRJ-UHFFFAOYSA-N -1 3 181.239 1.325 10 0 ADAEHM CCOC(=O)C(Cl)=C(C)[O-] 100103313 167316967 /nfs/dbraw/zinc/31/69/67/167316967.db2.gz YDWMMDXLIPZMFG-SNAWJCMRSA-N -1 3 164.588 1.578 10 0 ADAEHM CCOC(=O)/C=C/c1ccc([O-])cn1 90463342 167320426 /nfs/dbraw/zinc/32/04/26/167320426.db2.gz ZCKFAUNOEUXRNR-GQCTYLIASA-N -1 3 193.202 1.364 10 0 ADAEHM CCOC(=O)[N-]Sc1ccccn1 45815010 167342394 /nfs/dbraw/zinc/34/23/94/167342394.db2.gz GXJTWGIHMUGTER-UHFFFAOYSA-N -1 3 198.247 1.835 10 0 ADAEHM CCOC(=O)Nc1ccccc1[O-] 5325913 167345942 /nfs/dbraw/zinc/34/59/42/167345942.db2.gz KZTKVXKUFOPSLC-UHFFFAOYSA-N -1 3 181.191 1.961 10 0 ADAEHM CCOC(=O)C1=C(C)C([O-])=NC1C 5857850 167366481 /nfs/dbraw/zinc/36/64/81/167366481.db2.gz JNQZBAQUMFAVOI-UHFFFAOYSA-N -1 3 183.207 1.514 10 0 ADAEHM CCOC(=O)C1=CC([O-])=NC1C 100039694 167369467 /nfs/dbraw/zinc/36/94/67/167369467.db2.gz UROVJFQDJBKYAZ-UHFFFAOYSA-N -1 3 169.180 1.205 10 0 ADAEHM CCOC(=O)c1n[n-]c(C2CC2)c1F 142307364 167373923 /nfs/dbraw/zinc/37/39/23/167373923.db2.gz KGGFIVNXBRQXNI-UHFFFAOYSA-N -1 3 198.197 1.603 10 0 ADAEHM CCOC(=O)c1[n-]nc(C2CC2)c1F 142307364 167373926 /nfs/dbraw/zinc/37/39/26/167373926.db2.gz KGGFIVNXBRQXNI-UHFFFAOYSA-N -1 3 198.197 1.603 10 0 ADAEHM CCOC(=S)[N-]C(C)(C)C 135795 167376961 /nfs/dbraw/zinc/37/69/61/167376961.db2.gz JYELMZRQESRZKR-UHFFFAOYSA-N -1 3 161.270 1.696 10 0 ADAEHM CCOC([S-])=NC(=O)C(C)(C)C 39126003 167376988 /nfs/dbraw/zinc/37/69/88/167376988.db2.gz YUAGWZYLQJUVKX-UHFFFAOYSA-N -1 3 189.280 1.470 10 0 ADAEHM CCOC(=S)[N-]C(=O)C(C)(C)C 39126003 167376990 /nfs/dbraw/zinc/37/69/90/167376990.db2.gz YUAGWZYLQJUVKX-UHFFFAOYSA-N -1 3 189.280 1.470 10 0 ADAEHM CCOC(=O)c1[n-]ccc(=O)c1C 253602485 167377695 /nfs/dbraw/zinc/37/76/95/167377695.db2.gz OVLMLOLVDZMFQU-UHFFFAOYSA-N -1 3 181.191 1.272 10 0 ADAEHM CCOC(=S)[N-]C(C)C 33841267 167377731 /nfs/dbraw/zinc/37/77/31/167377731.db2.gz IWWVRDOBXIVXGR-UHFFFAOYSA-N -1 3 147.243 1.306 10 0 ADAEHM CCOC(=S)[N-]c1ccccn1 148257199 167378933 /nfs/dbraw/zinc/37/89/33/167378933.db2.gz RBNHOKLZIHLXGS-UHFFFAOYSA-N -1 3 182.248 1.815 10 0 ADAEHM CCOP1C=C(C)[N-]N1C(C)=O 1445033 167399928 /nfs/dbraw/zinc/39/99/28/167399928.db2.gz SVIBUNOAXULAFQ-UHFFFAOYSA-N -1 3 188.167 1.573 10 0 ADAEHM CC[C@H](C)n1c(=O)[n-][nH]c1=S 166627 167636085 /nfs/dbraw/zinc/63/60/85/167636085.db2.gz MDZQFAWYOWYIRZ-BYPYZUCNSA-N -1 3 173.241 1.205 10 0 ADAEHM CC[C@](N)(C(=O)[O-])c1ccc(O)cc1 19476737 167708851 /nfs/dbraw/zinc/70/88/51/167708851.db2.gz HTMXINXCPNIGJG-SNVBAGLBSA-N -1 3 195.218 1.041 10 0 ADAEHM CCc1cc(=O)[n-]c(N(CC)CC)n1 40887706 167721915 /nfs/dbraw/zinc/72/19/15/167721915.db2.gz DXBZWACFKIMAMU-UHFFFAOYSA-N -1 3 195.266 1.179 10 0 ADAEHM CCc1ccc2c(c1)C(=O)[N-]C2=O 39111424 167744780 /nfs/dbraw/zinc/74/47/80/167744780.db2.gz LJYSAYYNGPZUES-UHFFFAOYSA-N -1 3 175.187 1.133 10 0 ADAEHM CN(C)Cc1ccc(C(=O)[O-])s1 4661911 167845460 /nfs/dbraw/zinc/84/54/60/167845460.db2.gz MRIADWLEOQOBHL-UHFFFAOYSA-N -1 3 185.248 1.508 10 0 ADAEHM CN(N=O)c1ccccc1[O-] 27650321 167891192 /nfs/dbraw/zinc/89/11/92/167891192.db2.gz PTOCNKSXDLHDSI-UHFFFAOYSA-N -1 3 152.153 1.510 10 0 ADAEHM CNC(=O)c1cc([O-])cc(SC)c1 95712181 167976056 /nfs/dbraw/zinc/97/60/56/167976056.db2.gz YQJRMIGEECACLJ-UHFFFAOYSA-N -1 3 197.259 1.474 10 0 ADAEHM CNC(=O)c1ccc([O-])c(SC)c1 95723210 167976113 /nfs/dbraw/zinc/97/61/13/167976113.db2.gz WHTYDQHBVZRUNQ-UHFFFAOYSA-N -1 3 197.259 1.474 10 0 ADAEHM CN[C@@H](C(=O)[O-])c1cccc(C)c1F 76171357 168028448 /nfs/dbraw/zinc/02/84/48/168028448.db2.gz XHCCQMYBSYFJBV-SECBINFHSA-N -1 3 197.209 1.479 10 0 ADAEHM CN[C@@H](C(=O)[O-])c1cc(C)ccc1F 76171362 168028523 /nfs/dbraw/zinc/02/85/23/168028523.db2.gz JRBRCZVAFNKBQQ-SECBINFHSA-N -1 3 197.209 1.479 10 0 ADAEHM CN[C@@H](C)c1nc(C(=O)[O-])cs1 83341147 168035194 /nfs/dbraw/zinc/03/51/94/168035194.db2.gz BYGXCBIJVAQZEZ-BYPYZUCNSA-N -1 3 186.236 1.122 10 0 ADAEHM CN[C@@H](C)c1cn2cccc([O-])c2n1 76790366 168035392 /nfs/dbraw/zinc/03/53/92/168035392.db2.gz RYBYIDIJNMHJME-ZETCQYMHSA-N -1 3 191.234 1.320 10 0 ADAEHM CN[C@@](C)(C(=O)[O-])c1ccccc1F 37180757 168044669 /nfs/dbraw/zinc/04/46/69/168044669.db2.gz UXWZKOXFZQWXFH-SNVBAGLBSA-N -1 3 197.209 1.345 10 0 ADAEHM CN[C@H](C(=O)[O-])c1cc(C)ccc1F 76171359 168046790 /nfs/dbraw/zinc/04/67/90/168046790.db2.gz JRBRCZVAFNKBQQ-VIFPVBQESA-N -1 3 197.209 1.479 10 0 ADAEHM CN[C@H](C(=O)[O-])c1cccc(C)c1F 76171356 168047911 /nfs/dbraw/zinc/04/79/11/168047911.db2.gz XHCCQMYBSYFJBV-VIFPVBQESA-N -1 3 197.209 1.479 10 0 ADAEHM CN[C@H](C)c1cn2cccc([O-])c2n1 76790369 168051388 /nfs/dbraw/zinc/05/13/88/168051388.db2.gz RYBYIDIJNMHJME-SSDOTTSWSA-N -1 3 191.234 1.320 10 0 ADAEHM CN[C@](C)(C(=O)[O-])c1ccccc1F 37180759 168060783 /nfs/dbraw/zinc/06/07/83/168060783.db2.gz UXWZKOXFZQWXFH-JTQLQIEISA-N -1 3 197.209 1.345 10 0 ADAEHM CNc1cc(C(C)=O)ccc1[O-] 45796510 168062247 /nfs/dbraw/zinc/06/22/47/168062247.db2.gz ISOIKKDOUXGCSD-UHFFFAOYSA-N -1 3 165.192 1.637 10 0 ADAEHM CNc1cc([O-])ccc1C(=O)N(C)C 95724258 168065096 /nfs/dbraw/zinc/06/50/96/168065096.db2.gz YFKYQJXOZMXWOB-UHFFFAOYSA-N -1 3 194.234 1.136 10 0 ADAEHM CNc1cc(C=O)ccc1[O-] 95722371 168065530 /nfs/dbraw/zinc/06/55/30/168065530.db2.gz QQNHOQKCRMNKHA-UHFFFAOYSA-N -1 3 151.165 1.246 10 0 ADAEHM CNc1cc([O-])cc(F)c1 84426193 168065741 /nfs/dbraw/zinc/06/57/41/168065741.db2.gz OMFZOMQRAJTRHT-UHFFFAOYSA-N -1 3 141.145 1.573 10 0 ADAEHM CNc1cc([O-])ccc1C(C)=O 75546632 168065798 /nfs/dbraw/zinc/06/57/98/168065798.db2.gz MUFLLEXLXKPWJX-UHFFFAOYSA-N -1 3 165.192 1.637 10 0 ADAEHM CNc1cccc(C(=O)N(C)C)c1[O-] 95723455 168066858 /nfs/dbraw/zinc/06/68/58/168066858.db2.gz ZKRPXOALWOMVJU-UHFFFAOYSA-N -1 3 194.234 1.136 10 0 ADAEHM CNc1cccc([O-])c1C(=O)N(C)C 95712668 168067881 /nfs/dbraw/zinc/06/78/81/168067881.db2.gz FJOUWHQHWXJQJY-UHFFFAOYSA-N -1 3 194.234 1.136 10 0 ADAEHM CNc1cccc([O-])c1F 84426191 168068708 /nfs/dbraw/zinc/06/87/08/168068708.db2.gz PKMXLBIAMPRJGN-UHFFFAOYSA-N -1 3 141.145 1.573 10 0 ADAEHM CNc1nc(C)c(C(C)C)c(=O)[n-]1 61688228 168069684 /nfs/dbraw/zinc/06/96/84/168069684.db2.gz ZFMNRNXYUFAWJU-UHFFFAOYSA-N -1 3 181.239 1.243 10 0 ADAEHM CNc1nc(C(C)(C)C)cc(=O)[n-]1 40887676 168069827 /nfs/dbraw/zinc/06/98/27/168069827.db2.gz QGOWAFJVYJOYEO-UHFFFAOYSA-N -1 3 181.239 1.109 10 0 ADAEHM CNc1nc(C)cc(C)c1C(=O)[O-] 37978221 168070268 /nfs/dbraw/zinc/07/02/68/168070268.db2.gz QZLJNJXOAHDJFN-UHFFFAOYSA-N -1 3 180.207 1.438 10 0 ADAEHM CNc1nc2ccccc2[n-]c1=S 33823813 168071990 /nfs/dbraw/zinc/07/19/90/168071990.db2.gz YAWXXIUFHZKRIW-UHFFFAOYSA-N -1 3 191.259 1.960 10 0 ADAEHM CNc1nc2c([O-])ccc(O)c2n1C 95924415 168072142 /nfs/dbraw/zinc/07/21/42/168072142.db2.gz RYWOEDAVTCGDIK-UHFFFAOYSA-N -1 3 193.206 1.026 10 0 ADAEHM O=[N+]([O-])/C=C/c1cc([O-])cc(F)c1 135275007 343957965 /nfs/dbraw/zinc/95/79/65/343957965.db2.gz GNGXRTMUNUKWNW-OWOJBTEDSA-N -1 3 183.138 1.779 10 0 ADAEHM COC(=O)CSc1ncccc1[O-] 39117417 168095617 /nfs/dbraw/zinc/09/56/17/168095617.db2.gz LKGZXVLDEFSVIG-UHFFFAOYSA-N -1 3 199.231 1.052 10 0 ADAEHM COC(=O)Cc1cc(F)ccc1[O-] 82724510 168097429 /nfs/dbraw/zinc/09/74/29/168097429.db2.gz UYCYNMSBIJBVOJ-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM COC(=O)Nc1ccc(C)cc1[O-] 40887361 168103817 /nfs/dbraw/zinc/10/38/17/168103817.db2.gz OXPMQVDWVVNKQR-UHFFFAOYSA-N -1 3 181.191 1.879 10 0 ADAEHM COC(=O)[C@@H](C)c1ccc([O-])c(F)c1 39416977 168107799 /nfs/dbraw/zinc/10/77/99/168107799.db2.gz JWDCDRGIUPUMNO-LURJTMIESA-N -1 3 198.193 1.808 10 0 ADAEHM COC(=O)[C@H](C)c1ccc([O-])c(F)c1 39416978 168119325 /nfs/dbraw/zinc/11/93/25/168119325.db2.gz JWDCDRGIUPUMNO-ZCFIWIBFSA-N -1 3 198.193 1.808 10 0 ADAEHM COC(=O)c1cc(C)c2n[n-]nc2c1 71864425 168126219 /nfs/dbraw/zinc/12/62/19/168126219.db2.gz CPZPOBHYWYUEQT-UHFFFAOYSA-N -1 3 191.190 1.053 10 0 ADAEHM COC(=O)c1c[n-]c(=S)o1 39088170 168126287 /nfs/dbraw/zinc/12/62/87/168126287.db2.gz YZQKCNSFFDWCHD-UHFFFAOYSA-N -1 3 159.166 1.124 10 0 ADAEHM COC(=O)c1cc(C)c([O-])cc1O 75575838 168127140 /nfs/dbraw/zinc/12/71/40/168127140.db2.gz ADAYLBXFCVGNKY-UHFFFAOYSA-N -1 3 182.175 1.193 10 0 ADAEHM COC(=O)c1c([O-])ccc(F)c1F 47202336 168127548 /nfs/dbraw/zinc/12/75/48/168127548.db2.gz RCFOXNLIVBRMJP-UHFFFAOYSA-N -1 3 188.129 1.457 10 0 ADAEHM COC(=O)c1cc(F)c(F)cc1[O-] 47202350 168128484 /nfs/dbraw/zinc/12/84/84/168128484.db2.gz CEUYGAJZMUKAPE-UHFFFAOYSA-N -1 3 188.129 1.457 10 0 ADAEHM COC(=O)c1cc([O-])cc(C(C)=O)c1 95764593 168129481 /nfs/dbraw/zinc/12/94/81/168129481.db2.gz NIEZGIWUVGOTEY-UHFFFAOYSA-N -1 3 194.186 1.381 10 0 ADAEHM COC(=O)c1cc2c([n-]1)C(=O)CCC2 88608605 168130239 /nfs/dbraw/zinc/13/02/39/168130239.db2.gz JVSYLKYTGBAWRR-UHFFFAOYSA-N -1 3 193.202 1.320 10 0 ADAEHM COC(=O)c1ccc([O-])c(C)c1OC 75598838 168131701 /nfs/dbraw/zinc/13/17/01/168131701.db2.gz ZLUNRZITKFBMKH-UHFFFAOYSA-N -1 3 196.202 1.496 10 0 ADAEHM COC(=O)c1coc2cccc([O-])c12 61997406 168136963 /nfs/dbraw/zinc/13/69/63/168136963.db2.gz CWOCAHBSTFQEJI-UHFFFAOYSA-N -1 3 192.170 1.925 10 0 ADAEHM COC(=O)c1[n-][nH]c2cccc(=O)c1-2 4204277 168137968 /nfs/dbraw/zinc/13/79/68/168137968.db2.gz XSKZDDNBWFRWSM-UHFFFAOYSA-N -1 3 192.174 1.055 10 0 ADAEHM COC(=O)c1n[nH]c2cccc([O-])c12 4204277 168137969 /nfs/dbraw/zinc/13/79/69/168137969.db2.gz XSKZDDNBWFRWSM-UHFFFAOYSA-N -1 3 192.174 1.055 10 0 ADAEHM COC(=O)c1noc2cc([O-])ccc12 250430268 168138672 /nfs/dbraw/zinc/13/86/72/168138672.db2.gz RFYFFSYAFRBWEB-UHFFFAOYSA-N -1 3 193.158 1.320 10 0 ADAEHM COCCC(=O)C=C([O-])C(F)(F)F 100491169 168152696 /nfs/dbraw/zinc/15/26/96/168152696.db2.gz BVGVEUNEJAFFFC-UHFFFAOYSA-N -1 3 198.140 1.114 10 0 ADAEHM COCCc1ccc2occ([O-])c2c1 35652514 168174834 /nfs/dbraw/zinc/17/48/34/168174834.db2.gz AARDZGZFTNVCCD-UHFFFAOYSA-N -1 3 192.214 1.451 10 0 ADAEHM COCCc1nc(C(C)C)cc(=O)[n-]1 42436345 168175137 /nfs/dbraw/zinc/17/51/37/168175137.db2.gz GJKICCRTUAXERY-UHFFFAOYSA-N -1 3 196.250 1.082 10 0 ADAEHM COCc1cc(=O)[n-]c(C(C)(C)C)n1 51699998 168192666 /nfs/dbraw/zinc/19/26/66/168192666.db2.gz BPLXICIIGNLQOR-UHFFFAOYSA-N -1 3 196.250 1.214 10 0 ADAEHM COCc1c([O-])cccc1C=O 75547029 168193469 /nfs/dbraw/zinc/19/34/69/168193469.db2.gz VCLXRDQDGHRUFI-UHFFFAOYSA-N -1 3 166.176 1.351 10 0 ADAEHM COCc1cc(=O)[n-]c(CC(C)C)n1 51700025 168193624 /nfs/dbraw/zinc/19/36/24/168193624.db2.gz ZRSVBXNZHZJPMF-UHFFFAOYSA-N -1 3 196.250 1.115 10 0 ADAEHM COCc1nc(-c2ccco2)n[n-]1 40175810 168195156 /nfs/dbraw/zinc/19/51/56/168195156.db2.gz ZEYCQSLHLDFWKS-UHFFFAOYSA-N -1 3 179.179 1.211 10 0 ADAEHM COCc1cc(O)cc(Cl)c1[O-] 29042315 168195188 /nfs/dbraw/zinc/19/51/88/168195188.db2.gz IOIPLIMWDHKVPG-UHFFFAOYSA-N -1 3 188.610 1.898 10 0 ADAEHM COCc1cc(N)cc(Cl)c1[O-] 39631887 168195320 /nfs/dbraw/zinc/19/53/20/168195320.db2.gz DUUQNFARRLZNOX-UHFFFAOYSA-N -1 3 187.626 1.774 10 0 ADAEHM COCc1nc2ccc([O-])cc2o1 58007261 168196713 /nfs/dbraw/zinc/19/67/13/168196713.db2.gz IAXGSLHAVHKOJE-UHFFFAOYSA-N -1 3 179.175 1.680 10 0 ADAEHM CO[N-]C(=O)N(C)c1ccccc1 29048813 168201641 /nfs/dbraw/zinc/20/16/41/168201641.db2.gz OODYXEVLTZOEPK-UHFFFAOYSA-N -1 3 180.207 1.394 10 0 ADAEHM CONCc1ccc([O-])c(F)c1 82856152 168201693 /nfs/dbraw/zinc/20/16/93/168201693.db2.gz YDGMZMCOMIMJRO-UHFFFAOYSA-N -1 3 171.171 1.182 10 0 ADAEHM CON=C([O-])Oc1ccccc1 62139314 168202349 /nfs/dbraw/zinc/20/23/49/168202349.db2.gz WCMDBGGJBGZLDL-UHFFFAOYSA-N -1 3 167.164 1.336 10 0 ADAEHM CO[N-]C(=O)Oc1ccccc1 62139314 168202352 /nfs/dbraw/zinc/20/23/52/168202352.db2.gz WCMDBGGJBGZLDL-UHFFFAOYSA-N -1 3 167.164 1.336 10 0 ADAEHM CON=C([O-])OCc1ccccc1 34319978 168202866 /nfs/dbraw/zinc/20/28/66/168202866.db2.gz AHIFCIGMRWDNTA-UHFFFAOYSA-N -1 3 181.191 1.474 10 0 ADAEHM CO[N-]C(=O)OCc1ccccc1 34319978 168202868 /nfs/dbraw/zinc/20/28/68/168202868.db2.gz AHIFCIGMRWDNTA-UHFFFAOYSA-N -1 3 181.191 1.474 10 0 ADAEHM CO[C@H]1OCc2c1cnc(C)c2[O-] 11737093 168220989 /nfs/dbraw/zinc/22/09/89/168220989.db2.gz VJLOSNVTUZXNCI-VIFPVBQESA-N -1 3 181.191 1.271 10 0 ADAEHM COc1c(C)cccc1[C@@H](N)C(=O)[O-] 82386753 168222791 /nfs/dbraw/zinc/22/27/91/168222791.db2.gz DRFGDVFYOHZBPQ-MRVPVSSYSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1c(C)cccc1[C@H](N)C(=O)[O-] 82386752 168223895 /nfs/dbraw/zinc/22/38/95/168223895.db2.gz DRFGDVFYOHZBPQ-QMMMGPOBSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1c(C(C)=O)ccc([O-])c1C 34235806 168224164 /nfs/dbraw/zinc/22/41/64/168224164.db2.gz CCQGUHQJIFXYOW-UHFFFAOYSA-N -1 3 180.203 1.912 10 0 ADAEHM COc1c(N)c([O-])cc2occc12 75568975 168224624 /nfs/dbraw/zinc/22/46/24/168224624.db2.gz BOHXHPPIFDBWAY-UHFFFAOYSA-N -1 3 179.175 1.729 10 0 ADAEHM COc1c(C=O)c([O-])cc2c1CCO2 82387640 168225202 /nfs/dbraw/zinc/22/52/02/168225202.db2.gz RZFBAXYGYWEMGZ-UHFFFAOYSA-N -1 3 194.186 1.148 10 0 ADAEHM COc1c(F)ccc([O-])c1C(C)=O 75576402 168225994 /nfs/dbraw/zinc/22/59/94/168225994.db2.gz RBDQTWZZZPNGFI-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM COc1cc(=O)[n-]c(C(C)(C)C)n1 34264301 168226676 /nfs/dbraw/zinc/22/66/76/168226676.db2.gz WTRJNJSYUUFXIL-UHFFFAOYSA-N -1 3 182.223 1.076 10 0 ADAEHM COc1c([O-])ccc2c1OCCC2=O 39168909 168227356 /nfs/dbraw/zinc/22/73/56/168227356.db2.gz BTSVRWZMRJJPLX-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM COc1c([O-])cc(C=O)cc1F 26579073 168227723 /nfs/dbraw/zinc/22/77/23/168227723.db2.gz VRDDRZSMMLHVJZ-UHFFFAOYSA-N -1 3 170.139 1.352 10 0 ADAEHM COc1cc(C(=O)C2CC2)ccc1[O-] 71455485 168227901 /nfs/dbraw/zinc/22/79/01/168227901.db2.gz HIVIDMNDKWCKMD-UHFFFAOYSA-N -1 3 192.214 1.994 10 0 ADAEHM COc1cc(C)cc2c([O-])coc12 35652476 168230073 /nfs/dbraw/zinc/23/00/73/168230073.db2.gz TUWVUUSADXOWLY-UHFFFAOYSA-N -1 3 178.187 1.579 10 0 ADAEHM COc1cc(C)cc2c1[N-]C(=O)C2=O 82588429 168230078 /nfs/dbraw/zinc/23/00/78/168230078.db2.gz DUVSRHQKHUHIQC-UHFFFAOYSA-N -1 3 191.186 1.138 10 0 ADAEHM COc1cc(C)cc([O-])c1F 39088670 168231201 /nfs/dbraw/zinc/23/12/01/168231201.db2.gz JRUPKKUMCQAMGW-UHFFFAOYSA-N -1 3 156.156 1.848 10 0 ADAEHM COc1cc(C)cc2c([O-])c(C)oc12 43632984 168231323 /nfs/dbraw/zinc/23/13/23/168231323.db2.gz BPHSXEFPJFHUMF-ZETCQYMHSA-N -1 3 192.214 1.967 10 0 ADAEHM COc1cc([O-])cc(N=O)c1 20232060 168236605 /nfs/dbraw/zinc/23/66/05/168236605.db2.gz BSOKHJNRKZOGOF-UHFFFAOYSA-N -1 3 153.137 1.799 10 0 ADAEHM COc1cc([O-])ccc1C(N)=S 83340828 168236881 /nfs/dbraw/zinc/23/68/81/168236881.db2.gz FJOFWBCQWNAXPH-UHFFFAOYSA-N -1 3 183.232 1.035 10 0 ADAEHM COc1cc([O-])c(N)c2ccoc12 82397393 168236908 /nfs/dbraw/zinc/23/69/08/168236908.db2.gz WTSQWTYDRUMEIQ-UHFFFAOYSA-N -1 3 179.175 1.729 10 0 ADAEHM COc1cc([O-])ccc1C(=O)N(C)C 95723847 168237583 /nfs/dbraw/zinc/23/75/83/168237583.db2.gz VWCHZFRAJJPBMP-UHFFFAOYSA-N -1 3 195.218 1.103 10 0 ADAEHM COc1cc([O-])cc(C(=O)N(C)C)c1 95722416 168237722 /nfs/dbraw/zinc/23/77/22/168237722.db2.gz MYWASOVKISUYMW-UHFFFAOYSA-N -1 3 195.218 1.103 10 0 ADAEHM COc1cc([O-])c(Cl)cc1O 75564921 168238222 /nfs/dbraw/zinc/23/82/22/168238222.db2.gz HZZNREBBIMHWQL-UHFFFAOYSA-N -1 3 174.583 1.760 10 0 ADAEHM COc1cc(=O)[n-]c(C(C)C)n1 147144175 168238450 /nfs/dbraw/zinc/23/84/50/168238450.db2.gz ZVPPHZDHBNMFNI-UHFFFAOYSA-N -1 3 168.196 1.314 10 0 ADAEHM COc1cc2nc[nH]c2cc1C(=O)[O-] 45238568 168240104 /nfs/dbraw/zinc/24/01/04/168240104.db2.gz QVURDMKCFPDXKS-UHFFFAOYSA-N -1 3 192.174 1.270 10 0 ADAEHM COc1cc2c(cc1[O-])CCCC2=O 5369361 168240161 /nfs/dbraw/zinc/24/01/61/168240161.db2.gz HCURFVXLTVKURV-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM COc1cc2c(=O)[nH]ccc2cc1[O-] 82767314 168241073 /nfs/dbraw/zinc/24/10/73/168241073.db2.gz IHSYHDVOQJTQDR-UHFFFAOYSA-N -1 3 191.186 1.242 10 0 ADAEHM COc1cc2c(cc1[O-])C[C@@H](C)C2=O 27656874 168241398 /nfs/dbraw/zinc/24/13/98/168241398.db2.gz HIQOGHGGZYIFQJ-ZCFIWIBFSA-N -1 3 192.214 1.776 10 0 ADAEHM COc1cc2c(cc1[O-])C[C@H](C)C2=O 27656873 168241601 /nfs/dbraw/zinc/24/16/01/168241601.db2.gz HIQOGHGGZYIFQJ-LURJTMIESA-N -1 3 192.214 1.776 10 0 ADAEHM COc1cc2[nH]cc(C=O)c2cc1[O-] 148797616 168241629 /nfs/dbraw/zinc/24/16/29/168241629.db2.gz HNVFJFKIAZKORL-UHFFFAOYSA-N -1 3 191.186 1.695 10 0 ADAEHM COc1cc2c(cc1[O-])nc(C)n2C 45238259 168241654 /nfs/dbraw/zinc/24/16/54/168241654.db2.gz WKKDBHZYROJASK-UHFFFAOYSA-N -1 3 192.218 1.596 10 0 ADAEHM COc1ccc(C(N)=S)c([O-])c1 11953947 168245798 /nfs/dbraw/zinc/24/57/98/168245798.db2.gz IDIBEPMQYPRWCS-UHFFFAOYSA-N -1 3 183.232 1.035 10 0 ADAEHM COc1ccc(C=O)c([O-])c1C 38973171 168247531 /nfs/dbraw/zinc/24/75/31/168247531.db2.gz MWCPNBQNOZAZCM-UHFFFAOYSA-N -1 3 166.176 1.522 10 0 in-vitro ADAEHM COc1ccc(C)cc1[C@H](N)C(=O)[O-] 3676837 168247736 /nfs/dbraw/zinc/24/77/36/168247736.db2.gz HJUMSZYNNJAINL-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM COc1ccc(C)cc1[C@@H](N)C(=O)[O-] 3676838 168247944 /nfs/dbraw/zinc/24/79/44/168247944.db2.gz HJUMSZYNNJAINL-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1ccc(C=O)c([O-])c1C(C)=O 62720153 168248053 /nfs/dbraw/zinc/24/80/53/168248053.db2.gz HAMPPEIXQADOJH-UHFFFAOYSA-N -1 3 194.186 1.416 10 0 ADAEHM COc1ccc(CO[N-]C(C)=O)cc1 5160349 168250350 /nfs/dbraw/zinc/25/03/50/168250350.db2.gz RDSUGUYIRHIUJH-UHFFFAOYSA-N -1 3 195.218 1.263 10 0 ADAEHM COc1ccc(Cl)c(=O)[n-]1 95763950 168251690 /nfs/dbraw/zinc/25/16/90/168251690.db2.gz WSILUQLVDZCTNA-UHFFFAOYSA-N -1 3 159.572 1.037 10 0 ADAEHM COc1ccc(F)c(OC)c1[O-] 75561888 168252804 /nfs/dbraw/zinc/25/28/04/168252804.db2.gz ZMFOLNVPRFJZFM-UHFFFAOYSA-N -1 3 172.155 1.549 10 0 ADAEHM COc1ccc(F)c(C=O)c1[O-] 82403914 168253031 /nfs/dbraw/zinc/25/30/31/168253031.db2.gz ZHKPHJFAXZCKDQ-UHFFFAOYSA-N -1 3 170.139 1.352 10 0 ADAEHM COc1ccc(F)c([O-])c1C(C)=O 75576403 168253093 /nfs/dbraw/zinc/25/30/93/168253093.db2.gz QLKBNAFKURZPAN-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM COc1ccc(N)c(Cl)c1[O-] 39129550 168254720 /nfs/dbraw/zinc/25/47/20/168254720.db2.gz MOAOLFPDOYZANV-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM COc1ccc([C@@H](N)C(=O)[O-])c(C)c1 82895549 168258140 /nfs/dbraw/zinc/25/81/40/168258140.db2.gz GFKJLWREEQUWBW-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1ccc([C@H](N)C(=O)[O-])c(C)c1 72191109 168260035 /nfs/dbraw/zinc/26/00/35/168260035.db2.gz GFKJLWREEQUWBW-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM COc1ccc2c(c1)CC(=S)[N-]2 21990032 168261071 /nfs/dbraw/zinc/26/10/71/168261071.db2.gz TVOLWPKLORCABU-UHFFFAOYSA-N -1 3 179.244 1.991 10 0 ADAEHM COc1ccc2c(c1)[N-]C(=S)C2 21990045 168263085 /nfs/dbraw/zinc/26/30/85/168263085.db2.gz OWRKWUZRIYXOMU-UHFFFAOYSA-N -1 3 179.244 1.991 10 0 ADAEHM COc1ccc2cc[nH]c(=O)c2c1[O-] 82767315 168264765 /nfs/dbraw/zinc/26/47/65/168264765.db2.gz WOUMQYAESQCVPC-UHFFFAOYSA-N -1 3 191.186 1.242 10 0 ADAEHM COc1ccc2c(c1C)[N-]C(=O)C2=O 95933446 168264778 /nfs/dbraw/zinc/26/47/78/168264778.db2.gz MLAKMNXYCQXOPO-UHFFFAOYSA-N -1 3 191.186 1.138 10 0 ADAEHM COc1ccc2c(c1[O-])OCCC2=O 34450363 168265441 /nfs/dbraw/zinc/26/54/41/168265441.db2.gz SQRMPBVPQNLUBZ-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM COc1ccc2nc(=O)[n-]c(C)c2c1 29213639 168266775 /nfs/dbraw/zinc/26/67/75/168266775.db2.gz VMWCTBKJVZEMRW-UHFFFAOYSA-N -1 3 190.202 1.240 10 0 ADAEHM COc1ccc2oc(=O)ccc2c1[O-] 13481526 168266906 /nfs/dbraw/zinc/26/69/06/168266906.db2.gz CIWXNUFLRXYBQV-UHFFFAOYSA-N -1 3 192.170 1.507 10 0 ADAEHM COc1cccc(N=O)c1[O-] 39089225 168269466 /nfs/dbraw/zinc/26/94/66/168269466.db2.gz WSLDTAPGWGCYFG-UHFFFAOYSA-N -1 3 153.137 1.799 10 0 ADAEHM COc1cccc([O-])c1C1OCCO1 44231827 168271056 /nfs/dbraw/zinc/27/10/56/168271056.db2.gz OWMWPCASMGSHNK-UHFFFAOYSA-N -1 3 196.202 1.446 10 0 ADAEHM COc1cnc2cccc([O-])c2n1 39134435 168281040 /nfs/dbraw/zinc/28/10/40/168281040.db2.gz LYPGPVFFVUJFEV-UHFFFAOYSA-N -1 3 176.175 1.344 10 0 ADAEHM COc1nc2c([O-])cccc2n1C 39147926 168284126 /nfs/dbraw/zinc/28/41/26/168284126.db2.gz LPVCJEUTLDSCRF-UHFFFAOYSA-N -1 3 178.191 1.288 10 0 ADAEHM COc1nc2ccc(Cl)cc2n1[O-] 45238498 168284578 /nfs/dbraw/zinc/28/45/78/168284578.db2.gz AXROFZUQFUKQAV-UHFFFAOYSA-N -1 3 198.609 1.936 10 0 ADAEHM COc1[n-]cnc2nnc(Cl)c1-2 89222616 168288171 /nfs/dbraw/zinc/28/81/71/168288171.db2.gz XBSGJRSJBASNEQ-UHFFFAOYSA-N -1 3 184.586 1.015 10 0 ADAEHM COc1nc[n-]c2nnc(Cl)c1-2 89222616 168288172 /nfs/dbraw/zinc/28/81/72/168288172.db2.gz XBSGJRSJBASNEQ-UHFFFAOYSA-N -1 3 184.586 1.015 10 0 ADAEHM COc1ncnc2n[n-]c(Cl)c12 89222616 168288174 /nfs/dbraw/zinc/28/81/74/168288174.db2.gz XBSGJRSJBASNEQ-UHFFFAOYSA-N -1 3 184.586 1.015 10 0 ADAEHM COc1ncnc2[n-]nc(Cl)c12 89222616 168288176 /nfs/dbraw/zinc/28/81/76/168288176.db2.gz XBSGJRSJBASNEQ-UHFFFAOYSA-N -1 3 184.586 1.015 10 0 ADAEHM CS(=O)(=O)[N-]c1ccsc1 39271809 168293780 /nfs/dbraw/zinc/29/37/80/168293780.db2.gz AFGHFCCHDXJYFO-UHFFFAOYSA-N -1 3 177.250 1.120 10 0 ADAEHM CSC(=O)c1ccc([O-])cc1O 6485244 168296417 /nfs/dbraw/zinc/29/64/17/168296417.db2.gz HCKYYRACFJNVHK-UHFFFAOYSA-N -1 3 184.216 1.601 10 0 ADAEHM CSCC(=O)Nc1ncccc1[O-] 306849719 168298329 /nfs/dbraw/zinc/29/83/29/168298329.db2.gz OFSMQFJGKVDVRJ-UHFFFAOYSA-N -1 3 198.247 1.089 10 0 ADAEHM CSCC(=O)Nc1ccccc1[O-] 306257723 168298500 /nfs/dbraw/zinc/29/85/00/168298500.db2.gz QVEROVIMVROWEZ-UHFFFAOYSA-N -1 3 197.259 1.694 10 0 ADAEHM CSCCc1nc(C)c(C)c(=O)[n-]1 39423844 168301953 /nfs/dbraw/zinc/30/19/53/168301953.db2.gz RVMQJHNLJGPDLW-UHFFFAOYSA-N -1 3 198.291 1.292 10 0 ADAEHM CSCCc1cc(=O)[nH][n-]1 27105915 168303315 /nfs/dbraw/zinc/30/33/15/168303315.db2.gz ABGDQZPEEFHCJN-UHFFFAOYSA-N -1 3 158.226 1.021 10 0 ADAEHM CSc1cc(C(N)=O)ccc1[O-] 95724186 168308747 /nfs/dbraw/zinc/30/87/47/168308747.db2.gz GAVQKNISRNKUTB-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1cc([O-])ccc1C(N)=O 95720029 168308897 /nfs/dbraw/zinc/30/88/97/168308897.db2.gz ZJTMFDWAHAKTKC-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1c([O-])cccc1C=O 95714072 168308978 /nfs/dbraw/zinc/30/89/78/168308978.db2.gz VPIXQGZAZKBXLC-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM CSc1c([O-])ccc2n[nH]cc12 89196987 168309196 /nfs/dbraw/zinc/30/91/96/168309196.db2.gz QNBYUHPNHADYIE-UHFFFAOYSA-N -1 3 180.232 1.990 10 0 ADAEHM CSc1c([O-])cccc1C(N)=O 95722355 168309542 /nfs/dbraw/zinc/30/95/42/168309542.db2.gz FKJUZTGHNKRPJS-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1cc([O-])cc(C(N)=O)c1 95713002 168309665 /nfs/dbraw/zinc/30/96/65/168309665.db2.gz SHSASFXTARTBBT-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1ccc(C(N)=O)c([O-])c1 95725191 168310711 /nfs/dbraw/zinc/31/07/11/168310711.db2.gz TZWDNMMEIIXAHM-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1ccc(C=O)cc1[O-] 95722705 168310797 /nfs/dbraw/zinc/31/07/97/168310797.db2.gz GVGFPSJIXWCGRC-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM CSc1ccc([O-])cc1C=O 95720149 168310807 /nfs/dbraw/zinc/31/08/07/168310807.db2.gz IIEZZYWOCSPANE-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM CSc1ccc(C=O)c([O-])c1 75556344 168310847 /nfs/dbraw/zinc/31/08/47/168310847.db2.gz CDBMMUODDOBLJH-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM CSc1ccc(C(N)=O)cc1[O-] 95723436 168311095 /nfs/dbraw/zinc/31/10/95/168311095.db2.gz GZKWCRIESSZWDC-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1ccc([O-])cc1C(N)=O 95722810 168311262 /nfs/dbraw/zinc/31/12/62/168311262.db2.gz WRPLEQFAGPGDPW-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1ccncc1[O-] 39051554 168312028 /nfs/dbraw/zinc/31/20/28/168312028.db2.gz ZLUZYPOQLNQREW-UHFFFAOYSA-N -1 3 141.195 1.509 10 0 ADAEHM CSc1cccc(C=O)c1[O-] 75556340 168312157 /nfs/dbraw/zinc/31/21/57/168312157.db2.gz HYCFWHIAROXTSC-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM CSc1ccccc1[C@H](N)C(=O)[O-] 72191131 168312187 /nfs/dbraw/zinc/31/21/87/168312187.db2.gz XLFWPOYEJYUFBL-QMMMGPOBSA-N -1 3 197.259 1.493 10 0 ADAEHM CSc1cccc([C@@H](N)C(=O)[O-])c1 82910454 168312557 /nfs/dbraw/zinc/31/25/57/168312557.db2.gz PAHIJVBUIZEQCP-MRVPVSSYSA-N -1 3 197.259 1.493 10 0 ADAEHM CSc1cccc([C@H](N)C(=O)[O-])c1 72191132 168312813 /nfs/dbraw/zinc/31/28/13/168312813.db2.gz PAHIJVBUIZEQCP-QMMMGPOBSA-N -1 3 197.259 1.493 10 0 ADAEHM CSc1cccc([O-])c1C=O 95719715 168312933 /nfs/dbraw/zinc/31/29/33/168312933.db2.gz XZBFLBJQXPHRJR-UHFFFAOYSA-N -1 3 168.217 1.927 10 0 ADAEHM CSc1ccc2c(c1)C(=O)C(=O)[N-]2 22162334 168312966 /nfs/dbraw/zinc/31/29/66/168312966.db2.gz QXXPJYJSTKYYTB-UHFFFAOYSA-N -1 3 193.227 1.543 10 0 ADAEHM CSc1cccc([O-])c1C(N)=O 95720323 168313303 /nfs/dbraw/zinc/31/33/03/168313303.db2.gz ASOZEEZLPAPAMH-UHFFFAOYSA-N -1 3 183.232 1.213 10 0 ADAEHM CSc1nc(=O)[n-]c2c1CCCC2 4317088 168313726 /nfs/dbraw/zinc/31/37/26/168313726.db2.gz XJNGUIHJDACJMS-UHFFFAOYSA-N -1 3 196.275 1.371 10 0 ADAEHM CSc1nnc(-c2ccco2)[n-]1 115211 168313926 /nfs/dbraw/zinc/31/39/26/168313926.db2.gz DFCLHPKPQFLWCA-UHFFFAOYSA-N -1 3 181.220 1.787 10 0 ADAEHM CSc1nc(-c2ccco2)n[n-]1 115211 168313930 /nfs/dbraw/zinc/31/39/30/168313930.db2.gz DFCLHPKPQFLWCA-UHFFFAOYSA-N -1 3 181.220 1.787 10 0 ADAEHM CSc1n[n-]c(-c2ccco2)n1 115211 168313933 /nfs/dbraw/zinc/31/39/33/168313933.db2.gz DFCLHPKPQFLWCA-UHFFFAOYSA-N -1 3 181.220 1.787 10 0 ADAEHM CSc1nc2[n-]ccc(=O)c2s1 39117301 168315380 /nfs/dbraw/zinc/31/53/80/168315380.db2.gz NGGUIXPRVVWSFP-UHFFFAOYSA-N -1 3 198.272 1.707 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@H](N)c1ccco1 57935636 168327817 /nfs/dbraw/zinc/32/78/17/168327817.db2.gz ZGYFWWUATFWCSN-VDTYLAMSSA-N -1 3 169.180 1.000 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@@H](N)c1ccco1 57935641 168328058 /nfs/dbraw/zinc/32/80/58/168328058.db2.gz ZGYFWWUATFWCSN-IYSWYEEDSA-N -1 3 169.180 1.000 10 0 ADAEHM C[C@@H](CC(=O)[O-])N(C)Cc1ccoc1 42448417 168333099 /nfs/dbraw/zinc/33/30/99/168333099.db2.gz OZEGEYDNQHZOSL-QMMMGPOBSA-N -1 3 197.234 1.575 10 0 ADAEHM C[C@@H](CC(=O)[O-])N(C)Cc1ccco1 35752720 168334559 /nfs/dbraw/zinc/33/45/59/168334559.db2.gz WBXPYNLJMGSJPM-QMMMGPOBSA-N -1 3 197.234 1.575 10 0 ADAEHM C[C@@H](CC(=O)[O-])Nc1ccncc1 37453182 168334970 /nfs/dbraw/zinc/33/49/70/168334970.db2.gz RYCBJRDRUDYUGH-ZETCQYMHSA-N -1 3 180.207 1.357 10 0 ADAEHM C[C@@H](CC(=O)[O-])N[C@H](C)c1ccco1 35750575 168335077 /nfs/dbraw/zinc/33/50/77/168335077.db2.gz ZDIROPXABWPPJN-JGVFFNPUSA-N -1 3 197.234 1.793 10 0 ADAEHM C[C@@H](CC(=O)[O-])NCc1ccccn1 35748420 168335520 /nfs/dbraw/zinc/33/55/20/168335520.db2.gz ASARPRKPTVDYIV-QMMMGPOBSA-N -1 3 194.234 1.034 10 0 ADAEHM C[C@@H](CC(=O)[O-])N[C@@H](C)c1ccco1 35750572 168335664 /nfs/dbraw/zinc/33/56/64/168335664.db2.gz ZDIROPXABWPPJN-YUMQZZPRSA-N -1 3 197.234 1.793 10 0 ADAEHM C[C@@H](CN[C@@H](C)c1ccco1)C(=O)[O-] 35759196 168348669 /nfs/dbraw/zinc/34/86/69/168348669.db2.gz VNIVSQLXVQGJOB-YUMQZZPRSA-N -1 3 197.234 1.651 10 0 ADAEHM C[C@@H](CN[C@H](C)c1ccco1)C(=O)[O-] 35759201 168349307 /nfs/dbraw/zinc/34/93/07/168349307.db2.gz VNIVSQLXVQGJOB-JGVFFNPUSA-N -1 3 197.234 1.651 10 0 ADAEHM C[C@@H](F)c1cc(=O)[n-]c(=S)[nH]1 36455949 168355909 /nfs/dbraw/zinc/35/59/09/168355909.db2.gz OIMOJWAQRGLWKW-GSVOUGTGSA-N -1 3 174.200 1.463 10 0 ADAEHM C[C@@H](N)C(=O)c1ccc(Cl)cc1[O-] 82912223 168357513 /nfs/dbraw/zinc/35/75/13/168357513.db2.gz NPFJKJGDTUTVJU-RXMQYKEDSA-N -1 3 199.637 1.576 10 0 ADAEHM C[C@@H](N)C(=O)c1cc(F)ccc1[O-] 82875492 168357668 /nfs/dbraw/zinc/35/76/68/168357668.db2.gz SGCPMZQNMSBPSS-RXMQYKEDSA-N -1 3 183.182 1.061 10 0 ADAEHM C[C@@H](N)C(=O)c1ccc(F)cc1[O-] 82875484 168360143 /nfs/dbraw/zinc/36/01/43/168360143.db2.gz AHDBFTPJMLFEQI-RXMQYKEDSA-N -1 3 183.182 1.061 10 0 ADAEHM C[C@@H](N)C(=O)c1cccc(F)c1[O-] 82875488 168360874 /nfs/dbraw/zinc/36/08/74/168360874.db2.gz DOIVXQVMTXWCHW-RXMQYKEDSA-N -1 3 183.182 1.061 10 0 ADAEHM C[C@@H](N)c1cc(F)c(F)c([O-])c1F 83592049 168369332 /nfs/dbraw/zinc/36/93/32/168369332.db2.gz RLUPTJGALHFVFJ-GSVOUGTGSA-N -1 3 191.152 1.829 10 0 ADAEHM C[C@@H](N)c1ccc(C(=O)[O-])s1 22862513 168370720 /nfs/dbraw/zinc/37/07/20/168370720.db2.gz PZSVHZMRCSAKTF-SCSAIBSYSA-N -1 3 171.221 1.466 10 0 ADAEHM C[C@@H](N)c1cn2cccc([O-])c2n1 76790364 168372178 /nfs/dbraw/zinc/37/21/78/168372178.db2.gz VAVYLSGOBHSHQC-ZCFIWIBFSA-N -1 3 177.207 1.060 10 0 ADAEHM C[C@@H](N)c1nc(C(C)(C)C)cc(=O)[n-]1 70947620 168372645 /nfs/dbraw/zinc/37/26/45/168372645.db2.gz NPHJSDHBHZPYRN-ZCFIWIBFSA-N -1 3 195.266 1.087 10 0 ADAEHM C[C@@H](N/C=C/c1ccccc1)C(=O)[O-] 100161639 168375174 /nfs/dbraw/zinc/37/51/74/168375174.db2.gz RCESYKVVJOWLEC-FCZSHJHJSA-N -1 3 191.230 1.720 10 0 ADAEHM C[C@@H](NCC(=O)[O-])c1ccccc1F 36723135 168379191 /nfs/dbraw/zinc/37/91/91/168379191.db2.gz YBLUKKYIPHALTC-SSDOTTSWSA-N -1 3 197.209 1.561 10 0 ADAEHM C[C@@H](O)CSc1ncccc1[O-] 75576938 168395725 /nfs/dbraw/zinc/39/57/25/168395725.db2.gz CBGSMAHBKKQGDJ-ZCFIWIBFSA-N -1 3 185.248 1.260 10 0 ADAEHM C[C@@H](c1ccco1)N([O-])C(N)=O 13762842 168405985 /nfs/dbraw/zinc/40/59/85/168405985.db2.gz YIBAXIRZUZKFMV-YFKPBYRVSA-N -1 3 170.168 1.111 10 0 ADAEHM C[C@@H]1CCc2[nH]c(=S)[n-]c(=O)c2C1 33846855 168444009 /nfs/dbraw/zinc/44/40/09/168444009.db2.gz LFVRHWGTTCUCFJ-RXMQYKEDSA-N -1 3 196.275 1.557 10 0 ADAEHM C[C@H](N)c1cn2cccc([O-])c2n1 76790362 168557241 /nfs/dbraw/zinc/55/72/41/168557241.db2.gz VAVYLSGOBHSHQC-LURJTMIESA-N -1 3 177.207 1.060 10 0 ADAEHM C[C@H](c1ccc[nH]1)N1CC(C(=O)[O-])C1 95088939 168590290 /nfs/dbraw/zinc/59/02/90/168590290.db2.gz NHAUNLZVNRKIDE-SSDOTTSWSA-N -1 3 194.234 1.092 10 0 ADAEHM Cc1c(Cl)cccc1[C@H](N)C(=O)[O-] 72191163 168710412 /nfs/dbraw/zinc/71/04/12/168710412.db2.gz LRGXMEQXHIIPPF-QMMMGPOBSA-N -1 3 199.637 1.733 10 0 ADAEHM Cc1cc([O-])c2cc(C=O)[nH]c2c1 82399200 168774205 /nfs/dbraw/zinc/77/42/05/168774205.db2.gz AVMQJBWCJHXURU-UHFFFAOYSA-N -1 3 175.187 1.994 10 0 ADAEHM Cc1cc2c(C=O)c([O-])ccc2[nH]1 82399222 168784957 /nfs/dbraw/zinc/78/49/57/168784957.db2.gz YBCRHFPXNKUOCC-UHFFFAOYSA-N -1 3 175.187 1.994 10 0 ADAEHM Cc1cn2ccc(C)c([O-])c2n1 39081682 168898644 /nfs/dbraw/zinc/89/86/44/168898644.db2.gz NJUDSROULHHHCX-UHFFFAOYSA-N -1 3 162.192 1.657 10 0 ADAEHM Cc1[nH]nc(-c2ccccc2[O-])c1N 75579104 168923427 /nfs/dbraw/zinc/92/34/27/168923427.db2.gz JHAAJJDPKVVXPY-UHFFFAOYSA-N -1 3 189.218 1.673 10 0 ADAEHM Cc1nnc2oc3cc([O-])ccc3n12 40538853 168994820 /nfs/dbraw/zinc/99/48/20/168994820.db2.gz WYNONYAYXWNMGG-UHFFFAOYSA-N -1 3 189.174 1.490 10 0 ADAEHM Cc1noc([N-]Cc2ccc(C)o2)n1 57353902 169000712 /nfs/dbraw/zinc/00/07/12/169000712.db2.gz AGXHXEYKWIGYAD-UHFFFAOYSA-N -1 3 193.206 1.892 10 0 ADAEHM Cc1noc([N-]Cc2ccccn2)n1 57353896 169001411 /nfs/dbraw/zinc/00/14/11/169001411.db2.gz KEOFJLXDCYAYHS-UHFFFAOYSA-N -1 3 190.206 1.385 10 0 ADAEHM Cc1[n-]oc(=O)c1C(C)C 20064347 169001731 /nfs/dbraw/zinc/00/17/31/169001731.db2.gz AQMHTCGXRNNKGA-UHFFFAOYSA-N -1 3 141.170 1.812 10 0 ADAEHM Cc1noc2nc(C(C)C)[n-]c(=O)c12 82388335 169002569 /nfs/dbraw/zinc/00/25/69/169002569.db2.gz PXVROPSJKREJGA-UHFFFAOYSA-N -1 3 193.206 1.343 10 0 ADAEHM Cc1oc(C(=O)[O-])cc1CN(C)C 40542636 169007495 /nfs/dbraw/zinc/00/74/95/169007495.db2.gz JXDCQYAZSGQTMY-UHFFFAOYSA-N -1 3 183.207 1.348 10 0 ADAEHM Cc1oc([C@H]2CCCN2)nc1C(=O)[O-] 75868514 169009360 /nfs/dbraw/zinc/00/93/60/169009360.db2.gz GPBXBLPFKGDORX-ZCFIWIBFSA-N -1 3 196.206 1.106 10 0 ADAEHM Cc1oc2c(O)cccc2c(=O)c1[O-] 75580464 169009435 /nfs/dbraw/zinc/00/94/35/169009435.db2.gz UFCJMFWVZXTSMX-UHFFFAOYSA-N -1 3 192.170 1.513 10 0 ADAEHM Cc1oc([C@@H]2CCCN2)nc1C(=O)[O-] 75868513 169010089 /nfs/dbraw/zinc/01/00/89/169010089.db2.gz GPBXBLPFKGDORX-LURJTMIESA-N -1 3 196.206 1.106 10 0 ADAEHM Cn1c(C=O)c([O-])c2ccccc21 6257262 169031638 /nfs/dbraw/zinc/03/16/38/169031638.db2.gz PJKLILSDGUSXDZ-UHFFFAOYSA-N -1 3 175.187 1.696 10 0 ADAEHM Cn1c(N)nc2cc([S-])ccc21 95922662 169033533 /nfs/dbraw/zinc/03/35/33/169033533.db2.gz HDLQRQKPYAJJNT-UHFFFAOYSA-N -1 3 179.248 1.444 10 0 ADAEHM Cn1cc(CC(=O)[O-])c2cnccc21 82390543 169038212 /nfs/dbraw/zinc/03/82/12/169038212.db2.gz CUCSYXLKPPOAOF-UHFFFAOYSA-N -1 3 190.202 1.200 10 0 ADAEHM Cn1cc(C=O)c2c([O-])cccc21 34165049 169038898 /nfs/dbraw/zinc/03/88/98/169038898.db2.gz RZRWBQDNVAZZRZ-UHFFFAOYSA-N -1 3 175.187 1.696 10 0 ADAEHM Cn1ccc2c(C=O)c([O-])ccc21 76600716 169047243 /nfs/dbraw/zinc/04/72/43/169047243.db2.gz MQOJCIAICRGFHT-UHFFFAOYSA-N -1 3 175.187 1.696 10 0 ADAEHM Cn1ccc2ccc([O-])c(C=O)c21 76600713 169048313 /nfs/dbraw/zinc/04/83/13/169048313.db2.gz NAHRJLGKSNVTOJ-UHFFFAOYSA-N -1 3 175.187 1.696 10 0 ADAEHM Cn1ccc2ccc(C=O)c([O-])c21 82399198 169048478 /nfs/dbraw/zinc/04/84/78/169048478.db2.gz QKCVFRCJRXKCHU-UHFFFAOYSA-N -1 3 175.187 1.696 10 0 ADAEHM Cn1cnnc1-c1ccccc1[O-] 75565234 169057248 /nfs/dbraw/zinc/05/72/48/169057248.db2.gz WBWFEHRZMXHWMO-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cn1nc(-c2ccco2)[n-]c1=S 39206109 169059922 /nfs/dbraw/zinc/05/99/22/169059922.db2.gz KBOBNFUAEBGALX-UHFFFAOYSA-N -1 3 181.220 1.738 10 0 ADAEHM Cn1ncc2cc(C=O)cc([O-])c21 82398879 169065105 /nfs/dbraw/zinc/06/51/05/169065105.db2.gz DJEWKPIHPDJZAI-UHFFFAOYSA-N -1 3 176.175 1.091 10 0 ADAEHM FC(F)(F)c1cncc(=S)[n-]1 96308622 169073122 /nfs/dbraw/zinc/07/31/22/169073122.db2.gz PMNSGNWZEHVHBG-UHFFFAOYSA-N -1 3 180.154 1.784 10 0 ADAEHM Fc1nccc2n[n-]cc12 95935602 169090230 /nfs/dbraw/zinc/09/02/30/169090230.db2.gz CUDTUWXPZSRGIU-UHFFFAOYSA-N -1 3 137.117 1.097 10 0 ADAEHM Fc1c[n-]c(F)c2ncnc1-2 89203281 169090288 /nfs/dbraw/zinc/09/02/88/169090288.db2.gz QBPJSVISRPFKIQ-UHFFFAOYSA-N -1 3 155.107 1.236 10 0 ADAEHM NC(=O)CC(=O)Nc1ccccc1[O-] 335737996 169142346 /nfs/dbraw/zinc/14/23/46/169142346.db2.gz VIGRNGONRWYGKH-UHFFFAOYSA-N -1 3 194.190 1.256 10 0 ADAEHM N=C(NO)c1cc(Cl)ccc1[O-] 52860841 169142448 /nfs/dbraw/zinc/14/24/48/169142448.db2.gz SBOXQSFOCIXAQR-UHFFFAOYSA-N -1 3 186.598 1.350 10 0 ADAEHM NC(=O)/C=C\c1ccc(Cl)cc1[O-] 44261420 169145863 /nfs/dbraw/zinc/14/58/63/169145863.db2.gz UZKRTTQYRMWMAX-RQOWECAXSA-N -1 3 197.621 1.544 10 0 ADAEHM NC(=O)/C=C/c1cc(Cl)ccc1[O-] 44258400 169145900 /nfs/dbraw/zinc/14/59/00/169145900.db2.gz OZCXTIRWDSEANW-DAFODLJHSA-N -1 3 197.621 1.544 10 0 ADAEHM NC(=O)/C=C\c1cccc(F)c1[O-] 44258357 169145961 /nfs/dbraw/zinc/14/59/61/169145961.db2.gz JCDGGUZZRLEHGT-PLNGDYQASA-N -1 3 181.166 1.030 10 0 ADAEHM NC(=O)/C=C/c1ccc([O-])cc1F 44262790 169146022 /nfs/dbraw/zinc/14/60/22/169146022.db2.gz XUDPSFWHAGKKFG-DUXPYHPUSA-N -1 3 181.166 1.030 10 0 ADAEHM NC(=O)/C=C/c1c([O-])ccc(F)c1F 44261612 169146363 /nfs/dbraw/zinc/14/63/63/169146363.db2.gz HEEGFCWEUNZOQB-DAFODLJHSA-N -1 3 199.156 1.169 10 0 ADAEHM NC(=O)/C=C/c1cc(F)ccc1[O-] 44260051 169146378 /nfs/dbraw/zinc/14/63/78/169146378.db2.gz USMDNUQRZXQLDU-DAFODLJHSA-N -1 3 181.166 1.030 10 0 ADAEHM NC(=O)/C=C\c1ccc([O-])cc1Cl 44261958 169146465 /nfs/dbraw/zinc/14/64/65/169146465.db2.gz HKRJMNLHJDJTNA-RQOWECAXSA-N -1 3 197.621 1.544 10 0 ADAEHM NC(=O)/C=C/c1c([O-])cccc1Cl 44263304 169146536 /nfs/dbraw/zinc/14/65/36/169146536.db2.gz KDBIDTAIULJDFP-SNAWJCMRSA-N -1 3 197.621 1.544 10 0 ADAEHM NC(=O)/C=C/c1c(F)ccc([O-])c1F 44261620 169146602 /nfs/dbraw/zinc/14/66/02/169146602.db2.gz KBRZGXANOSMPJS-DAFODLJHSA-N -1 3 199.156 1.169 10 0 ADAEHM NC(=O)/C=C/c1c([O-])cccc1F 44260047 169146712 /nfs/dbraw/zinc/14/67/12/169146712.db2.gz BZSYAVSSOUBEHQ-SNAWJCMRSA-N -1 3 181.166 1.030 10 0 ADAEHM NC(=O)/C=C\c1ccc([O-])c(F)c1 44258850 169146748 /nfs/dbraw/zinc/14/67/48/169146748.db2.gz MTUZQGCJLMUJSO-RQOWECAXSA-N -1 3 181.166 1.030 10 0 ADAEHM NC(=O)/C=C/c1ccc(F)cc1[O-] 44261057 169146766 /nfs/dbraw/zinc/14/67/66/169146766.db2.gz DXSWOTJXGRFDOT-DUXPYHPUSA-N -1 3 181.166 1.030 10 0 ADAEHM NC(=O)CCc1cc(Cl)ccc1[O-] 33432959 169148711 /nfs/dbraw/zinc/14/87/11/169148711.db2.gz NLCKDYALSOGWQP-UHFFFAOYSA-N -1 3 199.637 1.464 10 0 ADAEHM NC(=O)Nc1cc(Cl)ccc1[O-] 104391022 169159646 /nfs/dbraw/zinc/15/96/46/169159646.db2.gz XNYTZADDSVJMRC-UHFFFAOYSA-N -1 3 186.598 1.536 10 0 ADAEHM NC(=O)c1c([O-])ccc2ccccc12 34467449 169163936 /nfs/dbraw/zinc/16/39/36/169163936.db2.gz IBUXIVGXQSMJEO-UHFFFAOYSA-N -1 3 187.198 1.644 10 0 ADAEHM NC(=O)c1c([O-])ccc2ncccc12 39121361 169164215 /nfs/dbraw/zinc/16/42/15/169164215.db2.gz JXMHUCCIOCFOCH-UHFFFAOYSA-N -1 3 188.186 1.039 10 0 ADAEHM NC(=O)c1c([O-])ccc2c1CCCC2 45202053 169164536 /nfs/dbraw/zinc/16/45/36/169164536.db2.gz CLKCJUOLWQHDPC-UHFFFAOYSA-N -1 3 191.230 1.370 10 0 ADAEHM NC(=S)c1cccc(F)c1[O-] 83340054 169167614 /nfs/dbraw/zinc/16/76/14/169167614.db2.gz PCFREHPUVKMHEI-UHFFFAOYSA-N -1 3 171.196 1.166 10 0 ADAEHM NCC(=O)c1ccc2[nH]ccc2c1[O-] 82885995 169176494 /nfs/dbraw/zinc/17/64/94/169176494.db2.gz WWNIRZSNJGROMI-UHFFFAOYSA-N -1 3 190.202 1.015 10 0 ADAEHM NCC(=O)c1ccc([O-])c2[nH]ccc12 82390553 169176620 /nfs/dbraw/zinc/17/66/20/169176620.db2.gz ZSLMGTMHLCBXLT-UHFFFAOYSA-N -1 3 190.202 1.015 10 0 ADAEHM NC[C@@H](c1nc(=O)o[n-]1)C1CCCC1 38523755 169206894 /nfs/dbraw/zinc/20/68/94/169206894.db2.gz ZFOBPTRNWBBDAJ-SSDOTTSWSA-N -1 3 197.238 1.008 10 0 ADAEHM NC[C@H](c1nc(=O)o[n-]1)C1CCCC1 38523756 169214973 /nfs/dbraw/zinc/21/49/73/169214973.db2.gz ZFOBPTRNWBBDAJ-ZETCQYMHSA-N -1 3 197.238 1.008 10 0 ADAEHM NCc1cc(Cl)c([O-])cc1F 82868787 169218340 /nfs/dbraw/zinc/21/83/40/169218340.db2.gz JFAFIPOQTMZKCJ-UHFFFAOYSA-N -1 3 175.590 1.643 10 0 ADAEHM NCc1c(F)ccc([O-])c1F 75926749 169219514 /nfs/dbraw/zinc/21/95/14/169219514.db2.gz IWSYFKSZVWQIIT-UHFFFAOYSA-N -1 3 159.135 1.129 10 0 ADAEHM NCc1cc2cccc([O-])c2o1 82850631 169220127 /nfs/dbraw/zinc/22/01/27/169220127.db2.gz ANRVIMBRBWISFZ-UHFFFAOYSA-N -1 3 163.176 1.597 10 0 ADAEHM NCc1cc2c([O-])cc(F)cc2[nH]1 82872177 169220313 /nfs/dbraw/zinc/22/03/13/169220313.db2.gz LYQLLJAGZGSPMQ-UHFFFAOYSA-N -1 3 180.182 1.471 10 0 ADAEHM NCc1cc2c(C(=O)[O-])cccc2[nH]1 82888045 169220542 /nfs/dbraw/zinc/22/05/42/169220542.db2.gz NYDVRWJBOJRBHX-UHFFFAOYSA-N -1 3 190.202 1.325 10 0 ADAEHM NCc1cc([O-])c(F)cc1F 39088816 169221274 /nfs/dbraw/zinc/22/12/74/169221274.db2.gz UPYMEQBRNMCLGR-UHFFFAOYSA-N -1 3 159.135 1.129 10 0 ADAEHM NCc1cc2sc(C(=O)[O-])cc2[nH]1 82908911 169222192 /nfs/dbraw/zinc/22/21/92/169222192.db2.gz PBVYWRKKXMQMJF-UHFFFAOYSA-N -1 3 196.231 1.386 10 0 ADAEHM NCc1ccc(F)c([O-])c1F 13556339 169222239 /nfs/dbraw/zinc/22/22/39/169222239.db2.gz ARLSXSJLCYMMDM-UHFFFAOYSA-N -1 3 159.135 1.129 10 0 ADAEHM NCc1nc2c([O-])cccc2s1 75844856 169228245 /nfs/dbraw/zinc/22/82/45/169228245.db2.gz FOKFOJHAKZJQDF-UHFFFAOYSA-N -1 3 180.232 1.461 10 0 ADAEHM N[N-]C(=S)SCc1ccccn1 59447899 169236602 /nfs/dbraw/zinc/23/66/02/169236602.db2.gz ZLGLNHTUMUYTTC-UHFFFAOYSA-N -1 3 199.304 1.063 10 0 ADAEHM N[N-]C(=S)SCc1ccccc1 6575150 169237152 /nfs/dbraw/zinc/23/71/52/169237152.db2.gz XDAPOZNYUAPWCC-UHFFFAOYSA-N -1 3 198.316 1.668 10 0 in-vitro ADAEHM NN=c1[n-]c(-c2ccccc2)co1 39626185 169238996 /nfs/dbraw/zinc/23/89/96/169238996.db2.gz KMIYDIMMAZXFMI-UHFFFAOYSA-N -1 3 175.191 1.627 10 0 ADAEHM N[C@@H](C(=O)[O-])c1cccc2cc[nH]c12 82390579 169241373 /nfs/dbraw/zinc/24/13/73/169241373.db2.gz MNPCWMAXNFNSLE-MRVPVSSYSA-N -1 3 190.202 1.252 10 0 ADAEHM N[C@@H](/C=C\c1ccccc1)C(=O)[O-] 31519413 169241441 /nfs/dbraw/zinc/24/14/41/169241441.db2.gz JDMFMPYPEPMAGS-NMTCXDENSA-N -1 3 177.203 1.112 10 0 ADAEHM N[C@@H](C(=O)[O-])[C@@H](F)c1ccccc1 38605857 169241523 /nfs/dbraw/zinc/24/15/23/169241523.db2.gz HECUEIAXNNOLLY-JGVFFNPUSA-N -1 3 183.182 1.109 10 0 ADAEHM N[C@@H](C(=O)[O-])c1cc2ccccc2[nH]1 82882516 169241839 /nfs/dbraw/zinc/24/18/39/169241839.db2.gz IQTCOFUVYYKLIP-SECBINFHSA-N -1 3 190.202 1.252 10 0 ADAEHM N[C@@H](C(=O)[O-])c1cccc2ccoc12 82888961 169241863 /nfs/dbraw/zinc/24/18/63/169241863.db2.gz QTSKNZVXVHFQFL-MRVPVSSYSA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccc2cc[nH]c2c1 82390578 169242083 /nfs/dbraw/zinc/24/20/83/169242083.db2.gz KMVFUFSWTGGBLA-SECBINFHSA-N -1 3 190.202 1.252 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccc2ccoc2c1 82389808 169242146 /nfs/dbraw/zinc/24/21/46/169242146.db2.gz GILYZCCEWSWAKM-SECBINFHSA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccc(N=O)cc1 4088495 169242165 /nfs/dbraw/zinc/24/21/65/169242165.db2.gz YYCNTMPHDDBZJR-SSDOTTSWSA-N -1 3 180.163 1.169 10 0 ADAEHM N[C@@H](C(=O)[O-])c1cccc2occc12 82389810 169242435 /nfs/dbraw/zinc/24/24/35/169242435.db2.gz TWTCWMQVQWRNOA-SECBINFHSA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@@H](C(=O)[O-])C1=CCCCCCC1 5464010 169242522 /nfs/dbraw/zinc/24/25/22/169242522.db2.gz LRXGLWRNFLTEBN-SECBINFHSA-N -1 3 183.251 1.679 10 0 ADAEHM N[C@@H](C(=O)[O-])c1ccc2occc2c1 59190435 169242562 /nfs/dbraw/zinc/24/25/62/169242562.db2.gz DHVSDUWDPIWPOP-SECBINFHSA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@@H](C(=O)[O-])[C@H](F)c1ccccc1 34596778 169242604 /nfs/dbraw/zinc/24/26/04/169242604.db2.gz HECUEIAXNNOLLY-HTQZYQBOSA-N -1 3 183.182 1.109 10 0 ADAEHM N[C@@H](CC(=O)[O-])c1ccoc1Cl 83277393 169242871 /nfs/dbraw/zinc/24/28/71/169242871.db2.gz MKAPZDHVPFOENQ-YFKPBYRVSA-N -1 3 189.598 1.408 10 0 ADAEHM [NH3+][C@@H](CC(=O)[O-])c1ccc([O-])cc1F 82911693 169242882 /nfs/dbraw/zinc/24/28/82/169242882.db2.gz LNNUJLPVAQAXLA-QMMMGPOBSA-N -1 3 199.181 1.006 10 0 ADAEHM N[C@@H](CC(=O)[O-])c1ccc(Cl)o1 44216995 169243301 /nfs/dbraw/zinc/24/33/01/169243301.db2.gz ZMCNXMAQNHUVCI-BYPYZUCNSA-N -1 3 189.598 1.408 10 0 ADAEHM N[C@@H](C(=O)[O-])c1coc2ccccc12 82888956 169243547 /nfs/dbraw/zinc/24/35/47/169243547.db2.gz OYIDOLGSIGTJIL-SECBINFHSA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@@H](CO)c1cccc([O-])c1Cl 72197611 169245910 /nfs/dbraw/zinc/24/59/10/169245910.db2.gz JNFVGSCVHNRIAJ-LURJTMIESA-N -1 3 187.626 1.038 10 0 ADAEHM N[C@@H](c1ccccc1)[P@@H](=O)[O-] 29326774 169249111 /nfs/dbraw/zinc/24/91/11/169249111.db2.gz JLTNHFQJNQZJTC-SSDOTTSWSA-N -1 3 171.136 1.111 10 0 ADAEHM N[C@@H](c1ccccc1)[P@H](=O)[O-] 29326774 169249112 /nfs/dbraw/zinc/24/91/12/169249112.db2.gz JLTNHFQJNQZJTC-SSDOTTSWSA-N -1 3 171.136 1.111 10 0 ADAEHM N[C@@H](c1ccccc1)C1N=CC([O-])=N1 105866470 169249827 /nfs/dbraw/zinc/24/98/27/169249827.db2.gz AVMZCIHPSWPREM-VIFPVBQESA-N -1 3 189.218 1.163 10 0 ADAEHM N[C@@H]1CCCCc2onc(C(=O)[O-])c21 82389936 169252587 /nfs/dbraw/zinc/25/25/87/169252587.db2.gz SFNGHMBMLGWMIX-RXMQYKEDSA-N -1 3 196.206 1.099 10 0 ADAEHM N[C@@H]1CCCc2occ(C(=O)[O-])c21 82396110 169253235 /nfs/dbraw/zinc/25/32/35/169253235.db2.gz SFQHDXLUFRPYEN-ZCFIWIBFSA-N -1 3 181.191 1.314 10 0 ADAEHM N[C@@H]1CCOc2c(C(=O)[O-])cccc21 104530366 169254275 /nfs/dbraw/zinc/25/42/75/169254275.db2.gz QRJZDAQMJZIVIE-MRVPVSSYSA-N -1 3 193.202 1.167 10 0 ADAEHM N[C@H](/C=C\c1ccccc1)C(=O)[O-] 31519417 169261938 /nfs/dbraw/zinc/26/19/38/169261938.db2.gz JDMFMPYPEPMAGS-ATJFRQLMSA-N -1 3 177.203 1.112 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccc(N=O)cc1 4088494 169261958 /nfs/dbraw/zinc/26/19/58/169261958.db2.gz YYCNTMPHDDBZJR-ZETCQYMHSA-N -1 3 180.163 1.169 10 0 ADAEHM N[C@H](C(=O)[O-])C1=CCCCCCC1 5464009 169262256 /nfs/dbraw/zinc/26/22/56/169262256.db2.gz LRXGLWRNFLTEBN-VIFPVBQESA-N -1 3 183.251 1.679 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccc2occc2c1 59190434 169262271 /nfs/dbraw/zinc/26/22/71/169262271.db2.gz DHVSDUWDPIWPOP-VIFPVBQESA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@H](C(=O)[O-])[C@H](F)c1ccccc1 38605855 169262306 /nfs/dbraw/zinc/26/23/06/169262306.db2.gz HECUEIAXNNOLLY-SFYZADRCSA-N -1 3 183.182 1.109 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccc2ccoc2c1 82389807 169262480 /nfs/dbraw/zinc/26/24/80/169262480.db2.gz GILYZCCEWSWAKM-VIFPVBQESA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@H](/C=C/c1ccccc1)C(=O)[O-] 3652308 169262706 /nfs/dbraw/zinc/26/27/06/169262706.db2.gz JDMFMPYPEPMAGS-XCODYQFDSA-N -1 3 177.203 1.112 10 0 ADAEHM N[C@H](C(=O)[O-])[C@@H](F)c1ccccc1 34622185 169262796 /nfs/dbraw/zinc/26/27/96/169262796.db2.gz HECUEIAXNNOLLY-YUMQZZPRSA-N -1 3 183.182 1.109 10 0 ADAEHM N[C@H](C(=O)[O-])c1cc2ccccc2[nH]1 82882515 169262852 /nfs/dbraw/zinc/26/28/52/169262852.db2.gz IQTCOFUVYYKLIP-VIFPVBQESA-N -1 3 190.202 1.252 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccc2cc[nH]c2c1 72191077 169262884 /nfs/dbraw/zinc/26/28/84/169262884.db2.gz KMVFUFSWTGGBLA-VIFPVBQESA-N -1 3 190.202 1.252 10 0 ADAEHM N[C@H](C(=O)[O-])c1cccc2cc[nH]c12 72191074 169263191 /nfs/dbraw/zinc/26/31/91/169263191.db2.gz MNPCWMAXNFNSLE-QMMMGPOBSA-N -1 3 190.202 1.252 10 0 ADAEHM N[C@H](C(=O)[O-])c1cccc2occc12 82389809 169263407 /nfs/dbraw/zinc/26/34/07/169263407.db2.gz TWTCWMQVQWRNOA-VIFPVBQESA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@H](CC(=O)[O-])c1ccc(Cl)o1 44216992 169263800 /nfs/dbraw/zinc/26/38/00/169263800.db2.gz ZMCNXMAQNHUVCI-SCSAIBSYSA-N -1 3 189.598 1.408 10 0 ADAEHM N[C@H](C(=O)[O-])c1coc2ccccc12 82888955 169264005 /nfs/dbraw/zinc/26/40/05/169264005.db2.gz OYIDOLGSIGTJIL-VIFPVBQESA-N -1 3 191.186 1.517 10 0 ADAEHM N[C@H](CC(=O)[O-])c1ccoc1Cl 83277392 169264208 /nfs/dbraw/zinc/26/42/08/169264208.db2.gz MKAPZDHVPFOENQ-RXMQYKEDSA-N -1 3 189.598 1.408 10 0 ADAEHM N[C@H](C(=O)[O-])c1cccc2ccoc12 82888960 169264270 /nfs/dbraw/zinc/26/42/70/169264270.db2.gz QTSKNZVXVHFQFL-QMMMGPOBSA-N -1 3 191.186 1.517 10 0 ADAEHM [NH3+][C@H](CC(=O)[O-])c1ccc([O-])cc1F 82911692 169264329 /nfs/dbraw/zinc/26/43/29/169264329.db2.gz LNNUJLPVAQAXLA-MRVPVSSYSA-N -1 3 199.181 1.006 10 0 ADAEHM N[C@H](CCC(=O)[O-])C(F)=C(F)F 26646256 169265496 /nfs/dbraw/zinc/26/54/96/169265496.db2.gz GTQBDPMDXNFOPX-GSVOUGTGSA-N -1 3 183.129 1.256 10 0 ADAEHM N[C@H](CO)c1cccc([O-])c1Cl 72197610 169266222 /nfs/dbraw/zinc/26/62/22/169266222.db2.gz JNFVGSCVHNRIAJ-ZCFIWIBFSA-N -1 3 187.626 1.038 10 0 ADAEHM N[C@H](c1ccccc1)[P@@H](=O)[O-] 29326769 169269017 /nfs/dbraw/zinc/26/90/17/169269017.db2.gz JLTNHFQJNQZJTC-ZETCQYMHSA-N -1 3 171.136 1.111 10 0 ADAEHM N[C@H](c1ccccc1)[P@H](=O)[O-] 29326769 169269018 /nfs/dbraw/zinc/26/90/18/169269018.db2.gz JLTNHFQJNQZJTC-ZETCQYMHSA-N -1 3 171.136 1.111 10 0 ADAEHM N[C@H](c1ccccc1)C1N=CC([O-])=N1 105866471 169269047 /nfs/dbraw/zinc/26/90/47/169269047.db2.gz AVMZCIHPSWPREM-SECBINFHSA-N -1 3 189.218 1.163 10 0 ADAEHM N[C@H]1CCCCc2onc(C(=O)[O-])c21 82389935 169272046 /nfs/dbraw/zinc/27/20/46/169272046.db2.gz SFNGHMBMLGWMIX-YFKPBYRVSA-N -1 3 196.206 1.099 10 0 ADAEHM N[C@H]1CCOc2c(C(=O)[O-])cccc21 104677305 169274342 /nfs/dbraw/zinc/27/43/42/169274342.db2.gz QRJZDAQMJZIVIE-QMMMGPOBSA-N -1 3 193.202 1.167 10 0 ADAEHM N[C@H]1CCCc2occ(C(=O)[O-])c21 82396109 169274366 /nfs/dbraw/zinc/27/43/66/169274366.db2.gz SFQHDXLUFRPYEN-LURJTMIESA-N -1 3 181.191 1.314 10 0 ADAEHM Nc1c([O-])cncc1Cl 95773549 169282398 /nfs/dbraw/zinc/28/23/98/169282398.db2.gz XPGFZVAEYPVYAC-UHFFFAOYSA-N -1 3 144.561 1.023 10 0 ADAEHM Nc1c([O-])ccc2scnc12 35344977 169282535 /nfs/dbraw/zinc/28/25/35/169282535.db2.gz JCXXHEPWNFGEAV-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM Nc1c([O-])c(F)cc(F)c1F 39089027 169282542 /nfs/dbraw/zinc/28/25/42/169282542.db2.gz NNJHZWICFMKUOE-UHFFFAOYSA-N -1 3 163.098 1.392 10 0 ADAEHM Nc1c(Cl)c[n-]c(=O)c1Cl 39435634 169282671 /nfs/dbraw/zinc/28/26/71/169282671.db2.gz BDUMSBSZPZADLU-UHFFFAOYSA-N -1 3 179.006 1.264 10 0 ADAEHM Nc1cc(-c2ccc([O-])cc2F)[nH]n1 75879933 169283734 /nfs/dbraw/zinc/28/37/34/169283734.db2.gz HKWGBYXLTXAGJH-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM Nc1cc(-c2ccccc2[O-])on1 75566080 169283944 /nfs/dbraw/zinc/28/39/44/169283944.db2.gz CJAGUVMXORARSG-UHFFFAOYSA-N -1 3 176.175 1.629 10 0 ADAEHM Nc1cc(=O)[n-]c(C2CCCC2)n1 37996354 169284070 /nfs/dbraw/zinc/28/40/70/169284070.db2.gz NMEAZHHQTGKPNJ-UHFFFAOYSA-N -1 3 179.223 1.010 10 0 ADAEHM Nc1c2sscc-2[n-]c1=O 13351803 169284205 /nfs/dbraw/zinc/28/42/05/169284205.db2.gz JSZVYHFPIFBAHE-UHFFFAOYSA-N -1 3 172.234 1.185 10 0 ADAEHM Nc1cc(-c2ccc([O-])c(F)c2)[nH]n1 75880260 169284375 /nfs/dbraw/zinc/28/43/75/169284375.db2.gz XSXLTMLMJWBPOW-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM Nc1cc(=O)[n-]c(C2CCCCC2)n1 20594177 169284393 /nfs/dbraw/zinc/28/43/93/169284393.db2.gz UMEFTLSSOKWOPX-UHFFFAOYSA-N -1 3 193.250 1.400 10 0 ADAEHM Nc1cc(C(F)(F)F)[n-]c(=S)n1 8764205 169284671 /nfs/dbraw/zinc/28/46/71/169284671.db2.gz QFJODJRRUFIQDU-UHFFFAOYSA-N -1 3 195.169 1.366 10 0 ADAEHM Nc1cc(Cl)c([O-])cn1 95773634 169285239 /nfs/dbraw/zinc/28/52/39/169285239.db2.gz KHDGLLSQHNZJOD-UHFFFAOYSA-N -1 3 144.561 1.023 10 0 ADAEHM Nc1cc(Cl)c([O-])cc1O 21303657 169285568 /nfs/dbraw/zinc/28/55/68/169285568.db2.gz JPPGGOHDJOHSAG-UHFFFAOYSA-N -1 3 159.572 1.333 10 0 ADAEHM Nc1cc(Cl)cc2[nH][n-]c(=O)c12 14983715 169285790 /nfs/dbraw/zinc/28/57/90/169285790.db2.gz IZUSNJDOSIPMLP-UHFFFAOYSA-N -1 3 183.598 1.504 10 0 ADAEHM Nc1cc(F)c(F)c(F)c1[O-] 39089033 169286339 /nfs/dbraw/zinc/28/63/39/169286339.db2.gz VEPKZQHPDWUTBU-UHFFFAOYSA-N -1 3 163.098 1.392 10 0 ADAEHM Nc1cc(Cl)[n-]c(=S)n1 38978289 169286535 /nfs/dbraw/zinc/28/65/35/169286535.db2.gz FXUDMQXADIQKFJ-UHFFFAOYSA-N -1 3 161.617 1.375 10 0 ADAEHM Nc1cc([O-])c2cc[nH]c2c1 14983283 169287749 /nfs/dbraw/zinc/28/77/49/169287749.db2.gz QCQWXAVDEPECFJ-UHFFFAOYSA-N -1 3 148.165 1.456 10 0 ADAEHM Nc1cc([O-])c2c(c1)C(=O)CCS2 82386522 169287845 /nfs/dbraw/zinc/28/78/45/169287845.db2.gz SMNAVTFFNKAKJX-UHFFFAOYSA-N -1 3 195.243 1.653 10 0 ADAEHM Nc1cc2nc[n-]c(=S)c2cn1 38810359 169288512 /nfs/dbraw/zinc/28/85/12/169288512.db2.gz GONXOHGJCGWBFX-UHFFFAOYSA-N -1 3 178.220 1.270 10 0 ADAEHM Nc1cc2nc[nH]c2cc1[S-] 82728853 169288743 /nfs/dbraw/zinc/28/87/43/169288743.db2.gz KOYAPNCKFMLXFU-UHFFFAOYSA-N -1 3 165.221 1.434 10 0 ADAEHM Nc1cc2[nH]cnc2cc1[S-] 82728853 169288745 /nfs/dbraw/zinc/28/87/45/169288745.db2.gz KOYAPNCKFMLXFU-UHFFFAOYSA-N -1 3 165.221 1.434 10 0 ADAEHM Nc1cc2ccc(=O)oc2cc1[O-] 196347658 169288878 /nfs/dbraw/zinc/28/88/78/169288878.db2.gz KVQWAVVIEKJSLV-UHFFFAOYSA-N -1 3 177.159 1.081 10 0 ADAEHM Nc1cc2c(cc1[O-])CCC2=O 39136105 169289075 /nfs/dbraw/zinc/28/90/75/169289075.db2.gz PGJGBRALHXNLDF-UHFFFAOYSA-N -1 3 163.176 1.103 10 0 ADAEHM Nc1ccc(-c2cc(=O)[n-]cn2)cc1 82529989 169289587 /nfs/dbraw/zinc/28/95/87/169289587.db2.gz YMQIZXGQNGKIKT-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM Nc1cc2ocnc2cc1[O-] 39059152 169290356 /nfs/dbraw/zinc/29/03/56/169290356.db2.gz UFOLCEDMDHPYKE-UHFFFAOYSA-N -1 3 150.137 1.116 10 0 ADAEHM Nc1ccc(-c2nccc(=O)[n-]2)cc1 71024845 169290484 /nfs/dbraw/zinc/29/04/84/169290484.db2.gz HFBDHLACCWCWEH-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM Nc1ccc(-c2c[n-][nH]c2=O)cc1 82399115 169290567 /nfs/dbraw/zinc/29/05/67/169290567.db2.gz UEKOGMUTWIUBOI-UHFFFAOYSA-N -1 3 175.191 1.365 10 0 ADAEHM Nc1ccc(-c2ccccc2[O-])nn1 54930994 169290696 /nfs/dbraw/zinc/29/06/96/169290696.db2.gz AHRNDHTYSONZPP-UHFFFAOYSA-N -1 3 187.202 1.431 10 0 ADAEHM Nc1ccc([O-])c(Cl)n1 95773694 169293249 /nfs/dbraw/zinc/29/32/49/169293249.db2.gz BDKNFLHXTOVGPU-UHFFFAOYSA-N -1 3 144.561 1.023 10 0 ADAEHM Nc1cccc(-c2nccc(=O)[n-]2)c1 71024843 169295329 /nfs/dbraw/zinc/29/53/29/169295329.db2.gz NBPQXUWXKFREPC-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM Nc1cccc(-c2cc(=O)[n-]cn2)c1 82529988 169295485 /nfs/dbraw/zinc/29/54/85/169295485.db2.gz DHLMCCDHMMPQDK-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM Nc1ccc2scnc2c1[O-] 85436286 169296161 /nfs/dbraw/zinc/29/61/61/169296161.db2.gz HVPOUBWYFMTOHE-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM Nc1cccc([O-])c1C(F)(F)F 34768521 169297256 /nfs/dbraw/zinc/29/72/56/169297256.db2.gz RUNYOYJSBYNOMZ-UHFFFAOYSA-N -1 3 177.125 1.993 10 0 ADAEHM Nc1ccccc1-c1cc(=O)[n-]cn1 82529987 169297661 /nfs/dbraw/zinc/29/76/61/169297661.db2.gz XXNTYNGLWGYVIM-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM Nc1cccc2c([O-])csc12 82403436 169298107 /nfs/dbraw/zinc/29/81/07/169298107.db2.gz PPYIURMIHRHLSN-UHFFFAOYSA-N -1 3 165.217 1.557 10 0 ADAEHM Nc1ccccc1-c1nccc(=O)[n-]1 82529986 169298224 /nfs/dbraw/zinc/29/82/24/169298224.db2.gz QZMYSXPRSRVHBT-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM Nc1ccccc1Cc1cc(=O)[nH][n-]1 34288342 169298537 /nfs/dbraw/zinc/29/85/37/169298537.db2.gz PJAPXLXIEDUVSR-UHFFFAOYSA-N -1 3 189.218 1.288 10 0 ADAEHM Nc1ccnc2cc(C(=O)[O-])ccc12 47912997 169300853 /nfs/dbraw/zinc/30/08/53/169300853.db2.gz UNCXCLCEVZPSAB-UHFFFAOYSA-N -1 3 188.186 1.515 10 0 ADAEHM Nc1n[nH]c2ccc(=S)[n-]c12 89219762 169304076 /nfs/dbraw/zinc/30/40/76/169304076.db2.gz WUMYXXFRFISKJP-UHFFFAOYSA-N -1 3 166.209 1.203 10 0 ADAEHM Nc1nc(-c2ccccc2[O-])co1 75566093 169304688 /nfs/dbraw/zinc/30/46/88/169304688.db2.gz DEXDOCMWYVVRLJ-UHFFFAOYSA-N -1 3 176.175 1.629 10 0 ADAEHM Nc1nc(-c2ccsc2)cc(=O)[n-]1 72417271 169304806 /nfs/dbraw/zinc/30/48/06/169304806.db2.gz XIGSQRGFADIRJU-UHFFFAOYSA-N -1 3 193.231 1.081 10 0 ADAEHM Nc1nc2ccccc2c(=S)[n-]1 25970178 169305012 /nfs/dbraw/zinc/30/50/12/169305012.db2.gz ZJAKAAVAZAYRLO-UHFFFAOYSA-N -1 3 177.232 1.875 10 0 ADAEHM Nc1nc([N-]c2cccc(O)c2)no1 75580515 169305372 /nfs/dbraw/zinc/30/53/72/169305372.db2.gz NUQKTLMQRWEGGV-UHFFFAOYSA-N -1 3 192.178 1.101 10 0 ADAEHM Nc1nc2[nH]ccc2c(=S)[n-]1 45253075 169307344 /nfs/dbraw/zinc/30/73/44/169307344.db2.gz JOGOXDMLVHWTMG-UHFFFAOYSA-N -1 3 166.209 1.203 10 0 ADAEHM Nc1nc[n-]c(=O)c1-c1ccccc1 19877766 169307628 /nfs/dbraw/zinc/30/76/28/169307628.db2.gz IQZHOLZVCUGIKO-UHFFFAOYSA-N -1 3 187.202 1.019 10 0 ADAEHM O=C(NC1CC1)c1cc([O-])ccc1F 335471641 169325805 /nfs/dbraw/zinc/32/58/05/169325805.db2.gz WMGTYAKSABGYJW-UHFFFAOYSA-N -1 3 195.193 1.424 10 0 ADAEHM O=C([N-]C(=O)C1CC1)c1ccccc1 39126100 169326462 /nfs/dbraw/zinc/32/64/62/169326462.db2.gz KJIWWFBAXBQCRH-UHFFFAOYSA-N -1 3 189.214 1.353 10 0 ADAEHM O=C(NC1CCC1)c1cccc([O-])c1 52211992 169326615 /nfs/dbraw/zinc/32/66/15/169326615.db2.gz MJMLWCNLCHVPJJ-UHFFFAOYSA-N -1 3 191.230 1.675 10 0 ADAEHM O=C(NC1CCC1)c1ccc([O-])cc1 52212044 169327183 /nfs/dbraw/zinc/32/71/83/169327183.db2.gz NJBDAMUZHLBHAN-UHFFFAOYSA-N -1 3 191.230 1.675 10 0 ADAEHM O=C(NCC1CC1)c1ccc([O-])cc1 19837627 169328369 /nfs/dbraw/zinc/32/83/69/169328369.db2.gz IYHUOYXBDLYYQR-UHFFFAOYSA-N -1 3 191.230 1.532 10 0 ADAEHM O=C(NCC1CC1)c1cccc([O-])c1 19837606 169328526 /nfs/dbraw/zinc/32/85/26/169328526.db2.gz GPQLZEGXPPVWDS-UHFFFAOYSA-N -1 3 191.230 1.532 10 0 ADAEHM O=C(NCCF)c1cccc([O-])c1 306411863 169328779 /nfs/dbraw/zinc/32/87/79/169328779.db2.gz XVXRIVGPYSKFRM-UHFFFAOYSA-N -1 3 183.182 1.092 10 0 ADAEHM O=C([N-]c1nccs1)c1ccno1 9625327 169333560 /nfs/dbraw/zinc/33/35/60/169333560.db2.gz OUCJFQDGQHZJNE-UHFFFAOYSA-N -1 3 195.203 1.383 10 0 ADAEHM O=C([O-])C1=CC[C@H](c2ccco2)NC1 82388447 169335477 /nfs/dbraw/zinc/33/54/77/169335477.db2.gz YUMSYDRDUFKRNY-MRVPVSSYSA-N -1 3 193.202 1.325 10 0 ADAEHM O=C([O-])C1=CC[C@@H](c2ccco2)NC1 82388446 169335658 /nfs/dbraw/zinc/33/56/58/169335658.db2.gz YUMSYDRDUFKRNY-QMMMGPOBSA-N -1 3 193.202 1.325 10 0 ADAEHM O=C([O-])CC[C@@H]1NCCc2occc21 82386771 169338993 /nfs/dbraw/zinc/33/89/93/169338993.db2.gz RFRINUPZZFYEQU-QMMMGPOBSA-N -1 3 195.218 1.331 10 0 ADAEHM O=C([O-])CC[C@H]1NCCc2occc21 82386772 169339544 /nfs/dbraw/zinc/33/95/44/169339544.db2.gz RFRINUPZZFYEQU-MRVPVSSYSA-N -1 3 195.218 1.331 10 0 ADAEHM O=C([O-])CN1C=Cc2ccccc2C1 38854872 169339972 /nfs/dbraw/zinc/33/99/72/169339972.db2.gz QSVFKQWHSRNKNM-UHFFFAOYSA-N -1 3 189.214 1.558 10 0 ADAEHM O=C([O-])CNCc1ccc(Cl)o1 37503936 169341533 /nfs/dbraw/zinc/34/15/33/169341533.db2.gz GTMJCDFBRWLEHZ-UHFFFAOYSA-N -1 3 189.598 1.107 10 0 ADAEHM O=C([O-])C[C@H]1NCc2ccccc21 82398398 169343497 /nfs/dbraw/zinc/34/34/97/169343497.db2.gz XITJWUMAALXOKV-SECBINFHSA-N -1 3 177.203 1.306 10 0 ADAEHM O=C([O-])[C@@H](Nc1ccncc1)C1CC1 54522024 169346177 /nfs/dbraw/zinc/34/61/77/169346177.db2.gz QHSBIHXLMCTFMS-VIFPVBQESA-N -1 3 192.218 1.357 10 0 ADAEHM O=C([O-])[C@@H](NC1CC1)c1ccsc1 37183596 169346216 /nfs/dbraw/zinc/34/62/16/169346216.db2.gz NWIUKDNHYDUTSD-QMMMGPOBSA-N -1 3 197.259 1.626 10 0 ADAEHM O=C([O-])[C@@H]1CCCN1c1ccncc1 19423654 169346838 /nfs/dbraw/zinc/34/68/38/169346838.db2.gz PIMPNQHPGDHYFL-VIFPVBQESA-N -1 3 192.218 1.135 10 0 ADAEHM O=C([O-])[C@@H]1CCN[C@@H](c2ccoc2)C1 82386732 169347599 /nfs/dbraw/zinc/34/75/99/169347599.db2.gz XFNWVOJOJPNNGZ-VXNVDRBHSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@@H]1CC[C@@H](c2ccco2)N1 82873273 169347797 /nfs/dbraw/zinc/34/77/97/169347797.db2.gz COUODMKASLDGHX-BQBZGAKWSA-N -1 3 181.191 1.157 10 0 ADAEHM O=C([O-])[C@@H]1CCN[C@H](c2ccoc2)C1 82386731 169347872 /nfs/dbraw/zinc/34/78/72/169347872.db2.gz XFNWVOJOJPNNGZ-APPZFPTMSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@@H]1CCN[C@@H](c2ccco2)C1 82386693 169347879 /nfs/dbraw/zinc/34/78/79/169347879.db2.gz CZSMUXIKOLRGFD-HTQZYQBOSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@@H]1CC[C@H](c2ccco2)N1 82873274 169348038 /nfs/dbraw/zinc/34/80/38/169348038.db2.gz COUODMKASLDGHX-RQJHMYQMSA-N -1 3 181.191 1.157 10 0 ADAEHM O=C([O-])[C@@H]1CCN[C@H](c2ccco2)C1 82386692 169348259 /nfs/dbraw/zinc/34/82/59/169348259.db2.gz CZSMUXIKOLRGFD-SFYZADRCSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@@H]1CNCc2sccc21 76607869 169349118 /nfs/dbraw/zinc/34/91/18/169349118.db2.gz JBLTUYKBBXNRGH-ZCFIWIBFSA-N -1 3 183.232 1.020 10 0 ADAEHM O=C([O-])[C@@H]1NCCc2c(F)cccc21 82386841 169349821 /nfs/dbraw/zinc/34/98/21/169349821.db2.gz RDUTYMKOWZCBJI-SECBINFHSA-N -1 3 195.193 1.097 10 0 ADAEHM O=C([O-])[C@H](NC1CC1)c1ccsc1 37183597 169350651 /nfs/dbraw/zinc/35/06/51/169350651.db2.gz NWIUKDNHYDUTSD-MRVPVSSYSA-N -1 3 197.259 1.626 10 0 ADAEHM O=C([O-])[C@H](Nc1ccncc1)C1CC1 54522025 169350674 /nfs/dbraw/zinc/35/06/74/169350674.db2.gz QHSBIHXLMCTFMS-SECBINFHSA-N -1 3 192.218 1.357 10 0 ADAEHM O=C([O-])[C@H]1CCCN1c1ccncc1 19423656 169351677 /nfs/dbraw/zinc/35/16/77/169351677.db2.gz PIMPNQHPGDHYFL-SECBINFHSA-N -1 3 192.218 1.135 10 0 ADAEHM O=C([O-])[C@H]1CCCN[C@@H]1c1ccco1 82386729 169351792 /nfs/dbraw/zinc/35/17/92/169351792.db2.gz CPZQWCIDMPBSNB-CBAPKCEASA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@H]1CCN[C@H](c2ccoc2)C1 82386733 169352574 /nfs/dbraw/zinc/35/25/74/169352574.db2.gz XFNWVOJOJPNNGZ-CBAPKCEASA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@H]1CC[C@H](c2ccco2)N1 82873272 169352697 /nfs/dbraw/zinc/35/26/97/169352697.db2.gz COUODMKASLDGHX-RNFRBKRXSA-N -1 3 181.191 1.157 10 0 ADAEHM O=C([O-])[C@H]1CC[C@@H](c2ccco2)N1 82873271 169352758 /nfs/dbraw/zinc/35/27/58/169352758.db2.gz COUODMKASLDGHX-NKWVEPMBSA-N -1 3 181.191 1.157 10 0 ADAEHM O=C([O-])[C@H]1CCN[C@@H](c2ccoc2)C1 82386734 169352975 /nfs/dbraw/zinc/35/29/75/169352975.db2.gz XFNWVOJOJPNNGZ-IONNQARKSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@H]1CCN[C@@H](c2ccco2)C1 82386695 169352986 /nfs/dbraw/zinc/35/29/86/169352986.db2.gz CZSMUXIKOLRGFD-JGVFFNPUSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@H]1CCN[C@H](c2ccco2)C1 82386694 169353166 /nfs/dbraw/zinc/35/31/66/169353166.db2.gz CZSMUXIKOLRGFD-YUMQZZPRSA-N -1 3 195.218 1.405 10 0 ADAEHM O=C([O-])[C@H]1CNCc2sccc21 76607871 169353673 /nfs/dbraw/zinc/35/36/73/169353673.db2.gz JBLTUYKBBXNRGH-LURJTMIESA-N -1 3 183.232 1.020 10 0 ADAEHM O=C([O-])[C@H]1NCCc2c(F)cccc21 82386840 169354485 /nfs/dbraw/zinc/35/44/85/169354485.db2.gz RDUTYMKOWZCBJI-VIFPVBQESA-N -1 3 195.193 1.097 10 0 ADAEHM O=C([O-])c1c(C2CC2)[nH]c2c1CNC2 82388870 169355972 /nfs/dbraw/zinc/35/59/72/169355972.db2.gz GVXWJYQAHBGVRK-UHFFFAOYSA-N -1 3 192.218 1.194 10 0 ADAEHM O=C([O-])c1cc2c(s1)CNC2 22201722 169356445 /nfs/dbraw/zinc/35/64/45/169356445.db2.gz LGDPBUOYRIUSJT-UHFFFAOYSA-N -1 3 169.205 1.050 10 0 ADAEHM O=C([O-])c1ccc(CNC2CC2)o1 41626036 169357791 /nfs/dbraw/zinc/35/77/91/169357791.db2.gz ZUKQYFDBQUBWJR-UHFFFAOYSA-N -1 3 181.191 1.230 10 0 ADAEHM O=C([O-])c1cnccc1-n1cccc1 26438399 169360645 /nfs/dbraw/zinc/36/06/45/169360645.db2.gz RKPPKRRWLAJMFK-UHFFFAOYSA-N -1 3 188.186 1.571 10 0 ADAEHM O=C(c1cccc([O-])c1)N1CC(F)C1 335816608 169362949 /nfs/dbraw/zinc/36/29/49/169362949.db2.gz HAJJAECRDGRNMD-UHFFFAOYSA-N -1 3 195.193 1.186 10 0 ADAEHM O=C(c1c(O)cc([O-])cc1O)C1CC1 71452066 169363180 /nfs/dbraw/zinc/36/31/80/169363180.db2.gz ZDYAMTRDSWTTMI-UHFFFAOYSA-N -1 3 194.186 1.396 10 0 ADAEHM O=C(c1ccccc1)c1cnn[n-]1 39241540 169364177 /nfs/dbraw/zinc/36/41/77/169364177.db2.gz SANQECZWBCESOD-UHFFFAOYSA-N -1 3 173.175 1.036 10 0 ADAEHM O=C(c1ccccc1)c1c[n-]nn1 39241540 169364179 /nfs/dbraw/zinc/36/41/79/169364179.db2.gz SANQECZWBCESOD-UHFFFAOYSA-N -1 3 173.175 1.036 10 0 ADAEHM O=C(c1ccccc1)c1cn[n-]n1 39241540 169364180 /nfs/dbraw/zinc/36/41/80/169364180.db2.gz SANQECZWBCESOD-UHFFFAOYSA-N -1 3 173.175 1.036 10 0 ADAEHM O=C1CCC([O-])=C1c1ccccc1 21995539 169369324 /nfs/dbraw/zinc/36/93/24/169369324.db2.gz YCKUXQDJVCXZBM-UHFFFAOYSA-N -1 3 174.199 1.702 10 0 ADAEHM O=C1CCNc2cccc([O-])c21 75545645 169374909 /nfs/dbraw/zinc/37/49/09/169374909.db2.gz WRGUHFAFUSTLHX-UHFFFAOYSA-N -1 3 163.176 1.391 10 0 ADAEHM O=C1CCNc2cc([O-])cc(O)c21 39335275 169375159 /nfs/dbraw/zinc/37/51/59/169375159.db2.gz NHWIQGVRRDRSPD-UHFFFAOYSA-N -1 3 179.175 1.096 10 0 ADAEHM O=C1CCc2c([O-])ccc(Cl)c2N1 39333869 169376133 /nfs/dbraw/zinc/37/61/33/169376133.db2.gz JBLUTMBJJMMYRZ-UHFFFAOYSA-N -1 3 197.621 1.930 10 0 ADAEHM O=C1CCc2nc3cccc([O-])c3n21 49072323 169377118 /nfs/dbraw/zinc/37/71/18/169377118.db2.gz JBEAHOTTXSAGKM-UHFFFAOYSA-N -1 3 188.186 1.328 10 0 ADAEHM O=C1CCc2cc([O-])cc(Cl)c2N1 75600187 169377580 /nfs/dbraw/zinc/37/75/80/169377580.db2.gz PHJNAGMRWBNGIW-UHFFFAOYSA-N -1 3 197.621 1.930 10 0 ADAEHM [O-]c1csc(Nc2ccccn2)n1 5814196 169379079 /nfs/dbraw/zinc/37/90/79/169379079.db2.gz VRPYWZHOBAUXLD-UHFFFAOYSA-N -1 3 193.231 1.123 10 0 ADAEHM [O-]c1csc(N2CCCCCC2)n1 15016500 169379792 /nfs/dbraw/zinc/37/97/92/169379792.db2.gz YICDMHQQPDRTIZ-UHFFFAOYSA-N -1 3 198.291 1.492 10 0 ADAEHM O=C1CSc2c([O-])cccc2N1 34406182 169380558 /nfs/dbraw/zinc/38/05/58/169380558.db2.gz HHSNRRCSRPQQNP-UHFFFAOYSA-N -1 3 181.216 1.436 10 0 ADAEHM O=C1Cc2c([O-])ccc(F)c2N1 150221251 169383842 /nfs/dbraw/zinc/38/38/42/169383842.db2.gz BJNSGYNIRHYCQT-UHFFFAOYSA-N -1 3 167.139 1.026 10 0 ADAEHM O=C1[N-]C(=S)OC1c1ccccc1 27870299 169384636 /nfs/dbraw/zinc/38/46/36/169384636.db2.gz ZKSLQFFTSJWDBI-SSDOTTSWSA-N -1 3 193.227 1.159 10 0 ADAEHM O=C1[N-]C(=S)OC1c1ccccc1 27870304 169384965 /nfs/dbraw/zinc/38/49/65/169384965.db2.gz ZKSLQFFTSJWDBI-ZETCQYMHSA-N -1 3 193.227 1.159 10 0 ADAEHM O=C1[N-]C(=O)c2c1ccc1c2CCC1 28570412 169385099 /nfs/dbraw/zinc/38/50/99/169385099.db2.gz ZHYOCDAGFHASIF-UHFFFAOYSA-N -1 3 187.198 1.059 10 0 ADAEHM O=C1[N-]C(=O)c2c1ccc1[nH]ccc21 28569090 169385242 /nfs/dbraw/zinc/38/52/42/169385242.db2.gz KVIRPIKEFDXNQF-UHFFFAOYSA-N -1 3 186.170 1.052 10 0 in-vivo ADAEHM O=C1[N-]c2c(ccc3ncccc23)C1=O 22165077 169389071 /nfs/dbraw/zinc/38/90/71/169389071.db2.gz HLRRUXIELIKVDG-UHFFFAOYSA-N -1 3 198.181 1.370 10 0 ADAEHM O=C1[N-]c2c(ccc3cccnc23)C1=O 22219446 169389173 /nfs/dbraw/zinc/38/91/73/169389173.db2.gz KGAOSGDOJNBSGZ-UHFFFAOYSA-N -1 3 198.181 1.370 10 0 ADAEHM O=C1[N-]c2c(ccc3cnccc23)C1=O 22211855 169389517 /nfs/dbraw/zinc/38/95/17/169389517.db2.gz GDMWPFLNJZRLBV-UHFFFAOYSA-N -1 3 198.181 1.370 10 0 ADAEHM O=C1[N-]c2cc3ccccc3cc2C1=O 3638431 169390734 /nfs/dbraw/zinc/39/07/34/169390734.db2.gz XHORCFOVPVATAY-UHFFFAOYSA-N -1 3 197.193 1.975 10 0 ADAEHM O=C1OCCN1c1ccccc1[O-] 15015259 169391337 /nfs/dbraw/zinc/39/13/37/169391337.db2.gz OXFSSAMTLGCJRH-UHFFFAOYSA-N -1 3 179.175 1.349 10 0 ADAEHM O=C1OCCc2ccc([O-])cc21 39120504 169392013 /nfs/dbraw/zinc/39/20/13/169392013.db2.gz BXXZHPYUINLWKI-UHFFFAOYSA-N -1 3 164.160 1.105 10 0 ADAEHM O=C1c2cccc([O-])c2CC[C@H]1F 39128218 169393604 /nfs/dbraw/zinc/39/36/04/169393604.db2.gz VKIZBAPIKQQMJS-MRVPVSSYSA-N -1 3 180.178 1.859 10 0 ADAEHM O=C1c2cccc([O-])c2CC[C@@H]1F 45820400 169393613 /nfs/dbraw/zinc/39/36/13/169393613.db2.gz VKIZBAPIKQQMJS-QMMMGPOBSA-N -1 3 180.178 1.859 10 0 ADAEHM O=C[N-]c1nc(=S)ss1 205499307 169399219 /nfs/dbraw/zinc/39/92/19/169399219.db2.gz UIZFBDXFRMQNQK-UHFFFAOYSA-N -1 3 178.263 1.502 10 0 ADAEHM O=Cc1c([O-])cccc1OCC1CC1 95720099 169402436 /nfs/dbraw/zinc/40/24/36/169402436.db2.gz NIWXAZJCJVOALD-UHFFFAOYSA-N -1 3 192.214 1.994 10 0 ADAEHM c1nc2ccc3[n-]snc3c2n1 136968485 343982894 /nfs/dbraw/zinc/98/28/94/343982894.db2.gz TVGLOAYFAFOFPC-UHFFFAOYSA-N -1 3 176.204 1.568 10 0 ADAEHM O=c1[n-]cncc1-c1cccs1 33824139 169417280 /nfs/dbraw/zinc/41/72/80/169417280.db2.gz WFDUTZFILXSXNT-UHFFFAOYSA-N -1 3 178.216 1.498 10 0 ADAEHM O=c1[n-]cncc1-c1cccc(F)c1 96312724 169417582 /nfs/dbraw/zinc/41/75/82/169417582.db2.gz JFLBXCDEXYVDDG-UHFFFAOYSA-N -1 3 190.177 1.576 10 0 ADAEHM O=c1cc(Nc2ccccc2)nc[n-]1 25970998 169419048 /nfs/dbraw/zinc/41/90/48/169419048.db2.gz YJJYVPCMVIQLPX-UHFFFAOYSA-N -1 3 187.202 1.514 10 0 ADAEHM [O-]c1c(CO)ccc(F)c1F 39125649 169438993 /nfs/dbraw/zinc/43/89/93/169438993.db2.gz HRGCLSMDNUIYJP-UHFFFAOYSA-N -1 3 160.119 1.163 10 0 ADAEHM O=c1cc(Cc2ccccc2)[n-][nH]1 39116547 169456861 /nfs/dbraw/zinc/45/68/61/169456861.db2.gz VGFQQHSLHWYJFB-UHFFFAOYSA-N -1 3 174.203 1.706 10 0 ADAEHM [O-]c1ccccc1Oc1cnccn1 37674559 169459678 /nfs/dbraw/zinc/45/96/78/169459678.db2.gz NPYVLUYPXFAYPV-UHFFFAOYSA-N -1 3 188.186 1.975 10 0 ADAEHM [O-]c1cnc(C2CCC2)nc1 72192041 169460439 /nfs/dbraw/zinc/46/04/39/169460439.db2.gz NMMIBAOJGFNHIF-UHFFFAOYSA-N -1 3 150.181 1.450 10 0 ADAEHM O=c1c(O)c[n-]c2c(O)ccc(O)c12 14684905 169460691 /nfs/dbraw/zinc/46/06/91/169460691.db2.gz WXBCVQJUZIAXDB-UHFFFAOYSA-N -1 3 193.158 1.057 10 0 ADAEHM [O-]c1cncc(N2CCCC2)c1 72192784 169461262 /nfs/dbraw/zinc/46/12/62/169461262.db2.gz HPGJREYLDNXSST-UHFFFAOYSA-N -1 3 164.208 1.387 10 0 ADAEHM c1ccc2c(c1)oc1[n-]nnc12 39136316 169480169 /nfs/dbraw/zinc/48/01/69/169480169.db2.gz RYCGEGQIRDSWQV-UHFFFAOYSA-N -1 3 159.148 1.704 10 0 ADAEHM c1ccc2c(c1)oc1nn[n-]c12 39136316 169480170 /nfs/dbraw/zinc/48/01/70/169480170.db2.gz RYCGEGQIRDSWQV-UHFFFAOYSA-N -1 3 159.148 1.704 10 0 ADAEHM c1ccc2c(c1)oc1n[n-]nc12 39136316 169480172 /nfs/dbraw/zinc/48/01/72/169480172.db2.gz RYCGEGQIRDSWQV-UHFFFAOYSA-N -1 3 159.148 1.704 10 0 ADAEHM CCOC(=O)Cc1ccc([O-])cc1F 141256472 344004550 /nfs/dbraw/zinc/00/45/50/344004550.db2.gz DUBCXJKUBKYWQW-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM COC(=O)CCc1ccc([O-])c(F)c1 140269312 343999564 /nfs/dbraw/zinc/99/95/64/343999564.db2.gz MYMMSSQNVBIPMM-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM O=c1cc(-c2ccccc2O)[n-][nH]1 1796963 171003143 /nfs/dbraw/zinc/00/31/43/171003143.db2.gz DHRWTPCPFWAVJP-UHFFFAOYSA-N -1 3 176.175 1.488 10 0 ADAEHM O=c1[n-]c(=S)[nH]c2c1CCCCC2 2009592 171003614 /nfs/dbraw/zinc/00/36/14/171003614.db2.gz XEQFFMYQZILAPT-UHFFFAOYSA-N -1 3 196.275 1.701 10 0 ADAEHM CO[C@@H]1OCc2c1cnc(C)c2[O-] 11737092 171023838 /nfs/dbraw/zinc/02/38/38/171023838.db2.gz VJLOSNVTUZXNCI-SECBINFHSA-N -1 3 181.191 1.271 10 0 ADAEHM COc1ccc2c(=O)c([O-])coc2c1 13481521 171027142 /nfs/dbraw/zinc/02/71/42/171027142.db2.gz RUHKWILQGBGFIK-UHFFFAOYSA-N -1 3 192.170 1.507 10 0 ADAEHM CN1CCc2c(C(=O)[O-])csc2C1 19754880 171035918 /nfs/dbraw/zinc/03/59/18/171035918.db2.gz IYVZEKMFNNGNBO-UHFFFAOYSA-N -1 3 197.259 1.434 10 0 ADAEHM O=c1o[n-]c2c1CCCCC2 22014911 171041779 /nfs/dbraw/zinc/04/17/79/171041779.db2.gz BEGRYGSHNSVWLM-UHFFFAOYSA-N -1 3 153.181 1.649 10 0 ADAEHM C=Cc1c(CO)cnc(C)c1[O-] 31560549 171048360 /nfs/dbraw/zinc/04/83/60/171048360.db2.gz NEGPUHDTBFUPPD-UHFFFAOYSA-N -1 3 165.192 1.231 10 0 ADAEHM NC(=O)c1cc([O-])c2ccccc2c1 34134364 171052990 /nfs/dbraw/zinc/05/29/90/171052990.db2.gz DSKKHLPDEGDRDP-UHFFFAOYSA-N -1 3 187.198 1.644 10 0 ADAEHM CCCc1ncc([O-])cn1 34103670 171053112 /nfs/dbraw/zinc/05/31/12/171053112.db2.gz SQKCMNUCNFQVTR-UHFFFAOYSA-N -1 3 138.170 1.135 10 0 ADAEHM CN(C)c1nc2c([O-])cccc2n1C 34414590 171055021 /nfs/dbraw/zinc/05/50/21/171055021.db2.gz CAEWHSMQFFMXSM-UHFFFAOYSA-N -1 3 191.234 1.345 10 0 ADAEHM C/C=C/C(=O)[N-]C(=O)OC(C)(C)C 34455140 171055696 /nfs/dbraw/zinc/05/56/96/171055696.db2.gz ZFUADHQJRZHCTD-AATRIKPKSA-N -1 3 185.223 1.614 10 0 ADAEHM CC(=O)Nc1cc(N)c(F)cc1[O-] 34433130 171055745 /nfs/dbraw/zinc/05/57/45/171055745.db2.gz OLAIURQIELNYCH-UHFFFAOYSA-N -1 3 184.170 1.072 10 0 ADAEHM NC(=O)c1ccc([O-])c2ncccc12 36381410 171060850 /nfs/dbraw/zinc/06/08/50/171060850.db2.gz ISAQXCNAMABTJT-UHFFFAOYSA-N -1 3 188.186 1.039 10 0 ADAEHM O=c1oc2cccc([O-])c2o1 36447909 171060865 /nfs/dbraw/zinc/06/08/65/171060865.db2.gz GUFBCFUTLOKYBX-UHFFFAOYSA-N -1 3 152.105 1.092 10 0 ADAEHM O=C1[N-]C(=O)[C@@H](CC2CCCCC2)N1 36466941 171061370 /nfs/dbraw/zinc/06/13/70/171061370.db2.gz JLMOTEMRNVWPED-MRVPVSSYSA-N -1 3 196.250 1.165 10 0 ADAEHM CN(C)[C@@H](C(=O)[O-])c1cccc(O)c1 37358427 171064222 /nfs/dbraw/zinc/06/42/22/171064222.db2.gz CHJYHMOTGAUTEO-SECBINFHSA-N -1 3 195.218 1.080 10 0 ADAEHM C=Cc1cc([O-])cnc1F 39050832 171065775 /nfs/dbraw/zinc/06/57/75/171065775.db2.gz MPOSXFPVGBOHFE-UHFFFAOYSA-N -1 3 139.129 1.569 10 0 ADAEHM O=c1nncc(-c2ccc(F)cc2)[n-]1 38541291 171070128 /nfs/dbraw/zinc/07/01/28/171070128.db2.gz FROJMNJWKVERNS-UHFFFAOYSA-N -1 3 191.165 1.383 10 0 ADAEHM [O-]c1cccc(C(O)=S)c1 39059514 171071679 /nfs/dbraw/zinc/07/16/79/171071679.db2.gz SYUJXGSLYUWEDD-UHFFFAOYSA-N -1 3 154.190 1.626 10 0 ADAEHM Cc1ccnc(N)c1[S-] 39054261 171071902 /nfs/dbraw/zinc/07/19/02/171071902.db2.gz LPYFCZUFSOUKPD-UHFFFAOYSA-N -1 3 140.211 1.261 10 0 ADAEHM S=c1ccnc(Cl)[n-]1 39053245 171071984 /nfs/dbraw/zinc/07/19/84/171071984.db2.gz VWKVTWGTAQAXRC-UHFFFAOYSA-N -1 3 146.602 1.419 10 0 ADAEHM O=c1[n-]oc2nc(Cl)ccc12 39113349 171075223 /nfs/dbraw/zinc/07/52/23/171075223.db2.gz HFCLXOMLSRFWMM-UHFFFAOYSA-N -1 3 170.555 1.582 10 0 ADAEHM CN(C)CCOc1ccc([S-])cn1 39117256 171075281 /nfs/dbraw/zinc/07/52/81/171075281.db2.gz BSUOTZAEXJVVON-UHFFFAOYSA-N -1 3 198.291 1.311 10 0 ADAEHM O=c1[nH]c(=S)[n-]nc1C1CCCC1 39112581 171075581 /nfs/dbraw/zinc/07/55/81/171075581.db2.gz KJDIICUPWKWNQE-UHFFFAOYSA-N -1 3 197.263 1.897 10 0 ADAEHM O=c1[n-]oc2ncc(Cl)cc12 39113348 171075757 /nfs/dbraw/zinc/07/57/57/171075757.db2.gz WJOKFKUXLYTYPC-UHFFFAOYSA-N -1 3 170.555 1.582 10 0 ADAEHM NNc1ccc([O-])c(Cl)c1 39129687 171076042 /nfs/dbraw/zinc/07/60/42/171076042.db2.gz JVGPNAUCOPHMSN-UHFFFAOYSA-N -1 3 158.588 1.331 10 0 ADAEHM S=c1cc([S-])cc[nH]1 39237322 171077532 /nfs/dbraw/zinc/07/75/32/171077532.db2.gz KGQJOPJSIZEIDD-UHFFFAOYSA-N -1 3 143.236 1.659 10 0 ADAEHM S=c1cc[nH]c([S-])c1 39237322 171077533 /nfs/dbraw/zinc/07/75/33/171077533.db2.gz KGQJOPJSIZEIDD-UHFFFAOYSA-N -1 3 143.236 1.659 10 0 ADAEHM [O-]c1c(Cl)ccc2c1OCCO2 39249438 171077627 /nfs/dbraw/zinc/07/76/27/171077627.db2.gz SKCSEZICZDRYDU-UHFFFAOYSA-N -1 3 186.594 1.817 10 0 ADAEHM O=c1c(CO)c[n-]c2ccc(F)cc12 39298183 171077998 /nfs/dbraw/zinc/07/79/98/171077998.db2.gz WZWHUBIVAMSGGX-UHFFFAOYSA-N -1 3 193.177 1.160 10 0 ADAEHM O=c1c(CO)c[n-]c2cc(F)ccc12 39298132 171078175 /nfs/dbraw/zinc/07/81/75/171078175.db2.gz DBTIAXSTNJXFCH-UHFFFAOYSA-N -1 3 193.177 1.160 10 0 ADAEHM CC(=O)C(=C(C)[O-])c1ccco1 39271863 171078267 /nfs/dbraw/zinc/07/82/67/171078267.db2.gz YLHHGNLPMSROAJ-UHFFFAOYSA-N -1 3 166.176 1.541 10 0 ADAEHM COc1ccc([O-])c2c1C(=O)OC2 39644653 171079346 /nfs/dbraw/zinc/07/93/46/171079346.db2.gz QAKVQUXFEGWVQJ-UHFFFAOYSA-N -1 3 180.159 1.071 10 0 ADAEHM CN(C)c1nc(C(C)(C)C)cc(=O)[n-]1 40887690 171081345 /nfs/dbraw/zinc/08/13/45/171081345.db2.gz VBELCVXMXGOINB-UHFFFAOYSA-N -1 3 195.266 1.133 10 0 ADAEHM [O-]c1cccc(O)c1-c1c[nH]cn1 40981028 171081576 /nfs/dbraw/zinc/08/15/76/171081576.db2.gz VMNQZTQDHXFNPD-UHFFFAOYSA-N -1 3 176.175 1.488 10 0 in-vivo ADAEHM Nc1[nH][n-]c(=O)c1-c1ccc(F)cc1 39207997 171084724 /nfs/dbraw/zinc/08/47/24/171084724.db2.gz KFQYDSYXYAQLJP-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM [O-]c1c(F)cc(F)cc1CCCO 44396128 171090277 /nfs/dbraw/zinc/09/02/77/171090277.db2.gz KENVTWWLTQYLFH-UHFFFAOYSA-N -1 3 188.173 1.595 10 0 ADAEHM [O-]c1cccc(F)c1CCCO 44396231 171090563 /nfs/dbraw/zinc/09/05/63/171090563.db2.gz QBPWMTXRFBIYKU-UHFFFAOYSA-N -1 3 170.183 1.456 10 0 ADAEHM COc1ccc([O-])c2ncn(C)c12 45238261 171092273 /nfs/dbraw/zinc/09/22/73/171092273.db2.gz LUAXQFABZGIXBR-UHFFFAOYSA-N -1 3 178.191 1.288 10 0 ADAEHM COc1ccc([O-])c2nc[nH]c12 45238262 171092289 /nfs/dbraw/zinc/09/22/89/171092289.db2.gz HJNMOSLKFRAQKR-UHFFFAOYSA-N -1 3 164.164 1.277 10 0 ADAEHM NC(=O)c1nc2c([O-])cccc2s1 45235860 171092672 /nfs/dbraw/zinc/09/26/72/171092672.db2.gz FMFHBFZTESFEJK-UHFFFAOYSA-N -1 3 194.215 1.101 10 0 ADAEHM O=c1cc(C2CCCC2)[n-][nH]1 45809699 171093214 /nfs/dbraw/zinc/09/32/14/171093214.db2.gz JLGLTWNOEJRGGG-UHFFFAOYSA-N -1 3 152.197 1.773 10 0 ADAEHM CC(C)c1ccccc1[C@H](N)C(=O)[O-] 72191093 171108971 /nfs/dbraw/zinc/10/89/71/171108971.db2.gz XRTLILVFDFHHSW-JTQLQIEISA-N -1 3 193.246 1.894 10 0 ADAEHM O=c1[n-]c2cc(F)cnc2o1 74330556 171111440 /nfs/dbraw/zinc/11/14/40/171111440.db2.gz CIRVLSKOKDBONA-UHFFFAOYSA-N -1 3 154.100 1.068 10 0 ADAEHM O=C1N=NC(c2ccccc2[O-])O1 75568170 171113725 /nfs/dbraw/zinc/11/37/25/171113725.db2.gz GZEMTQWHVDJDBT-UHFFFAOYSA-N -1 3 178.147 1.148 10 0 ADAEHM O=c1nc(-c2ccccc2[O-])cc[nH]1 75578303 171113870 /nfs/dbraw/zinc/11/38/70/171113870.db2.gz UQHGUBHMZLFSFT-UHFFFAOYSA-N -1 3 188.186 1.555 10 0 ADAEHM COc1ccc([O-])c2ncncc12 75566127 171113874 /nfs/dbraw/zinc/11/38/74/171113874.db2.gz QLSKNFIUOOFDKG-UHFFFAOYSA-N -1 3 176.175 1.344 10 0 ADAEHM CCc1[nH]c(=S)[n-]c(=O)c1CC 75576684 171113898 /nfs/dbraw/zinc/11/38/98/171113898.db2.gz WBWROCLSSUPQQS-UHFFFAOYSA-N -1 3 184.264 1.557 10 0 ADAEHM O=C1N=NC(=O)N1c1ccc([O-])cc1 75580011 171114260 /nfs/dbraw/zinc/11/42/60/171114260.db2.gz JUTKMAGGSDKXHP-UHFFFAOYSA-N -1 3 191.146 1.904 10 0 ADAEHM CC(C)N(C(N)=O)c1ccccc1[O-] 75596549 171114369 /nfs/dbraw/zinc/11/43/69/171114369.db2.gz ULLIMJKSOKZVRM-UHFFFAOYSA-N -1 3 194.234 1.686 10 0 ADAEHM CC1(C)COC(c2cccc([O-])c2)=N1 75580120 171114436 /nfs/dbraw/zinc/11/44/36/171114436.db2.gz DITFWVRRERYEFZ-UHFFFAOYSA-N -1 3 191.230 1.948 10 0 ADAEHM [O-]c1ccc(C2=NCCO2)c(Cl)c1 75600183 171114603 /nfs/dbraw/zinc/11/46/03/171114603.db2.gz WCFLKYWMIKNKRS-UHFFFAOYSA-N -1 3 197.621 1.822 10 0 ADAEHM O=C1[N-]C(=O)[C@H](C2CCCCCC2)N1 82909175 171127739 /nfs/dbraw/zinc/12/77/39/171127739.db2.gz WODDAYPUJKJOFJ-QMMMGPOBSA-N -1 3 196.250 1.165 10 0 ADAEHM O=C1[N-]C(=O)[C@@H](C2CCCCCC2)N1 82909174 171127973 /nfs/dbraw/zinc/12/79/73/171127973.db2.gz WODDAYPUJKJOFJ-MRVPVSSYSA-N -1 3 196.250 1.165 10 0 ADAEHM CNc1ccc(F)c([O-])c1 84426192 171131504 /nfs/dbraw/zinc/13/15/04/171131504.db2.gz PWNIAIMUDRMTSQ-UHFFFAOYSA-N -1 3 141.145 1.573 10 0 ADAEHM O=c1cccc2[nH][n-]c(F)c1-2 89195835 171133082 /nfs/dbraw/zinc/13/30/82/171133082.db2.gz CVXNBDRIWIXVNK-UHFFFAOYSA-N -1 3 152.128 1.408 10 0 ADAEHM [O-]c1cccc2[nH]nc(F)c12 89195835 171133084 /nfs/dbraw/zinc/13/30/84/171133084.db2.gz CVXNBDRIWIXVNK-UHFFFAOYSA-N -1 3 152.128 1.408 10 0 ADAEHM O=c1ccc(Cl)c2[n-][nH]cc1-2 89196546 171133862 /nfs/dbraw/zinc/13/38/62/171133862.db2.gz SWFUJMZGOFIFCT-UHFFFAOYSA-N -1 3 168.583 1.922 10 0 ADAEHM O=c1[nH]c(Cl)cc2nc[n-]c12 89203248 171134048 /nfs/dbraw/zinc/13/40/48/171134048.db2.gz HIEGVVVCZYVIBQ-UHFFFAOYSA-N -1 3 169.571 1.317 10 0 ADAEHM O=c1cc(C2CCCCC2)[nH][n-]c1=O 95589149 171135977 /nfs/dbraw/zinc/13/59/77/171135977.db2.gz VVTXBSWKKUAAHP-UHFFFAOYSA-N -1 3 194.234 1.523 10 0 ADAEHM O=c1cc(C2CCCCC2)[n-][nH]c1=O 95589149 171135979 /nfs/dbraw/zinc/13/59/79/171135979.db2.gz VVTXBSWKKUAAHP-UHFFFAOYSA-N -1 3 194.234 1.523 10 0 ADAEHM CC(C)c1cccc(C(N)=O)c1[O-] 95710441 171137154 /nfs/dbraw/zinc/13/71/54/171137154.db2.gz WITTVXRXPZJLTJ-UHFFFAOYSA-N -1 3 179.219 1.615 10 0 ADAEHM NC(=O)c1ccc([O-])c(CC2CC2)c1 95720851 171137197 /nfs/dbraw/zinc/13/71/97/171137197.db2.gz ASKHOOBIYYYWAF-UHFFFAOYSA-N -1 3 191.230 1.444 10 0 ADAEHM NC(=O)c1ccc(CC2CC2)cc1[O-] 95713563 171137247 /nfs/dbraw/zinc/13/72/47/171137247.db2.gz MPJPTEOEVUAEMO-UHFFFAOYSA-N -1 3 191.230 1.444 10 0 ADAEHM CC(C)c1cccc([O-])c1C(N)=O 95710458 171137391 /nfs/dbraw/zinc/13/73/91/171137391.db2.gz NOAJIPUJPYKXSA-UHFFFAOYSA-N -1 3 179.219 1.615 10 0 ADAEHM NC(=O)c1cccc(CC2CC2)c1[O-] 95723732 171137546 /nfs/dbraw/zinc/13/75/46/171137546.db2.gz PKWXTAIMXRSFII-UHFFFAOYSA-N -1 3 191.230 1.444 10 0 ADAEHM NC(=O)c1cc([O-])cc(CC2CC2)c1 95721553 171137565 /nfs/dbraw/zinc/13/75/65/171137565.db2.gz OKMBECOCYXSLES-UHFFFAOYSA-N -1 3 191.230 1.444 10 0 ADAEHM NC(=O)c1cc(CC2CC2)ccc1[O-] 95722682 171137569 /nfs/dbraw/zinc/13/75/69/171137569.db2.gz BAMXBWQLKZOQGP-UHFFFAOYSA-N -1 3 191.230 1.444 10 0 ADAEHM CNc1ccc(C(=O)N(C)C)c([O-])c1 95725072 171137826 /nfs/dbraw/zinc/13/78/26/171137826.db2.gz ILNOVEDHBBRFEH-UHFFFAOYSA-N -1 3 194.234 1.136 10 0 ADAEHM CC(=O)Nc1cc([O-])cc(C(C)=O)c1 95764588 171139254 /nfs/dbraw/zinc/13/92/54/171139254.db2.gz GKLBSXPVSPUOTJ-UHFFFAOYSA-N -1 3 193.202 1.553 10 0 ADAEHM CC(=O)Nc1cc([O-])cc(C=O)c1 95764466 171139343 /nfs/dbraw/zinc/13/93/43/171139343.db2.gz LFWJHQHESQGRNL-UHFFFAOYSA-N -1 3 179.175 1.163 10 0 ADAEHM O=C([O-])c1nc2[nH]ccc(O)c-2c1F 95937142 171140893 /nfs/dbraw/zinc/14/08/93/171140893.db2.gz YVOSSRZVGVJCPM-UHFFFAOYSA-N -1 3 196.137 1.106 10 0 ADAEHM Cc1ccc2[nH]c(=O)c(N)c([O-])c2c1 143009836 171142655 /nfs/dbraw/zinc/14/26/55/171142655.db2.gz ZNSXUUJADIHWOJ-UHFFFAOYSA-N -1 3 190.202 1.124 10 0 ADAEHM CCCCc1c(C)[n-]oc1=O 100279131 171144668 /nfs/dbraw/zinc/14/46/68/171144668.db2.gz OWLGHUMFHAXKDE-UHFFFAOYSA-N -1 3 155.197 1.619 10 0 ADAEHM O=c1o[n-]cc1-c1ccccn1 100279688 171144689 /nfs/dbraw/zinc/14/46/89/171144689.db2.gz RRLOYSUZXAGALT-UHFFFAOYSA-N -1 3 162.148 1.030 10 0 ADAEHM [O-]n1cnnc1Cc1ccccc1 101369801 171145795 /nfs/dbraw/zinc/14/57/95/171145795.db2.gz SJAPIRXUMQINFZ-UHFFFAOYSA-N -1 3 175.191 1.106 10 0 ADAEHM O=c1o[nH]cc1-c1ccccc1[O-] 106569348 171149770 /nfs/dbraw/zinc/14/97/70/171149770.db2.gz NOTAXYSBKNCWTG-UHFFFAOYSA-N -1 3 177.159 1.341 10 0 ADAEHM [O-]n1cc2ccccc2n1 113460043 171154414 /nfs/dbraw/zinc/15/44/14/171154414.db2.gz QNYMGUPEYDOENH-UHFFFAOYSA-N -1 3 134.138 1.274 10 0 ADAEHM CC(C)c1ccccc1[C@@H](N)C(=O)[O-] 82388204 171168859 /nfs/dbraw/zinc/16/88/59/171168859.db2.gz XRTLILVFDFHHSW-SNVBAGLBSA-N -1 3 193.246 1.894 10 0 ADAEHM O=C([O-])c1scc2c1CCNC2 82394109 171170121 /nfs/dbraw/zinc/17/01/21/171170121.db2.gz HQFPSWQPWFGXJS-UHFFFAOYSA-N -1 3 183.232 1.092 10 0 ADAEHM O=C([O-])c1scc2c1CNCC2 82394106 171170131 /nfs/dbraw/zinc/17/01/31/171170131.db2.gz HJKWIEYLCIRKNX-UHFFFAOYSA-N -1 3 183.232 1.092 10 0 ADAEHM O=C([O-])c1scc2c1CNC2 82401506 171171000 /nfs/dbraw/zinc/17/10/00/171171000.db2.gz WNKMMGCXFRBARN-UHFFFAOYSA-N -1 3 169.205 1.050 10 0 ADAEHM O=C([O-])C[C@@H]1NCc2ccccc21 82398399 171171144 /nfs/dbraw/zinc/17/11/44/171171144.db2.gz XITJWUMAALXOKV-VIFPVBQESA-N -1 3 177.203 1.306 10 0 ADAEHM O=C([O-])Cc1cc2c[nH]ccc-2n1 82398868 171171164 /nfs/dbraw/zinc/17/11/64/171171164.db2.gz REZJBGRXUNGOBQ-UHFFFAOYSA-N -1 3 176.175 1.190 10 0 ADAEHM O=C([O-])Cc1cc2cnccc2[nH]1 82398868 171171166 /nfs/dbraw/zinc/17/11/66/171171166.db2.gz REZJBGRXUNGOBQ-UHFFFAOYSA-N -1 3 176.175 1.190 10 0 ADAEHM O=c1[n-]nc(-c2ccoc2)o1 38538387 171174766 /nfs/dbraw/zinc/17/47/66/171174766.db2.gz QONRBVCGRANUPS-UHFFFAOYSA-N -1 3 152.109 1.035 10 0 ADAEHM O=C([O-])Cc1cnc2cc[nH]cc1-2 82868835 171176182 /nfs/dbraw/zinc/17/61/82/171176182.db2.gz KXFDOESZSSQBSN-UHFFFAOYSA-N -1 3 176.175 1.190 10 0 ADAEHM O=C([O-])Cc1c[nH]c2ccncc12 82868835 171176183 /nfs/dbraw/zinc/17/61/83/171176183.db2.gz KXFDOESZSSQBSN-UHFFFAOYSA-N -1 3 176.175 1.190 10 0 ADAEHM O=c1cc(-c2ccccc2O)s[n-]1 82892291 171177118 /nfs/dbraw/zinc/17/71/18/171177118.db2.gz IHDQSUYYZHBXOE-UHFFFAOYSA-N -1 3 193.227 1.809 10 0 ADAEHM CCOC(=O)Cc1ccc(F)c([O-])c1 211842371 171179854 /nfs/dbraw/zinc/17/98/54/171179854.db2.gz LPEFUOCOQTZITP-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CN(C)[C@@H](CC(=O)[O-])c1cccnc1 57489309 171182403 /nfs/dbraw/zinc/18/24/03/171182403.db2.gz ZFAJMJUHNRMPCA-VIFPVBQESA-N -1 3 194.234 1.159 10 0 ADAEHM CN(C)[C@@H](CC(=O)[O-])c1cccs1 57490570 171182629 /nfs/dbraw/zinc/18/26/29/171182629.db2.gz BAAXSYXYBJYLSK-ZETCQYMHSA-N -1 3 199.275 1.826 10 0 ADAEHM COC(=O)c1c(C)ccc([O-])c1C=O 44138649 171190363 /nfs/dbraw/zinc/19/03/63/171190363.db2.gz ZYQJMZXSIHLCEN-UHFFFAOYSA-N -1 3 194.186 1.300 10 0 ADAEHM CC(C)c1cccc2c1[nH]c(=O)n2[O-] 95576011 171197790 /nfs/dbraw/zinc/19/77/90/171197790.db2.gz YQOBAVYEIMLOBN-UHFFFAOYSA-N -1 3 192.218 1.690 10 0 ADAEHM CC(C)c1cnc(C2CC2)[n-]c1=O 96311259 171199213 /nfs/dbraw/zinc/19/92/13/171199213.db2.gz UMORNXUSJIHKRF-UHFFFAOYSA-N -1 3 178.235 1.771 10 0 ADAEHM O=c1ncc(-c2ccccc2[O-])c[nH]1 65344493 171199364 /nfs/dbraw/zinc/19/93/64/171199364.db2.gz YSAMXITWYSFPSH-UHFFFAOYSA-N -1 3 188.186 1.143 10 0 ADAEHM CCCc1ccc2c(c1)[N-]C(=O)C2=O 149204907 344062942 /nfs/dbraw/zinc/06/29/42/344062942.db2.gz OASUAJCLNNGPRS-UHFFFAOYSA-N -1 3 189.214 1.774 10 0 ADAEHM [O-]n1cc(Cl)c(Cl)n1 196363787 171206998 /nfs/dbraw/zinc/20/69/98/171206998.db2.gz WZSDGOFBRHSNIW-UHFFFAOYSA-N -1 3 152.968 1.427 10 0 ADAEHM [O-]c1cccc(C2=NCCO2)c1 168961532 171213956 /nfs/dbraw/zinc/21/39/56/171213956.db2.gz RIZOJFCPZDFNDF-UHFFFAOYSA-N -1 3 163.176 1.169 10 0 ADAEHM S=c1[n-]ccc2ncccc12 40539551 171217374 /nfs/dbraw/zinc/21/73/74/171217374.db2.gz GQJFSHHYOCKMPH-UHFFFAOYSA-N -1 3 162.217 1.919 10 0 ADAEHM COC(=O)c1c(C(C)(C)C)n[n-]c1C 247997402 171219716 /nfs/dbraw/zinc/21/97/16/171219716.db2.gz AOZHPLOVPUDRKN-UHFFFAOYSA-N -1 3 196.250 1.802 10 0 ADAEHM COC(=O)c1c(C)n[n-]c1C(C)(C)C 247997402 171219717 /nfs/dbraw/zinc/21/97/17/171219717.db2.gz AOZHPLOVPUDRKN-UHFFFAOYSA-N -1 3 196.250 1.802 10 0 ADAEHM Nc1c(C(=O)[O-])oc2ccsc12 82337454 171222487 /nfs/dbraw/zinc/22/24/87/171222487.db2.gz MKJWUMMUUTWEDL-UHFFFAOYSA-N -1 3 183.188 1.775 10 0 ADAEHM C=Cc1c[n-]c(=S)o1 13542976 171222775 /nfs/dbraw/zinc/22/27/75/171222775.db2.gz TUUZNVBKGBDDJQ-UHFFFAOYSA-N -1 3 127.168 1.980 10 0 ADAEHM S=c1nnc(-c2ccccc2)c[n-]1 33754317 171225223 /nfs/dbraw/zinc/22/52/23/171225223.db2.gz FSTKPYCQVNEYIO-UHFFFAOYSA-N -1 3 189.243 1.827 10 0 ADAEHM CN(C)N=c1[n-]c(Cl)ncc1F 149618635 344068741 /nfs/dbraw/zinc/06/87/41/344068741.db2.gz ZFXQMAFRUPDTME-UHFFFAOYSA-N -1 3 190.609 1.158 10 0 ADAEHM CN(C)N=c1nc(Cl)[n-]cc1F 149618635 344068742 /nfs/dbraw/zinc/06/87/42/344068742.db2.gz ZFXQMAFRUPDTME-UHFFFAOYSA-N -1 3 190.609 1.158 10 0 ADAEHM CC1(C)C[C@H]1n1c(CO)n[n-]c1=S 155643224 344080201 /nfs/dbraw/zinc/08/02/01/344080201.db2.gz LFAJIIZDSFRANZ-RXMQYKEDSA-N -1 3 199.279 1.030 10 0 ADAEHM C[C@@H]1CC[C@H](C2CC(=O)C=C([O-])C2)O1 150315958 344079703 /nfs/dbraw/zinc/07/97/03/344079703.db2.gz TYZQRLXOZMYLRM-RDDDGLTNSA-N -1 3 196.246 1.492 10 0 ADAEHM [O-]c1ccc(-c2cncnc2)c(F)c1 156700773 344093837 /nfs/dbraw/zinc/09/38/37/344093837.db2.gz ATDGFDYRIMWRQN-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM Cn1cc(-c2cncc([O-])c2)cn1 156688552 344093984 /nfs/dbraw/zinc/09/39/84/344093984.db2.gz KAWXRVPGHUPXQW-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM [O-]c1cccnc1-c1cncnc1 156701216 344094155 /nfs/dbraw/zinc/09/41/55/344094155.db2.gz XFTMUVLXGJTVQL-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM Cn1cc(-c2cc([O-])cc(F)c2)cn1 156687980 344094172 /nfs/dbraw/zinc/09/41/72/344094172.db2.gz WZDUSAFDXDQZOB-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM [O-]c1cncc(-c2cnccn2)c1 156753908 344094732 /nfs/dbraw/zinc/09/47/32/344094732.db2.gz TXOLUDXZWTVPEO-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM CCCc1nc2c(c(=O)[n-]1)CSC2 157745846 344113204 /nfs/dbraw/zinc/11/32/04/344113204.db2.gz JSWRLXIEULKVHU-UHFFFAOYSA-N -1 3 196.275 1.469 10 0 ADAEHM COC(=O)c1nc2ccc(C)[n-]c-2n1 159216481 344140809 /nfs/dbraw/zinc/14/08/09/344140809.db2.gz JQCGFYSWOHMLBU-UHFFFAOYSA-N -1 3 191.190 1.053 10 0 ADAEHM O=C(c1ccc([O-])cc1)N1CCCO1 164344734 344242495 /nfs/dbraw/zinc/24/24/95/344242495.db2.gz SUKIDCDZELGQGJ-UHFFFAOYSA-N -1 3 193.202 1.170 10 0 ADAEHM O=C(c1cccc([O-])c1)N1CCCO1 164350987 344242825 /nfs/dbraw/zinc/24/28/25/344242825.db2.gz YEZCEACSMFPXSQ-UHFFFAOYSA-N -1 3 193.202 1.170 10 0 ADAEHM CC(C)[C@H](C)Nc1cc(=O)[n-]cn1 165163344 344259031 /nfs/dbraw/zinc/25/90/31/344259031.db2.gz RCENZDCIOBOQSV-ZETCQYMHSA-N -1 3 181.239 1.226 10 0 ADAEHM Cc1nc(NC2CC2)cc(=O)[n-]1 165166375 344259099 /nfs/dbraw/zinc/25/90/99/344259099.db2.gz UOHOOPDWEYREDV-UHFFFAOYSA-N -1 3 165.196 1.065 10 0 ADAEHM Cc1nc(NCC(F)F)cc(=O)[n-]1 165315760 344261891 /nfs/dbraw/zinc/26/18/91/344261891.db2.gz MEFCYPUWWQEHLR-UHFFFAOYSA-N -1 3 189.165 1.168 10 0 ADAEHM CCc1nc(N[C@H]2C[C@H]2C)cc(=O)[n-]1 165801063 344270321 /nfs/dbraw/zinc/27/03/21/344270321.db2.gz PJZYCVBNPUOAJC-RQJHMYQMSA-N -1 3 193.250 1.153 10 0 ADAEHM FC(F)c1nc2cncnc2[n-]1 165876506 344271676 /nfs/dbraw/zinc/27/16/76/344271676.db2.gz JENHURCJOIXMGO-UHFFFAOYSA-N -1 3 170.122 1.291 10 0 ADAEHM Cc1c[nH]c(=O)c2ccc([O-])cc12 166286242 344278234 /nfs/dbraw/zinc/27/82/34/344278234.db2.gz PKEXOJIZXOQVAW-UHFFFAOYSA-N -1 3 175.187 1.542 10 0 ADAEHM Cc1nc(=O)[n-]n1C(C)(C)C 169217945 344348935 /nfs/dbraw/zinc/34/89/35/344348935.db2.gz JQLJGXFWLPQHOH-UHFFFAOYSA-N -1 3 155.201 1.047 10 0 ADAEHM CCc1nc(=O)[n-]n1C(C)(C)C 169218027 344348940 /nfs/dbraw/zinc/34/89/40/344348940.db2.gz VBRZCTLWWOHEGT-UHFFFAOYSA-N -1 3 169.228 1.301 10 0 ADAEHM COc1cc(Cl)ncc1[O-] 214948013 344384469 /nfs/dbraw/zinc/38/44/69/344384469.db2.gz POHIKFRPXNXASO-UHFFFAOYSA-N -1 3 159.572 1.449 10 0 ADAEHM O=C(c1cccc([O-])c1)N1CCC1 221173497 344439164 /nfs/dbraw/zinc/43/91/64/344439164.db2.gz YIAKSIZXRKRSIG-UHFFFAOYSA-N -1 3 177.203 1.238 10 0 ADAEHM Cc1sccc1C(=O)c1cnn[n-]1 227774839 344547202 /nfs/dbraw/zinc/54/72/02/344547202.db2.gz WQSGBDSHCWVTMD-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM CC(C)(O)c1n[n-]c(=S)n1C1CC1 228207725 344559257 /nfs/dbraw/zinc/55/92/57/344559257.db2.gz YXDWYSCWRIPOLZ-UHFFFAOYSA-N -1 3 199.279 1.129 10 0 ADAEHM COc1ccc(C(=O)[N-]C#N)c(F)c1 228757013 344567840 /nfs/dbraw/zinc/56/78/40/344567840.db2.gz PTTJYZGSODAUTP-UHFFFAOYSA-N -1 3 194.165 1.045 10 0 ADAEHM CCc1nc(OC(C)C)cc(=O)[n-]1 229305770 344590185 /nfs/dbraw/zinc/59/01/85/344590185.db2.gz UTQJREYELGPAML-UHFFFAOYSA-N -1 3 182.223 1.120 10 0 ADAEHM CCOCC(=O)[N-]c1onc(C)c1C 229763252 344614949 /nfs/dbraw/zinc/61/49/49/344614949.db2.gz UQXJHCSXAKCCCZ-UHFFFAOYSA-N -1 3 198.222 1.266 10 0 ADAEHM Cc1cncc2c(=O)c(Cl)c[n-]c12 230094900 344626263 /nfs/dbraw/zinc/62/62/63/344626263.db2.gz KAXCGBABVRCDGP-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM Cc1nccc2c(=O)c(Cl)c[n-]c12 230094656 344626306 /nfs/dbraw/zinc/62/63/06/344626306.db2.gz IHIVLCZIIAHXMM-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM O=c1c(Cl)c[n-]c2nc(F)ccc12 230094888 344626313 /nfs/dbraw/zinc/62/63/13/344626313.db2.gz HQCXYVWQRSKMER-UHFFFAOYSA-N -1 3 198.584 1.716 10 0 ADAEHM CCONC(=O)c1ccc([O-])cc1C 230321431 344630791 /nfs/dbraw/zinc/63/07/91/344630791.db2.gz QILQZGZOGKXXGO-UHFFFAOYSA-N -1 3 195.218 1.382 10 0 ADAEHM COCc1coc(=S)[n-]1 231721905 344658179 /nfs/dbraw/zinc/65/81/79/344658179.db2.gz DFCBOGCBRNUOII-UHFFFAOYSA-N -1 3 145.183 1.110 10 0 ADAEHM CC(C)N1CCc2[n-]c(=S)oc2C1 232630337 344686266 /nfs/dbraw/zinc/68/62/66/344686266.db2.gz CNDRAEGLNSNVKR-UHFFFAOYSA-N -1 3 198.291 1.730 10 0 ADAEHM CCC1(CN2CC(=O)[N-]C2=O)CCC1 232932685 344697426 /nfs/dbraw/zinc/69/74/26/344697426.db2.gz OQTLVSCWGUDEIA-UHFFFAOYSA-N -1 3 196.250 1.119 10 0 ADAEHM CCCN1CCc2[n-]c(=S)oc2C1 233035877 344699259 /nfs/dbraw/zinc/69/92/59/344699259.db2.gz NOGDJSIAUDTFLQ-UHFFFAOYSA-N -1 3 198.291 1.731 10 0 ADAEHM COC(=O)c1cc([S-])cs1 234639292 344724619 /nfs/dbraw/zinc/72/46/19/344724619.db2.gz JSZCLILLNJOASQ-UHFFFAOYSA-N -1 3 174.246 1.823 10 0 ADAEHM C[C@@H]1Cc2[n-]c(=S)oc2[C@@H](C)O1 235355887 344745766 /nfs/dbraw/zinc/74/57/66/344745766.db2.gz SEIAGDIKTHBSEM-RFZPGFLSSA-N -1 3 185.248 1.986 10 0 ADAEHM Cc1cc(Cl)c(C(=O)[N-]C#N)cn1 235773998 344766066 /nfs/dbraw/zinc/76/60/66/344766066.db2.gz BPCLCSGLHNCSOL-UHFFFAOYSA-N -1 3 195.609 1.254 10 0 ADAEHM Cc1ccncc1-c1n[n-]c(=O)s1 235777337 344766081 /nfs/dbraw/zinc/76/60/81/344766081.db2.gz IBPUUDSHGDTWBJ-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM Cc1nc(OC(C)(C)C)cc(=O)[n-]1 235791680 344766846 /nfs/dbraw/zinc/76/68/46/344766846.db2.gz FBDPRDLKYKJTED-UHFFFAOYSA-N -1 3 182.223 1.668 10 0 ADAEHM Cc1nc(OCC(F)F)cc(=O)[n-]1 235791786 344766856 /nfs/dbraw/zinc/76/68/56/344766856.db2.gz UAYQNXGFWGTFIP-UHFFFAOYSA-N -1 3 190.149 1.135 10 0 ADAEHM Cc1c(-c2cccnc2)nc[n-]c1=O 235842881 344768890 /nfs/dbraw/zinc/76/88/90/344768890.db2.gz BRASVNJVWCVEDT-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2CC2(C)C)n1 235859358 344769309 /nfs/dbraw/zinc/76/93/09/344769309.db2.gz IGSGMOKFSQLUEZ-ZETCQYMHSA-N -1 3 178.235 1.592 10 0 ADAEHM Cc1cc(-c2n[n-]c(=O)s2)ccn1 235870840 344769318 /nfs/dbraw/zinc/76/93/18/344769318.db2.gz YERRRJMIXHIIMQ-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM Cc1cc(-c2cnc[n-]c2=O)cs1 235869065 344769325 /nfs/dbraw/zinc/76/93/25/344769325.db2.gz RBSWTPRABKGYIY-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1ccc(-c2cnc[n-]c2=O)s1 235901716 344769689 /nfs/dbraw/zinc/76/96/89/344769689.db2.gz LBNRPCIPAKCOEH-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1ccc(-c2n[n-]c(=O)s2)cc1 235904318 344769694 /nfs/dbraw/zinc/76/96/94/344769694.db2.gz DXKNXWSQTLUWDF-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1nc(OC2CCCC2)cc(=O)[n-]1 235934445 344770081 /nfs/dbraw/zinc/77/00/81/344770081.db2.gz JLLODOSXZZTERK-UHFFFAOYSA-N -1 3 194.234 1.812 10 0 ADAEHM Cc1nc([C@H]2CC2(C)C)[n-]c(=O)c1C 235936944 344770124 /nfs/dbraw/zinc/77/01/24/344770124.db2.gz SCLDSOWLADBHFD-MRVPVSSYSA-N -1 3 192.262 1.900 10 0 ADAEHM Cc1nc(-c2ccc[nH]2)cc(=O)[n-]1 235953578 344770444 /nfs/dbraw/zinc/77/04/44/344770444.db2.gz PATXULBRDYNVPA-UHFFFAOYSA-N -1 3 175.191 1.073 10 0 ADAEHM Cc1nc2ccc(O)cc2c(=S)[n-]1 235954027 344770457 /nfs/dbraw/zinc/77/04/57/344770457.db2.gz AKUJLQJTYYABKY-UHFFFAOYSA-N -1 3 192.243 1.933 10 0 ADAEHM Cc1nc2cccc(N)c2c(=S)[n-]1 235953815 344770498 /nfs/dbraw/zinc/77/04/98/344770498.db2.gz BBDFAQNQSPZBMQ-UHFFFAOYSA-N -1 3 191.259 1.809 10 0 ADAEHM Cc1nc2ccc(N)cc2c(=S)[n-]1 235954010 344770513 /nfs/dbraw/zinc/77/05/13/344770513.db2.gz TWLNZWBCISEIGV-UHFFFAOYSA-N -1 3 191.259 1.809 10 0 ADAEHM Cc1nccnc1-c1coc(=S)[n-]1 235834820 344768555 /nfs/dbraw/zinc/76/85/55/344768555.db2.gz KJKRUPDGUCXHMW-UHFFFAOYSA-N -1 3 193.231 1.729 10 0 ADAEHM O=C([N-]Cc1cncs1)C(F)F 236137171 344775350 /nfs/dbraw/zinc/77/53/50/344775350.db2.gz WAIWBWNAQIMDHS-UHFFFAOYSA-N -1 3 192.190 1.024 10 0 ADAEHM COc1cc(F)c2occ([O-])c2c1 238363394 344803219 /nfs/dbraw/zinc/80/32/19/344803219.db2.gz JWIXQTMLXBRQCU-UHFFFAOYSA-N -1 3 182.150 1.409 10 0 ADAEHM COCOc1cccc(C=O)c1[O-] 238359912 344803237 /nfs/dbraw/zinc/80/32/37/344803237.db2.gz AROKCHMBZGMCDH-UHFFFAOYSA-N -1 3 182.175 1.187 10 0 ADAEHM COC(=O)Cc1c([O-])cccc1F 238382995 344804272 /nfs/dbraw/zinc/80/42/72/344804272.db2.gz UAQRIUTYDSLSLU-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM COc1ccc(=O)[n-]c1Cl 238383483 344804275 /nfs/dbraw/zinc/80/42/75/344804275.db2.gz CIPKUSOMQDZINY-UHFFFAOYSA-N -1 3 159.572 1.449 10 0 ADAEHM COc1cc(Cl)cc(=O)[n-]1 238418193 344806114 /nfs/dbraw/zinc/80/61/14/344806114.db2.gz ZJFLGEPZDMLPBZ-UHFFFAOYSA-N -1 3 159.572 1.449 10 0 ADAEHM [O-]c1coc2cc(F)c(F)cc12 238542657 344812022 /nfs/dbraw/zinc/81/20/22/344812022.db2.gz RNJFWXLONCRBQW-UHFFFAOYSA-N -1 3 170.114 1.540 10 0 ADAEHM Cc1c([O-])cncc1OC(F)(F)F 238545338 344812143 /nfs/dbraw/zinc/81/21/43/344812143.db2.gz ZSBFUDRAKAPFNC-UHFFFAOYSA-N -1 3 193.124 1.994 10 0 ADAEHM N[C@@H](CF)c1ccccc1C(=O)[O-] 238575236 344813815 /nfs/dbraw/zinc/81/38/15/344813815.db2.gz BVSYADDXDLRRLY-QMMMGPOBSA-N -1 3 183.182 1.354 10 0 ADAEHM NC(=S)Nc1ccc(F)c([O-])c1 238577907 344814375 /nfs/dbraw/zinc/81/43/75/344814375.db2.gz PDPHPWSVXXJFNI-UHFFFAOYSA-N -1 3 186.211 1.187 10 0 ADAEHM Nc1cc(Cl)cc2c([O-])coc12 238672315 344818081 /nfs/dbraw/zinc/81/80/81/344818081.db2.gz KTGFRLLOLFNPJN-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM O=c1cc([O-])[nH]c(OC(F)(F)F)c1 238706754 344820607 /nfs/dbraw/zinc/82/06/07/344820607.db2.gz ZSPPHIHGLYMCME-UHFFFAOYSA-N -1 3 195.096 1.391 10 0 ADAEHM O=c1cc([O-])cc(OC(F)(F)F)[nH]1 238706754 344820608 /nfs/dbraw/zinc/82/06/08/344820608.db2.gz ZSPPHIHGLYMCME-UHFFFAOYSA-N -1 3 195.096 1.391 10 0 ADAEHM N[C@H](CF)c1ccc(C(=O)[O-])cc1 238684649 344819008 /nfs/dbraw/zinc/81/90/08/344819008.db2.gz YXLZAEXPSKMOFT-MRVPVSSYSA-N -1 3 183.182 1.354 10 0 ADAEHM CC[C@H](C)c1cc(=O)[nH][n-]1 306193479 345083573 /nfs/dbraw/zinc/08/35/73/345083573.db2.gz LKBJEKGEVTVMPA-YFKPBYRVSA-N -1 3 140.186 1.629 10 0 ADAEHM CCSc1n[n-]c([C@H]2CCCO2)n1 306438075 345298242 /nfs/dbraw/zinc/29/82/42/345298242.db2.gz MGFHXOADUGUOPX-ZCFIWIBFSA-N -1 3 199.279 1.768 10 0 ADAEHM Cc1cc([O-])ccc1C(=O)N1CC1 306424167 345281170 /nfs/dbraw/zinc/28/11/70/345281170.db2.gz FYAGRDJZVRQNLM-UHFFFAOYSA-N -1 3 177.203 1.156 10 0 ADAEHM CCSc1n[n-]c([C@@H]2CCCO2)n1 306438073 345298299 /nfs/dbraw/zinc/29/82/99/345298299.db2.gz MGFHXOADUGUOPX-LURJTMIESA-N -1 3 199.279 1.768 10 0 ADAEHM CO[N-]C(=O)[C@H]1C=CCCC1 306471563 345334592 /nfs/dbraw/zinc/33/45/92/345334592.db2.gz ZITXPJDYGCIATI-ZETCQYMHSA-N -1 3 155.197 1.020 10 0 ADAEHM [O-]c1cc(Cl)ccc1C1=NCCN1 306537578 345410556 /nfs/dbraw/zinc/41/05/56/345410556.db2.gz OCLOXMDGXJONNM-UHFFFAOYSA-N -1 3 196.637 1.395 10 0 ADAEHM [O-]c1cncc(-c2ccns2)c1 306585115 345461996 /nfs/dbraw/zinc/46/19/96/345461996.db2.gz SJLCGHBUVYGXAL-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM COC(=O)Nc1cccc([O-])c1F 306603811 345479627 /nfs/dbraw/zinc/47/96/27/345479627.db2.gz NBQOVCNJXCXZGG-UHFFFAOYSA-N -1 3 185.154 1.710 10 0 ADAEHM [O-]c1cncc(-c2cscn2)c1 306751175 345591761 /nfs/dbraw/zinc/59/17/61/345591761.db2.gz NFJYCXKUZRBZOV-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM Cc1ccc([O-])c(CN2CCC2)n1 306764326 345599816 /nfs/dbraw/zinc/59/98/16/345599816.db2.gz VKFZOAFWWQODGO-UHFFFAOYSA-N -1 3 178.235 1.301 10 0 ADAEHM Nc1cc(Cl)c(F)c(F)c1[O-] 306830142 345644090 /nfs/dbraw/zinc/64/40/90/345644090.db2.gz IRWWGORDINSLNZ-UHFFFAOYSA-N -1 3 179.553 1.906 10 0 ADAEHM CCn1ncnc1-c1ccccc1[O-] 306815687 345632351 /nfs/dbraw/zinc/63/23/51/345632351.db2.gz CZOQKLNZNSYHEE-UHFFFAOYSA-N -1 3 189.218 1.671 10 0 ADAEHM O=c1cc(C2=CCCC2)nc[n-]1 306815662 345632356 /nfs/dbraw/zinc/63/23/56/345632356.db2.gz BNYZEZZMVULSIV-UHFFFAOYSA-N -1 3 162.192 1.750 10 0 ADAEHM CC1(C)C[C@H]1c1cc(=O)[nH][n-]1 306843536 345652179 /nfs/dbraw/zinc/65/21/79/345652179.db2.gz DCDQEOCTMSBCQZ-YFKPBYRVSA-N -1 3 152.197 1.629 10 0 ADAEHM Cn1nc([C@@]2(C)C[C@H]2F)[n-]c1=S 306956685 345718194 /nfs/dbraw/zinc/71/81/94/345718194.db2.gz RXBYQGWAKAGEJM-FBCQKBJTSA-N -1 3 187.243 1.103 10 0 ADAEHM Fc1cccc(=S)[n-]1 307020895 345758787 /nfs/dbraw/zinc/75/87/87/345758787.db2.gz BQUKKPBQUMEHDR-UHFFFAOYSA-N -1 3 129.159 1.509 10 0 ADAEHM Cc1ccc2c([O-])coc2c1N 307296544 345953600 /nfs/dbraw/zinc/95/36/00/345953600.db2.gz QYJTWDPKJMPIQL-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM CC[C@@H]1CCN(c2nc([O-])cs2)C1 307312048 345963753 /nfs/dbraw/zinc/96/37/53/345963753.db2.gz GFQCBGOQEMSLPO-SSDOTTSWSA-N -1 3 198.291 1.348 10 0 ADAEHM CC[C@H]1CCN(c2nc([O-])cs2)C1 307312056 345963784 /nfs/dbraw/zinc/96/37/84/345963784.db2.gz GFQCBGOQEMSLPO-ZETCQYMHSA-N -1 3 198.291 1.348 10 0 ADAEHM Cc1nc(-c2n[n-]c(=O)s2)cs1 307413960 346028680 /nfs/dbraw/zinc/02/86/80/346028680.db2.gz JGMMQKHFZWVLBO-UHFFFAOYSA-N -1 3 199.260 1.263 10 0 ADAEHM CCNC(=O)c1cc(C)cc([O-])c1 307464593 346056447 /nfs/dbraw/zinc/05/64/47/346056447.db2.gz HAZNXNNOLWQXLI-UHFFFAOYSA-N -1 3 179.219 1.450 10 0 ADAEHM O=C([O-])/C=C/CN1CC2(CCC2)C1 307496870 346075201 /nfs/dbraw/zinc/07/52/01/346075201.db2.gz JNDHINVPASTOPK-HNQUOIGGSA-N -1 3 181.235 1.113 10 0 ADAEHM Cc1nc(NCCCF)cc(=O)[n-]1 307504033 346078988 /nfs/dbraw/zinc/07/89/88/346078988.db2.gz XSLDDFBHSGBIIO-UHFFFAOYSA-N -1 3 185.202 1.262 10 0 ADAEHM Cc1nc(N[C@H]2CC[C@@H]2C)cc(=O)[n-]1 307561765 346113918 /nfs/dbraw/zinc/11/39/18/346113918.db2.gz YYTACIVAKUIGRA-XPUUQOCRSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1cc(-c2cc(=O)[n-]cn2)sn1 307596229 346136373 /nfs/dbraw/zinc/13/63/73/346136373.db2.gz MARSCDDQOJQOBN-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM O=c1cc(-c2ccns2)nc[n-]1 307706543 346194691 /nfs/dbraw/zinc/19/46/91/346194691.db2.gz XOUQEZYXPKUWIW-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM C[C@@H]1CN(C)CC/C1=C(/F)C(=O)[O-] 383027526 346536829 /nfs/dbraw/zinc/53/68/29/346536829.db2.gz KDBVLLRNOZOTNW-VALLEEFXSA-N -1 3 187.214 1.266 10 0 ADAEHM [O-]c1ccc([C@H]2NCCS2)c(F)c1 404144707 346640147 /nfs/dbraw/zinc/64/01/47/346640147.db2.gz NUTOCSMTJISHLP-VIFPVBQESA-N -1 3 199.250 1.866 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2CCSC2)n1 405086136 346657087 /nfs/dbraw/zinc/65/70/87/346657087.db2.gz NRBFGCNUVHONMK-SSDOTTSWSA-N -1 3 196.275 1.711 10 0 ADAEHM O=c1ccnc(C2CSC2)[n-]1 405131096 346658292 /nfs/dbraw/zinc/65/82/92/346658292.db2.gz DRDBOJXSYRTVHJ-UHFFFAOYSA-N -1 3 168.221 1.013 10 0 ADAEHM CC=CCNC(=O)c1csc(=O)[n-]1 629036620 347330308 /nfs/dbraw/zinc/33/03/08/347330308.db2.gz WOMCTYIQHKARIB-NSCUHMNNSA-N -1 3 198.247 1.155 10 0 ADAEHM C[C@@H]1CCc2[n-]n(C3CC3)c(=O)c21 634618132 347421891 /nfs/dbraw/zinc/42/18/91/347421891.db2.gz HPVUMKWFVZJXRF-HZGVNTEJSA-N -1 3 178.235 1.393 10 0 ADAEHM CCO[C@@H]1OCc2cnc(C)c([O-])c21 5139851 351339972 /nfs/dbraw/zinc/33/99/72/351339972.db2.gz XLKAWBFBIIYKMX-SNVBAGLBSA-N -1 3 195.218 1.661 10 0 ADAEHM O=Cc1ccc2cc[nH]c2c1[O-] 82405215 351637209 /nfs/dbraw/zinc/63/72/09/351637209.db2.gz FUTTXRPXEXENFW-UHFFFAOYSA-N -1 3 161.160 1.686 10 0 ADAEHM CN1C/C(=C(\F)C(=O)[O-])CC1(C)C 575478442 352295513 /nfs/dbraw/zinc/29/55/13/352295513.db2.gz GARJWQYWMIAIBQ-SREVYHEPSA-N -1 3 187.214 1.409 10 0 ADAEHM O=c1ccnc(C[C@H]2CC2(F)F)[n-]1 575462730 352252975 /nfs/dbraw/zinc/25/29/75/352252975.db2.gz FBTSZKQJEBSMGK-YFKPBYRVSA-N -1 3 186.161 1.380 10 0 ADAEHM C[C@H]1C[C@@]1(C)c1n[n-]c(=O)o1 575552086 352644527 /nfs/dbraw/zinc/64/45/27/352644527.db2.gz NXJFDMBEJTZTNQ-MHTLYPKNSA-N -1 3 154.169 1.073 10 0 ADAEHM C[C@@H](n1c(=O)[n-][nH]c1=S)C1(C)CC1 575587319 352811699 /nfs/dbraw/zinc/81/16/99/352811699.db2.gz NYDZKWMSOWVMBE-RXMQYKEDSA-N -1 3 199.279 1.634 10 0 ADAEHM CCOc1ccc(C#N)c([O-])c1CO 575643039 352870864 /nfs/dbraw/zinc/87/08/64/352870864.db2.gz BZIFRMUVAWEJEM-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc(CO)c(C#N)cc1[O-] 575642968 352870888 /nfs/dbraw/zinc/87/08/88/352870888.db2.gz BKKPJNVLZQLZST-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM N#Cc1ccc(CO)c([O-])c1C(F)F 575643021 352870890 /nfs/dbraw/zinc/87/08/90/352870890.db2.gz LTFOEGHWEURHNR-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM N#Cc1cc(C(F)F)cc([O-])c1CO 575642586 352870892 /nfs/dbraw/zinc/87/08/92/352870892.db2.gz DTHHDAVRDCQZBX-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM CCOc1cc([O-])c(OC)c(C#N)c1 575643252 352871730 /nfs/dbraw/zinc/87/17/30/352871730.db2.gz DVHNAGNPXTVUON-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1cc(C#N)cc(CO)c1[O-] 575643579 352871736 /nfs/dbraw/zinc/87/17/36/352871736.db2.gz HQIHRPRNJSHQJJ-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc(OC)cc([O-])c1C#N 575643368 352871772 /nfs/dbraw/zinc/87/17/72/352871772.db2.gz FLLPFXRNVPZVRS-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM COC(=O)c1ccc(F)c([O-])c1C 575713587 352892559 /nfs/dbraw/zinc/89/25/59/352892559.db2.gz DIHYUXVMUBNNIM-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM Nc1cc(Cl)cc([O-])c1F 575722770 352902630 /nfs/dbraw/zinc/90/26/30/352902630.db2.gz SZUGCVVRPAWNSC-UHFFFAOYSA-N -1 3 161.563 1.767 10 0 ADAEHM C[C@@H]1CC(=O)c2c([O-])cccc2[C@H]1O 13459886 290738479 /nfs/dbraw/zinc/73/84/79/290738479.db2.gz YUPNHTWYVBHLMG-KBUNVGBDSA-N -1 3 192.214 1.648 10 0 biogenic,in-vitro ADAEHM C[C@@H]1OC(=O)c2ccc([O-])cc21 6499645 325597120 /nfs/dbraw/zinc/59/71/20/325597120.db2.gz UGYVIWWRYUQKJF-YFKPBYRVSA-N -1 3 164.160 1.624 10 0 ADAEHM C[C@H]1OC(=O)c2ccc([O-])cc21 6490981 325597128 /nfs/dbraw/zinc/59/71/28/325597128.db2.gz UGYVIWWRYUQKJF-RXMQYKEDSA-N -1 3 164.160 1.624 10 0 ADAEHM Cc1cc([C@H](N)C(=O)[O-])c(C)s1 28296 342924044 /nfs/dbraw/zinc/92/40/44/342924044.db2.gz BNKQHLFXHVXCPS-ZETCQYMHSA-N -1 3 185.248 1.449 10 0 ADAEHM Cc1cc([C@@H](N)C(=O)[O-])c(C)s1 28297 342924295 /nfs/dbraw/zinc/92/42/95/342924295.db2.gz BNKQHLFXHVXCPS-SSDOTTSWSA-N -1 3 185.248 1.449 10 0 ADAEHM Cc1ccc(-c2nnn[n-]2)cc1Cl 89812 342926419 /nfs/dbraw/zinc/92/64/19/342926419.db2.gz DGSPJIDNXYCCEN-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1ccc(-c2nn[n-]n2)cc1Cl 89812 342926420 /nfs/dbraw/zinc/92/64/20/342926420.db2.gz DGSPJIDNXYCCEN-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM CC(C)Sc1n[n-]c(=S)n1C 131836 342927810 /nfs/dbraw/zinc/92/78/10/342927810.db2.gz MFGGCHGERZJVHG-UHFFFAOYSA-N -1 3 189.309 1.604 10 0 ADAEHM CCc1ccc([C@@](C)(N)C(=O)[O-])cc1 3677062 342983146 /nfs/dbraw/zinc/98/31/46/342983146.db2.gz SDMDGDZPWMOOEH-LLVKDONJSA-N -1 3 193.246 1.508 10 0 ADAEHM CCc1ccc([C@](C)(N)C(=O)[O-])cc1 3677061 342983190 /nfs/dbraw/zinc/98/31/90/342983190.db2.gz SDMDGDZPWMOOEH-NSHDSACASA-N -1 3 193.246 1.508 10 0 ADAEHM Cc1ccc([C@@](C)(N)C(=O)[O-])c(C)c1 3677080 342983398 /nfs/dbraw/zinc/98/33/98/342983398.db2.gz HPPJNTFVYMJGCX-LLVKDONJSA-N -1 3 193.246 1.562 10 0 ADAEHM Cc1ccc([C@](C)(N)C(=O)[O-])c(C)c1 3677079 342983442 /nfs/dbraw/zinc/98/34/42/342983442.db2.gz HPPJNTFVYMJGCX-NSHDSACASA-N -1 3 193.246 1.562 10 0 ADAEHM COC(=O)[C@@H]([S-])c1ccccc1 5248380 343000403 /nfs/dbraw/zinc/00/04/03/343000403.db2.gz UOHSSXCRSOEERZ-QMMMGPOBSA-N -1 3 182.244 1.831 10 0 ADAEHM Cc1cc([O-])ccc1[S@](C)=O 5362230 343001428 /nfs/dbraw/zinc/00/14/28/343001428.db2.gz YFQBELWMXKXATM-LLVKDONJSA-N -1 3 170.233 1.438 10 0 ADAEHM Cc1cc([O-])ccc1[S@@](C)=O 5362233 343001554 /nfs/dbraw/zinc/00/15/54/343001554.db2.gz YFQBELWMXKXATM-NSHDSACASA-N -1 3 170.233 1.438 10 0 ADAEHM Cc1nc(C)c(CCC(C)C)c(=O)[n-]1 5818091 343008470 /nfs/dbraw/zinc/00/84/70/343008470.db2.gz OAVVLQKLTJGEBC-UHFFFAOYSA-N -1 3 194.278 1.975 10 0 ADAEHM Cc1ccc(NC(N)=O)c([O-])c1 6070627 343012317 /nfs/dbraw/zinc/01/23/17/343012317.db2.gz RDWSVHLVSMKYOC-UHFFFAOYSA-N -1 3 166.180 1.191 10 0 ADAEHM COc1cc(C)c(C=O)c([O-])c1C 13484858 343035358 /nfs/dbraw/zinc/03/53/58/343035358.db2.gz KDUUURSYZCGUBI-UHFFFAOYSA-N -1 3 180.203 1.830 10 0 ADAEHM Cc1c[n-]c(Cl)c(F)c1=O 15684443 343042553 /nfs/dbraw/zinc/04/25/53/343042553.db2.gz CCAQQIAYNHUSKZ-UHFFFAOYSA-N -1 3 161.563 1.888 10 0 ADAEHM CC(C)N(C)C(=O)c1cccc([O-])c1 19837631 343061779 /nfs/dbraw/zinc/06/17/79/343061779.db2.gz QOSZMOGYHZPIOU-UHFFFAOYSA-N -1 3 193.246 1.873 10 0 ADAEHM Cc1cccc2c(=O)cn[n-]c12 19909413 343064055 /nfs/dbraw/zinc/06/40/55/343064055.db2.gz HPVCIMPQPYHDPM-UHFFFAOYSA-N -1 3 160.176 1.232 10 0 ADAEHM Cc1cc(=O)[n-]n1-c1ccccc1N 21988842 343077259 /nfs/dbraw/zinc/07/72/59/343077259.db2.gz ZYYFFDQAAXDVJF-UHFFFAOYSA-N -1 3 189.218 1.056 10 0 ADAEHM C[C@H](N)c1ccc(C(=O)[O-])s1 22862518 343082461 /nfs/dbraw/zinc/08/24/61/343082461.db2.gz PZSVHZMRCSAKTF-BYPYZUCNSA-N -1 3 171.221 1.466 10 0 ADAEHM NN=c1[n-]oc2ccccc12 24327942 343085984 /nfs/dbraw/zinc/08/59/84/343085984.db2.gz UEKBLJFFBJIMBT-UHFFFAOYSA-N -1 3 149.153 1.113 10 0 ADAEHM Cc1cc(-c2n[n-]c(=S)o2)no1 26548865 343090324 /nfs/dbraw/zinc/09/03/24/343090324.db2.gz QUKBDFDIMGLSME-UHFFFAOYSA-N -1 3 183.192 1.322 10 0 ADAEHM Cc1cc([O-])c2c(=O)ccc(O)c-2o1 27216203 343091071 /nfs/dbraw/zinc/09/10/71/343091071.db2.gz DZNDULZELVTJGJ-UHFFFAOYSA-N -1 3 192.170 1.513 10 0 ADAEHM Cc1cc(=O)c2c([O-])ccc(O)c2o1 27216203 343091072 /nfs/dbraw/zinc/09/10/72/343091072.db2.gz DZNDULZELVTJGJ-UHFFFAOYSA-N -1 3 192.170 1.513 10 0 ADAEHM CC(C)Cc1cc(=O)[nH][n-]1 32152612 343098593 /nfs/dbraw/zinc/09/85/93/343098593.db2.gz WSAUOTVMPMIWCC-UHFFFAOYSA-N -1 3 140.186 1.314 10 0 ADAEHM Cc1ccc2c([O-])c(C)oc2c1 32201436 343100490 /nfs/dbraw/zinc/10/04/90/343100490.db2.gz OZVDQWXERFPFRK-SSDOTTSWSA-N -1 3 162.188 1.959 10 0 ADAEHM Cc1ccc2occ([O-])c2c1C 32201522 343100601 /nfs/dbraw/zinc/10/06/01/343100601.db2.gz FCKHTTQGWLMBQC-UHFFFAOYSA-N -1 3 162.188 1.879 10 0 ADAEHM Cc1ccc2c([O-])coc2c1C 32201533 343100623 /nfs/dbraw/zinc/10/06/23/343100623.db2.gz WUYQXYWMHIBXMH-UHFFFAOYSA-N -1 3 162.188 1.879 10 0 ADAEHM Cc1c2ccccc2nn1[O-] 32224655 343101696 /nfs/dbraw/zinc/10/16/96/343101696.db2.gz ZLEHYIXNWGDLGT-UHFFFAOYSA-N -1 3 148.165 1.582 10 0 ADAEHM CN(C)C(=O)Nc1ccccc1[O-] 33607434 343105605 /nfs/dbraw/zinc/10/56/05/343105605.db2.gz VYKYSTWKUAETPR-UHFFFAOYSA-N -1 3 180.207 1.486 10 0 ADAEHM CCCCCCN1CC(=O)[N-]C1=O 33608864 343105709 /nfs/dbraw/zinc/10/57/09/343105709.db2.gz HFSWPCFMUVLFTM-UHFFFAOYSA-N -1 3 184.239 1.119 10 0 ADAEHM CCCCc1cnc[n-]c1=O 33639366 343105793 /nfs/dbraw/zinc/10/57/93/343105793.db2.gz XDCIBZVFAIWWIE-UHFFFAOYSA-N -1 3 152.197 1.113 10 0 ADAEHM CC[N-]C(=S)OCC(C)C 33650257 343106285 /nfs/dbraw/zinc/10/62/85/343106285.db2.gz HMZPXZFXOANPHS-UHFFFAOYSA-N -1 3 161.270 1.553 10 0 ADAEHM C[C@H]1CCc2[nH]c(=S)[n-]c(=O)c2C1 33846856 343107264 /nfs/dbraw/zinc/10/72/64/343107264.db2.gz LFVRHWGTTCUCFJ-YFKPBYRVSA-N -1 3 196.275 1.557 10 0 ADAEHM Cc1ccc(C)c2c(=O)cn[n-]c12 34127468 343111308 /nfs/dbraw/zinc/11/13/08/343111308.db2.gz PRVWVTTZUXPCHL-UHFFFAOYSA-N -1 3 174.203 1.540 10 0 ADAEHM Cc1c[nH]c(=O)c2cccc([O-])c12 34402140 343118310 /nfs/dbraw/zinc/11/83/10/343118310.db2.gz ZNUDLARDNZVHQN-UHFFFAOYSA-N -1 3 175.187 1.542 10 0 ADAEHM COc1ccc2c([O-])cccc2n1 34410751 343118556 /nfs/dbraw/zinc/11/85/56/343118556.db2.gz RGXFYFFIUBRFBR-UHFFFAOYSA-N -1 3 175.187 1.949 10 0 ADAEHM Cc1nc2onc(C)c2c(=S)[n-]1 34469661 343119679 /nfs/dbraw/zinc/11/96/79/343119679.db2.gz JWOOSBOEKDLPJP-UHFFFAOYSA-N -1 3 181.220 1.523 10 0 ADAEHM Cc1ccc(NC=O)c([O-])c1 34498010 343120494 /nfs/dbraw/zinc/12/04/94/343120494.db2.gz IJHPTJQJMQFARI-UHFFFAOYSA-N -1 3 151.165 1.269 10 0 ADAEHM CCCCc1nc(C)c(CC)c(=O)[n-]1 34502257 343120728 /nfs/dbraw/zinc/12/07/28/343120728.db2.gz APDMVECBJSYFER-UHFFFAOYSA-N -1 3 194.278 1.983 10 0 ADAEHM COc1cc([O-])c(C=O)cc1SC 34546083 343121402 /nfs/dbraw/zinc/12/14/02/343121402.db2.gz GRTITYMAZBWHHC-UHFFFAOYSA-N -1 3 198.243 1.935 10 0 ADAEHM CN(C)C(=O)N([O-])c1ccccc1 34612241 343123455 /nfs/dbraw/zinc/12/34/55/343123455.db2.gz KAUUBCICPFZMML-UHFFFAOYSA-N -1 3 180.207 1.564 10 0 ADAEHM CCCCc1nc(C)c(C)c(=O)[n-]1 35287891 343131774 /nfs/dbraw/zinc/13/17/74/343131774.db2.gz MBWBVSYBENVYKI-UHFFFAOYSA-N -1 3 180.251 1.729 10 0 ADAEHM CCCCc1nc([O-])c(C)c(=O)[nH]1 35287871 343131885 /nfs/dbraw/zinc/13/18/85/343131885.db2.gz VEGAZKPNKFWIGN-UHFFFAOYSA-N -1 3 182.223 1.127 10 0 ADAEHM Cc1nc2cc([O-])c(N)cc2s1 35343005 343132157 /nfs/dbraw/zinc/13/21/57/343132157.db2.gz ZBOCNVCHRVGKIP-UHFFFAOYSA-N -1 3 180.232 1.893 10 0 ADAEHM CCc1cccc2c([O-])coc12 35652515 343135723 /nfs/dbraw/zinc/13/57/23/343135723.db2.gz ANAXUJNUSSFWNZ-UHFFFAOYSA-N -1 3 162.188 1.824 10 0 ADAEHM C[C@H](CC(=O)[O-])NCc1ccccn1 35748422 343138312 /nfs/dbraw/zinc/13/83/12/343138312.db2.gz ASARPRKPTVDYIV-MRVPVSSYSA-N -1 3 194.234 1.034 10 0 ADAEHM CCc1cc(=O)[n-]c(C(C)(C)C)n1 36755148 343149077 /nfs/dbraw/zinc/14/90/77/343149077.db2.gz DYPXCAYAYXVVED-UHFFFAOYSA-N -1 3 180.251 1.630 10 0 ADAEHM CN(C(=O)c1ccc([O-])cc1)C1CC1 37081399 343158515 /nfs/dbraw/zinc/15/85/15/343158515.db2.gz BONNUJPQTCFDTC-UHFFFAOYSA-N -1 3 191.230 1.627 10 0 ADAEHM CN(C(=O)c1cccc([O-])c1)C1CC1 37081411 343158756 /nfs/dbraw/zinc/15/87/56/343158756.db2.gz JKGRSAFMDZRXRC-UHFFFAOYSA-N -1 3 191.230 1.627 10 0 ADAEHM CN(C)[C@H](C(=O)[O-])c1cccc(O)c1 37358424 343166621 /nfs/dbraw/zinc/16/66/21/343166621.db2.gz CHJYHMOTGAUTEO-VIFPVBQESA-N -1 3 195.218 1.080 10 0 ADAEHM Cc1cc(=O)[n-]c(CC(C)C)n1 37409012 343168334 /nfs/dbraw/zinc/16/83/34/343168334.db2.gz QNSWDVVJKFSHSE-UHFFFAOYSA-N -1 3 166.224 1.277 10 0 ADAEHM CC(C)[C@@H]1N[C@H](C(=O)[O-])CCS1 37737183 343177188 /nfs/dbraw/zinc/17/71/88/343177188.db2.gz NALXZATTWZLJIH-NKWVEPMBSA-N -1 3 189.280 1.148 10 0 ADAEHM CC(C)[C@H]1N[C@@H](C(=O)[O-])CCS1 37737186 343177116 /nfs/dbraw/zinc/17/71/16/343177116.db2.gz NALXZATTWZLJIH-RQJHMYQMSA-N -1 3 189.280 1.148 10 0 ADAEHM CC(C)[C@@H]1N[C@@H](C(=O)[O-])CCS1 37737185 343177124 /nfs/dbraw/zinc/17/71/24/343177124.db2.gz NALXZATTWZLJIH-RNFRBKRXSA-N -1 3 189.280 1.148 10 0 ADAEHM CC(C)[C@H]1N[C@H](C(=O)[O-])CCS1 37737184 343177168 /nfs/dbraw/zinc/17/71/68/343177168.db2.gz NALXZATTWZLJIH-BQBZGAKWSA-N -1 3 189.280 1.148 10 0 ADAEHM Cc1nc(CC(C)C)[n-]c(=O)c1C 37947657 343182481 /nfs/dbraw/zinc/18/24/81/343182481.db2.gz FMYUNQQNPKFYRK-UHFFFAOYSA-N -1 3 180.251 1.585 10 0 ADAEHM Cc1cc(C)c(C(=O)[O-])c(N(C)C)n1 37978220 343183081 /nfs/dbraw/zinc/18/30/81/343183081.db2.gz CMGJKDFRAMBXAH-UHFFFAOYSA-N -1 3 194.234 1.463 10 0 ADAEHM CCc1c(C)nc(C(C)C)[n-]c1=O 38003905 343183111 /nfs/dbraw/zinc/18/31/11/343183111.db2.gz XRGUVFADPVCFSO-UHFFFAOYSA-N -1 3 180.251 1.764 10 0 ADAEHM CCc1c(C)nc(CC(C)C)[n-]c1=O 38003904 343183159 /nfs/dbraw/zinc/18/31/59/343183159.db2.gz DFEGMYQCYLWPAU-UHFFFAOYSA-N -1 3 194.278 1.839 10 0 ADAEHM [O-]c1ccccc1C1OCCCO1 38282432 343186568 /nfs/dbraw/zinc/18/65/68/343186568.db2.gz WAIBHMASQDAOFP-UHFFFAOYSA-N -1 3 180.203 1.828 10 0 ADAEHM NNc1ccc(Cl)c([O-])c1 38338410 343187442 /nfs/dbraw/zinc/18/74/42/343187442.db2.gz GTLCZMKAYVCSNJ-UHFFFAOYSA-N -1 3 158.588 1.331 10 0 in-vitro ADAEHM COc1cccc(NC(=O)N[O-])c1 38523385 343188718 /nfs/dbraw/zinc/18/87/18/343188718.db2.gz SQTWOPXYZFUIIB-UHFFFAOYSA-N -1 3 182.179 1.206 10 0 ADAEHM CCOC(=O)CCc1ncccc1[O-] 39018204 343192880 /nfs/dbraw/zinc/19/28/80/343192880.db2.gz YYQIPQVKWQEMIY-UHFFFAOYSA-N -1 3 195.218 1.283 10 0 ADAEHM Cc1ccc2c(=O)[n-]oc2n1 39051111 343193719 /nfs/dbraw/zinc/19/37/19/343193719.db2.gz RWYSKNAYUGRVTM-UHFFFAOYSA-N -1 3 150.137 1.237 10 0 ADAEHM Cc1oc2cnccc2c1[O-] 39051968 343194095 /nfs/dbraw/zinc/19/40/95/343194095.db2.gz OZQXPHITVRUPFZ-RXMQYKEDSA-N -1 3 149.149 1.045 10 0 ADAEHM CC1(c2ncc([O-])cn2)CC1 39052866 343194128 /nfs/dbraw/zinc/19/41/28/343194128.db2.gz ZENRVVIKUGMLAT-UHFFFAOYSA-N -1 3 150.181 1.234 10 0 ADAEHM CC(C)c1ncc([O-])cn1 39052978 343194369 /nfs/dbraw/zinc/19/43/69/343194369.db2.gz XCEXBOISODMPOG-UHFFFAOYSA-N -1 3 138.170 1.306 10 0 ADAEHM C[C@H](O)c1cccc(F)c1[O-] 39059732 343195224 /nfs/dbraw/zinc/19/52/24/343195224.db2.gz UUEPKPLTSBUURA-YFKPBYRVSA-N -1 3 156.156 1.585 10 0 ADAEHM Cc1nc2c([O-])cccn2c1O 39081930 343197070 /nfs/dbraw/zinc/19/70/70/343197070.db2.gz PVFHNJDDKLUENX-UHFFFAOYSA-N -1 3 164.164 1.054 10 0 ADAEHM C[C@H](O)c1ccc([O-])cc1F 39088686 343197828 /nfs/dbraw/zinc/19/78/28/343197828.db2.gz QCTBLRREIFDKIJ-YFKPBYRVSA-N -1 3 156.156 1.585 10 0 ADAEHM Cc1ccc2cc(O)cc([O-])c2n1 39111415 343199178 /nfs/dbraw/zinc/19/91/78/343199178.db2.gz DDVAYVHXXWYMQI-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM Cc1cc(C)c2c(=O)[n-]oc2n1 39113179 343199486 /nfs/dbraw/zinc/19/94/86/343199486.db2.gz HEPZCWMSVNVMEL-UHFFFAOYSA-N -1 3 164.164 1.545 10 0 ADAEHM Cc1cnc2c([O-])cccc2n1 39121591 343202546 /nfs/dbraw/zinc/20/25/46/343202546.db2.gz ISMGVCMJDUISJW-UHFFFAOYSA-N -1 3 160.176 1.644 10 0 ADAEHM Cc1c(N)ccc(Cl)c1[O-] 39125691 343202854 /nfs/dbraw/zinc/20/28/54/343202854.db2.gz AXQBFCIPQJXBJR-UHFFFAOYSA-N -1 3 157.600 1.936 10 0 ADAEHM CCCCCc1cc(=O)[nH][n-]1 39134132 343203399 /nfs/dbraw/zinc/20/33/99/343203399.db2.gz NTYRFIMFFTYLPI-UHFFFAOYSA-N -1 3 154.213 1.848 10 0 ADAEHM Cc1nc2cccc([O-])c2nc1C 39134331 343203772 /nfs/dbraw/zinc/20/37/72/343203772.db2.gz NHUNVOXWVPUSBS-UHFFFAOYSA-N -1 3 174.203 1.952 10 0 ADAEHM O=Cc1cnc2c([O-])cccc2n1 39134263 343203789 /nfs/dbraw/zinc/20/37/89/343203789.db2.gz IFBZBGAPZLWTSE-UHFFFAOYSA-N -1 3 174.159 1.148 10 0 ADAEHM CCc1cccc2occ([O-])c12 39136379 343203992 /nfs/dbraw/zinc/20/39/92/343203992.db2.gz DTNWPKGBTPWANV-UHFFFAOYSA-N -1 3 162.188 1.824 10 0 ADAEHM COc1ccc2c([O-])coc2c1Cl 39185700 343205504 /nfs/dbraw/zinc/20/55/04/343205504.db2.gz YWGVFIZFFVGEBX-UHFFFAOYSA-N -1 3 198.605 1.924 10 0 ADAEHM [O-]c1coc2cc3c(cc12)CCO3 39189094 343205588 /nfs/dbraw/zinc/20/55/88/343205588.db2.gz CCNOQNWIWPTNLX-UHFFFAOYSA-N -1 3 176.171 1.197 10 0 ADAEHM Cc1cc(=S)n(C)[n-]1 39222389 343206660 /nfs/dbraw/zinc/20/66/60/343206660.db2.gz SUXBWJNWSGEVFD-UHFFFAOYSA-N -1 3 128.200 1.017 10 0 ADAEHM Cc1cc(Cl)nc2c1C(=O)C(=O)[N-]2 39258527 343208623 /nfs/dbraw/zinc/20/86/23/343208623.db2.gz IQOTVAWWTIXNRX-UHFFFAOYSA-N -1 3 196.593 1.178 10 0 ADAEHM Cc1ncc(-c2ccccc2)c(=O)[n-]1 39264254 343208970 /nfs/dbraw/zinc/20/89/70/343208970.db2.gz AZFWPPPNTVZOIY-UHFFFAOYSA-N -1 3 186.214 1.745 10 0 ADAEHM CSc1ccc2occ([O-])c2c1 39369816 343211125 /nfs/dbraw/zinc/21/11/25/343211125.db2.gz GFPLENUCZQNTNE-UHFFFAOYSA-N -1 3 180.228 1.984 10 0 ADAEHM N[C@H](C(=O)[O-])C1(F)CCCCC1 39422820 343212555 /nfs/dbraw/zinc/21/25/55/343212555.db2.gz VCHADNWFTALLIL-ZCFIWIBFSA-N -1 3 175.203 1.071 10 0 ADAEHM COc1ccc2c(C)[n-]c(=O)nc2c1 39426371 343212671 /nfs/dbraw/zinc/21/26/71/343212671.db2.gz IUOLSQXLCXVPMZ-UHFFFAOYSA-N -1 3 190.202 1.240 10 0 ADAEHM N[C@@H](C(=O)[O-])C1(F)CCCCC1 39422821 343212727 /nfs/dbraw/zinc/21/27/27/343212727.db2.gz VCHADNWFTALLIL-LURJTMIESA-N -1 3 175.203 1.071 10 0 ADAEHM CC1=C([O-])C(C)(C)CC1=O 39618890 343213422 /nfs/dbraw/zinc/21/34/22/343213422.db2.gz RKXRGRSVQIUIGZ-RXMQYKEDSA-N -1 3 140.182 1.191 10 0 ADAEHM CC(C)c1nc2c(c(=O)[n-]1)CCC2 42401121 343241344 /nfs/dbraw/zinc/24/13/44/343241344.db2.gz PISMQSQVECMQCB-UHFFFAOYSA-N -1 3 178.235 1.382 10 0 ADAEHM CC(C)Cc1nc2c(c(=O)[n-]1)CCC2 42401118 343241412 /nfs/dbraw/zinc/24/14/12/343241412.db2.gz IBFYRGAAYOQFRA-UHFFFAOYSA-N -1 3 192.262 1.457 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)CCCC2 42404053 343241957 /nfs/dbraw/zinc/24/19/57/343241957.db2.gz BNXDHHMRVWEFGH-UHFFFAOYSA-N -1 3 178.235 1.211 10 0 ADAEHM COc1ccc(C)c2c1C(=O)C(=O)[N-]2 42689640 343248413 /nfs/dbraw/zinc/24/84/13/343248413.db2.gz VLMDFNAYKFPQJT-UHFFFAOYSA-N -1 3 191.186 1.138 10 0 in-vitro ADAEHM Cc1n[nH]c2cc(O)cc([O-])c12 43102921 343250552 /nfs/dbraw/zinc/25/05/52/343250552.db2.gz ARTORKHSEVGVJR-UHFFFAOYSA-N -1 3 164.164 1.283 10 0 ADAEHM Cc1ccc(-c2csc(=NN)[n-]2)o1 43560029 343255512 /nfs/dbraw/zinc/25/55/12/343255512.db2.gz OTLVFPTVAOZIHI-UHFFFAOYSA-N -1 3 195.247 1.997 10 0 ADAEHM Cc1nc(-c2cscn2)cc(=O)[n-]1 44119175 343260296 /nfs/dbraw/zinc/26/02/96/343260296.db2.gz DKDWLUSTSWVXRF-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM Cc1nc(-c2cncs2)cc(=O)[n-]1 44119196 343260532 /nfs/dbraw/zinc/26/05/32/343260532.db2.gz OJCAUMGDETVEST-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM CC(C)Nc1nc([O-])cs1 44176262 343261316 /nfs/dbraw/zinc/26/13/16/343261316.db2.gz OCFLJDCVEBKBKU-UHFFFAOYSA-N -1 3 158.226 1.669 10 0 ADAEHM CCNc1nc([O-])cs1 44176288 343261493 /nfs/dbraw/zinc/26/14/93/343261493.db2.gz LIOKXHWCXIQADB-UHFFFAOYSA-N -1 3 144.199 1.281 10 0 ADAEHM COc1cc([O-])cc2cc[nH]c12 44184743 343261761 /nfs/dbraw/zinc/26/17/61/343261761.db2.gz LLTKJHRWDANSHY-UHFFFAOYSA-N -1 3 163.176 1.882 10 0 ADAEHM [O-]c1ccc(C2OCCO2)cc1F 44227939 343262396 /nfs/dbraw/zinc/26/23/96/343262396.db2.gz OKCUAEOZVYLCCZ-UHFFFAOYSA-N -1 3 184.166 1.577 10 0 ADAEHM Cc1cc(=O)[n-]c(CCC(C)C)n1 44419176 343265339 /nfs/dbraw/zinc/26/53/39/343265339.db2.gz WFVOLXNANSRIHD-UHFFFAOYSA-N -1 3 180.251 1.667 10 0 ADAEHM COC(=O)c1c[n-]c2cncc(F)c12 44712907 343268271 /nfs/dbraw/zinc/26/82/71/343268271.db2.gz DEJYQJPKHRIYLB-UHFFFAOYSA-N -1 3 194.165 1.489 10 0 ADAEHM Nc1cc([O-])cc2scnc12 44713379 343268856 /nfs/dbraw/zinc/26/88/56/343268856.db2.gz KRHHLUPAEWWLRV-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM Cc1ccc(-c2cnnc(=O)[n-]2)cc1 44804377 343269251 /nfs/dbraw/zinc/26/92/51/343269251.db2.gz AJEPRWCZQTVDFN-UHFFFAOYSA-N -1 3 187.202 1.553 10 0 ADAEHM Cc1nc2c(N)c([O-])ccc2s1 45237137 343271726 /nfs/dbraw/zinc/27/17/26/343271726.db2.gz MRNSXCQOUJKCJR-UHFFFAOYSA-N -1 3 180.232 1.893 10 0 ADAEHM CCn1cnc2c([O-])ccc(O)c21 45238269 343271869 /nfs/dbraw/zinc/27/18/69/343271869.db2.gz SBOCZEAYNWOAJY-UHFFFAOYSA-N -1 3 178.191 1.467 10 0 ADAEHM CCc1nc2c([O-])ccc(O)c2[nH]1 45238266 343271957 /nfs/dbraw/zinc/27/19/57/343271957.db2.gz RENCHXTWURNDSF-UHFFFAOYSA-N -1 3 178.191 1.537 10 0 ADAEHM Cc1cc2cc(C=O)[n-]c2o1 45793461 343272057 /nfs/dbraw/zinc/27/20/57/343272057.db2.gz HYYKWWAXXFIZHM-UHFFFAOYSA-N -1 3 149.149 1.882 10 0 ADAEHM S=c1[n-]c2[nH]ccc2c(=S)[nH]1 48523998 343274460 /nfs/dbraw/zinc/27/44/60/343274460.db2.gz UMILDPVQRSKHPB-UHFFFAOYSA-N -1 3 183.261 1.909 10 0 ADAEHM Cn1ccnc1Oc1ccccc1[O-] 50607056 343285299 /nfs/dbraw/zinc/28/52/99/343285299.db2.gz CWPICRULIMHXJP-UHFFFAOYSA-N -1 3 190.202 1.918 10 0 ADAEHM CC(=O)[N-]C(=O)c1cccc(Cl)n1 51073987 343288196 /nfs/dbraw/zinc/28/81/96/343288196.db2.gz FJROGPXAWUDSOX-UHFFFAOYSA-N -1 3 198.609 1.011 10 0 ADAEHM Cc1ccc(C(N)=S)c([O-])c1 51598021 343290232 /nfs/dbraw/zinc/29/02/32/343290232.db2.gz VGJFDQZQGRSKIG-UHFFFAOYSA-N -1 3 167.233 1.335 10 0 ADAEHM CCc1ccccc1[C@H](N)C(=O)[O-] 52204256 343301724 /nfs/dbraw/zinc/30/17/24/343301724.db2.gz SECDHIOTYCLRES-VIFPVBQESA-N -1 3 179.219 1.333 10 0 ADAEHM CCc1ccccc1[C@@H](N)C(=O)[O-] 52204258 343301933 /nfs/dbraw/zinc/30/19/33/343301933.db2.gz SECDHIOTYCLRES-SECBINFHSA-N -1 3 179.219 1.333 10 0 ADAEHM O=c1ccn(CC2CC2)c(=S)[n-]1 52312486 343305575 /nfs/dbraw/zinc/30/55/75/343305575.db2.gz QDQURLCFNBAAMM-UHFFFAOYSA-N -1 3 182.248 1.316 10 0 ADAEHM Cc1cc(=S)n(-c2ccncc2)[n-]1 52305419 343305581 /nfs/dbraw/zinc/30/55/81/343305581.db2.gz HBCIOCWINMPROO-UHFFFAOYSA-N -1 3 191.259 1.864 10 0 ADAEHM CC[C@H](C)n1ccc(=O)[n-]c1=S 52312614 343305610 /nfs/dbraw/zinc/30/56/10/343305610.db2.gz BLAOVIBWWWVVBM-LURJTMIESA-N -1 3 184.264 1.877 10 0 ADAEHM O=c1ccn(CC2CCC2)c(=S)[n-]1 52312775 343305616 /nfs/dbraw/zinc/30/56/16/343305616.db2.gz PDGISXDMHVLEQD-UHFFFAOYSA-N -1 3 196.275 1.706 10 0 ADAEHM CC(C)CCn1ccc(=O)[n-]c1=S 52312529 343305625 /nfs/dbraw/zinc/30/56/25/343305625.db2.gz JWYUFQDIHDRRCR-UHFFFAOYSA-N -1 3 198.291 1.952 10 0 ADAEHM CC(C)(C)n1ccc(=O)[n-]c1=S 52312488 343305633 /nfs/dbraw/zinc/30/56/33/343305633.db2.gz YABUFDVILQFNSU-UHFFFAOYSA-N -1 3 184.264 1.661 10 0 ADAEHM CC(C)Cn1ccc(=O)[n-]c1=S 52312647 343305666 /nfs/dbraw/zinc/30/56/66/343305666.db2.gz AGOZADGVHXMUKR-UHFFFAOYSA-N -1 3 184.264 1.562 10 0 ADAEHM CCc1cc(=S)n(CC)[n-]1 52305658 343305679 /nfs/dbraw/zinc/30/56/79/343305679.db2.gz RDRRUHLTFIRFPO-UHFFFAOYSA-N -1 3 156.254 1.754 10 0 ADAEHM CCn1[n-]c(C)cc1=S 52305645 343305775 /nfs/dbraw/zinc/30/57/75/343305775.db2.gz XYYSENJAWZOJRS-UHFFFAOYSA-N -1 3 142.227 1.500 10 0 ADAEHM CCCn1[n-]c(C)cc1=S 52305669 343305790 /nfs/dbraw/zinc/30/57/90/343305790.db2.gz SBKVJXMUZIBHBW-UHFFFAOYSA-N -1 3 156.254 1.890 10 0 ADAEHM CCCc1cc(=S)n(C)[n-]1 52304940 343305816 /nfs/dbraw/zinc/30/58/16/343305816.db2.gz LTLRBXNYYAPXJO-UHFFFAOYSA-N -1 3 156.254 1.661 10 0 ADAEHM CCc1cc(=S)n(C)[n-]1 52304946 343305828 /nfs/dbraw/zinc/30/58/28/343305828.db2.gz CFBGRXXCOPQHMP-UHFFFAOYSA-N -1 3 142.227 1.271 10 0 ADAEHM C[C@@H](C1CC1)n1ccc(=O)[n-]c1=S 52312812 343305853 /nfs/dbraw/zinc/30/58/53/343305853.db2.gz UXWMKNYCQGKEGK-LURJTMIESA-N -1 3 196.275 1.877 10 0 ADAEHM C[C@H](C1CC1)n1ccc(=O)[n-]c1=S 52312814 343305884 /nfs/dbraw/zinc/30/58/84/343305884.db2.gz UXWMKNYCQGKEGK-ZCFIWIBFSA-N -1 3 196.275 1.877 10 0 ADAEHM O=c1ccn(C2CCC2)c(=S)[n-]1 52312981 343306117 /nfs/dbraw/zinc/30/61/17/343306117.db2.gz ILMBOVLZMCRLOV-UHFFFAOYSA-N -1 3 182.248 1.631 10 0 ADAEHM CC1(C)C[C@@H]1n1ccc(=O)[n-]c1=S 52313083 343306158 /nfs/dbraw/zinc/30/61/58/343306158.db2.gz DHGRXQIIXQFPKK-LURJTMIESA-N -1 3 196.275 1.877 10 0 ADAEHM C[C@H]1C[C@@H]1n1ccc(=O)[n-]c1=S 52312988 343306182 /nfs/dbraw/zinc/30/61/82/343306182.db2.gz IHJQMSCVTYSEML-WDSKDSINSA-N -1 3 182.248 1.487 10 0 ADAEHM C[C@@H]1C[C@H]1n1ccc(=O)[n-]c1=S 52312990 343306221 /nfs/dbraw/zinc/30/62/21/343306221.db2.gz IHJQMSCVTYSEML-PHDIDXHHSA-N -1 3 182.248 1.487 10 0 ADAEHM [O-]C(=CC(F)(F)F)c1cncnc1 52886712 343311676 /nfs/dbraw/zinc/31/16/76/343311676.db2.gz BSSVCQHPGKLIOT-UHFFFAOYSA-N -1 3 190.124 1.612 10 0 ADAEHM O=c1ccnc(Cc2cccs2)[n-]1 52899994 343311681 /nfs/dbraw/zinc/31/16/81/343311681.db2.gz ONEAKQNXUSJJBT-UHFFFAOYSA-N -1 3 192.243 1.422 10 0 ADAEHM NC(=S)c1c([O-])cccc1Cl 52908477 343311867 /nfs/dbraw/zinc/31/18/67/343311867.db2.gz IOBBSKUKQNAXBO-UHFFFAOYSA-N -1 3 187.651 1.680 10 0 ADAEHM CSCc1nc2c(c(=O)[n-]1)CCC2 54494271 343324974 /nfs/dbraw/zinc/32/49/74/343324974.db2.gz IWXLUDJVMNVXMW-UHFFFAOYSA-N -1 3 196.275 1.122 10 0 ADAEHM CCc1c(C)nc(CSC)[n-]c1=O 54494268 343325011 /nfs/dbraw/zinc/32/50/11/343325011.db2.gz XLHHWLYQLIELLC-UHFFFAOYSA-N -1 3 198.291 1.504 10 0 ADAEHM O=c1[n-]c2c(F)cc(F)cc2o1 54932555 343331952 /nfs/dbraw/zinc/33/19/52/343331952.db2.gz OZPHZGZNOKFGNC-UHFFFAOYSA-N -1 3 171.102 1.812 10 0 ADAEHM CC(C)Nc1nc(C(C)C)cc(=O)[n-]1 58824117 343341457 /nfs/dbraw/zinc/34/14/57/343341457.db2.gz BLMXINAWAOPSGJ-UHFFFAOYSA-N -1 3 195.266 1.714 10 0 ADAEHM Cc1ccc(-c2cnc[n-]c2=O)cc1 59071145 343341960 /nfs/dbraw/zinc/34/19/60/343341960.db2.gz SEIHGWIQBIUBGU-UHFFFAOYSA-N -1 3 186.214 1.745 10 0 ADAEHM Cc1ccc([O-])c(C=O)c1C 59049291 343341980 /nfs/dbraw/zinc/34/19/80/343341980.db2.gz QOPODVCTNOEUPT-UHFFFAOYSA-N -1 3 150.177 1.822 10 0 ADAEHM COCOc1cc(C)c(C=O)c([O-])c1 59203956 343342902 /nfs/dbraw/zinc/34/29/02/343342902.db2.gz GFPFKQAZEKHPKV-UHFFFAOYSA-N -1 3 196.202 1.496 10 0 ADAEHM Cc1nnc(-c2ccccc2[O-])o1 59443283 343344756 /nfs/dbraw/zinc/34/47/56/343344756.db2.gz GPRGHUPGKFOBKU-UHFFFAOYSA-N -1 3 176.175 1.751 10 0 ADAEHM C=Cc1cnc(C)c([O-])c1C(C)=O 59544929 343345814 /nfs/dbraw/zinc/34/58/14/343345814.db2.gz PZXKFCVBOUTNNM-UHFFFAOYSA-N -1 3 177.203 1.941 10 0 ADAEHM Nc1cnc(C2CCCC2)[n-]c1=O 59621071 343346112 /nfs/dbraw/zinc/34/61/12/343346112.db2.gz GBLBJCYXRLNCPY-UHFFFAOYSA-N -1 3 179.223 1.010 10 0 ADAEHM COC(=O)Cc1cccc([O-])c1F 59648249 343346572 /nfs/dbraw/zinc/34/65/72/343346572.db2.gz IYRGJHIDBMPDJF-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM Nc1nc(Cl)c(Cl)[n-]c1=S 60190361 343351503 /nfs/dbraw/zinc/35/15/03/343351503.db2.gz VKBQPLCCWHFJEG-UHFFFAOYSA-N -1 3 196.062 1.654 10 0 ADAEHM CC(=O)c1c(C)cc([O-])c(C)c1O 60237656 343351985 /nfs/dbraw/zinc/35/19/85/343351985.db2.gz PPZOUYHHVJTHSR-UHFFFAOYSA-N -1 3 180.203 1.917 10 0 ADAEHM CN(c1ccncc1)C(C)(C)C(=O)[O-] 61171289 343355680 /nfs/dbraw/zinc/35/56/80/343355680.db2.gz VOJZZWSJGKRXDR-UHFFFAOYSA-N -1 3 194.234 1.381 10 0 ADAEHM CC1(C)C[C@H]1n1c(=O)[n-][nH]c1=S 61591321 343357850 /nfs/dbraw/zinc/35/78/50/343357850.db2.gz OXIHJEKNRBJRFN-SCSAIBSYSA-N -1 3 185.252 1.205 10 0 ADAEHM CCC(C)(C)n1c(=O)[n-][nH]c1=S 61591636 343357883 /nfs/dbraw/zinc/35/78/83/343357883.db2.gz JTDCHUAIUYRPGW-UHFFFAOYSA-N -1 3 187.268 1.379 10 0 ADAEHM CC(C)CCn1c(=O)[n-][nH]c1=S 61591584 343357891 /nfs/dbraw/zinc/35/78/91/343357891.db2.gz JJCAUVRVAQWPER-UHFFFAOYSA-N -1 3 187.268 1.280 10 0 ADAEHM CCC[C@H](C)n1c(=O)[n-][nH]c1=S 61591538 343357918 /nfs/dbraw/zinc/35/79/18/343357918.db2.gz KDUYDCHDIOBLCC-YFKPBYRVSA-N -1 3 187.268 1.595 10 0 ADAEHM O=c1[n-][nH]c(=S)n1CC1CCC1 61591168 343357934 /nfs/dbraw/zinc/35/79/34/343357934.db2.gz AEBULVVNABQOMP-UHFFFAOYSA-N -1 3 185.252 1.034 10 0 ADAEHM CC(C)(C)Cn1c(=O)[n-][nH]c1=S 61591286 343357951 /nfs/dbraw/zinc/35/79/51/343357951.db2.gz YKIANUNBLBTYQM-UHFFFAOYSA-N -1 3 187.268 1.280 10 0 ADAEHM CC(C)[C@@H](C)n1c(=O)[n-][nH]c1=S 61591504 343357961 /nfs/dbraw/zinc/35/79/61/343357961.db2.gz QLSZDENXHIZLTA-RXMQYKEDSA-N -1 3 187.268 1.451 10 0 ADAEHM O=c1[n-][nH]c(=S)n1CC1CCCC1 61591172 343357968 /nfs/dbraw/zinc/35/79/68/343357968.db2.gz FACQVCKOTRCFNH-UHFFFAOYSA-N -1 3 199.279 1.424 10 0 ADAEHM CCC[C@@H](C)n1c(=O)[n-][nH]c1=S 61591537 343358026 /nfs/dbraw/zinc/35/80/26/343358026.db2.gz KDUYDCHDIOBLCC-RXMQYKEDSA-N -1 3 187.268 1.595 10 0 ADAEHM Cc1nc(N(C)C)[n-]c(=O)c1C(C)C 61688305 343360904 /nfs/dbraw/zinc/36/09/04/343360904.db2.gz KFAPCIQLRHYABU-UHFFFAOYSA-N -1 3 195.266 1.268 10 0 ADAEHM NC(=O)N1CCCc2cccc([O-])c21 61843605 343365317 /nfs/dbraw/zinc/36/53/17/343365317.db2.gz FGHFRLQAPFDAHV-UHFFFAOYSA-N -1 3 192.218 1.224 10 0 ADAEHM S=c1[n-]nc(-c2cscn2)o1 62357792 343373946 /nfs/dbraw/zinc/37/39/46/343373946.db2.gz LBQBZJDAHCXURY-UHFFFAOYSA-N -1 3 185.233 1.482 10 0 ADAEHM C[C@@H](O)c1ccc(F)cc1[O-] 62749050 343378973 /nfs/dbraw/zinc/37/89/73/343378973.db2.gz KPLOHARQMZCVAO-RXMQYKEDSA-N -1 3 156.156 1.585 10 0 ADAEHM C[C@H](O)c1ccc(F)cc1[O-] 62749049 343379005 /nfs/dbraw/zinc/37/90/05/343379005.db2.gz KPLOHARQMZCVAO-YFKPBYRVSA-N -1 3 156.156 1.585 10 0 ADAEHM NC(=S)c1ccc(Cl)cc1[O-] 62788693 343380089 /nfs/dbraw/zinc/38/00/89/343380089.db2.gz HTVDNLSBESFAFN-UHFFFAOYSA-N -1 3 187.651 1.680 10 0 ADAEHM O=c1[n-]c(-c2ccoc2)no1 63046764 343397870 /nfs/dbraw/zinc/39/78/70/343397870.db2.gz HLKGTYCWMDXPGD-UHFFFAOYSA-N -1 3 152.109 1.035 10 0 ADAEHM O=CN1CCCc2cccc([O-])c21 63063722 343399059 /nfs/dbraw/zinc/39/90/59/343399059.db2.gz JNFQVEKTYNCQEW-UHFFFAOYSA-N -1 3 177.203 1.301 10 0 ADAEHM [O-]C(=CC(F)(F)F)c1cnccn1 69049082 343423898 /nfs/dbraw/zinc/42/38/98/343423898.db2.gz YJXYAOOTPGBKQP-UHFFFAOYSA-N -1 3 190.124 1.612 10 0 ADAEHM C[C@H](CC1CC1)n1c(=O)[n-][nH]c1=S 69670197 343431768 /nfs/dbraw/zinc/43/17/68/343431768.db2.gz KTVGGXYHJGLEAV-RXMQYKEDSA-N -1 3 199.279 1.595 10 0 ADAEHM C[C@@H](CC1CC1)n1c(=O)[n-][nH]c1=S 69670193 343431843 /nfs/dbraw/zinc/43/18/43/343431843.db2.gz KTVGGXYHJGLEAV-YFKPBYRVSA-N -1 3 199.279 1.595 10 0 ADAEHM FC(F)(F)C[N-]c1nncs1 69965712 343461125 /nfs/dbraw/zinc/46/11/25/343461125.db2.gz HVIQJHGNFBJBIN-UHFFFAOYSA-N -1 3 183.158 1.512 10 0 ADAEHM Cc1ncsc1-c1n[n-]c(=O)o1 70030619 343467742 /nfs/dbraw/zinc/46/77/42/343467742.db2.gz XZKKTYWIOHKGFT-UHFFFAOYSA-N -1 3 183.192 1.207 10 0 ADAEHM O=c1[n-]nc(-c2cc(F)ccc2F)o1 70030447 343468115 /nfs/dbraw/zinc/46/81/15/343468115.db2.gz CKENUFSVUCKJNR-UHFFFAOYSA-N -1 3 198.128 1.720 10 0 ADAEHM CO[N-]C(=O)/C=C/c1csc(C)n1 70267991 343486008 /nfs/dbraw/zinc/48/60/08/343486008.db2.gz FQWJXAOZXSPEMN-ONEGZZNKSA-N -1 3 198.247 1.142 10 0 ADAEHM CO[N-]C(=O)/C=C/c1ccc(C)o1 70268072 343486045 /nfs/dbraw/zinc/48/60/45/343486045.db2.gz HRDNFKZYEYPXKX-AATRIKPKSA-N -1 3 181.191 1.279 10 0 ADAEHM Cc1cccc(-c2nnc(Cl)[n-]2)n1 70584150 343496497 /nfs/dbraw/zinc/49/64/97/343496497.db2.gz VXDYXJUIFYBYNT-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1cccc(-c2n[n-]c(Cl)n2)n1 70584150 343496499 /nfs/dbraw/zinc/49/64/99/343496499.db2.gz VXDYXJUIFYBYNT-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1cccc(-c2nc(Cl)n[n-]2)n1 70584150 343496501 /nfs/dbraw/zinc/49/65/01/343496501.db2.gz VXDYXJUIFYBYNT-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Clc1n[n-]c(-c2ccoc2)n1 70584174 343496642 /nfs/dbraw/zinc/49/66/42/343496642.db2.gz XEYKTWATYLZAOJ-UHFFFAOYSA-N -1 3 169.571 1.718 10 0 ADAEHM Cc1ccnc(-c2nnc(Cl)[n-]2)c1 70584189 343496750 /nfs/dbraw/zinc/49/67/50/343496750.db2.gz YQHVPMOATRNINZ-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1ccnc(-c2n[n-]c(Cl)n2)c1 70584189 343496752 /nfs/dbraw/zinc/49/67/52/343496752.db2.gz YQHVPMOATRNINZ-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1ccnc(-c2nc(Cl)n[n-]2)c1 70584189 343496754 /nfs/dbraw/zinc/49/67/54/343496754.db2.gz YQHVPMOATRNINZ-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM O=c1cc(C2CC2)nc(NC2CC2)[n-]1 70597365 343500596 /nfs/dbraw/zinc/50/05/96/343500596.db2.gz YLKDTTOGNKBIJL-UHFFFAOYSA-N -1 3 191.234 1.222 10 0 ADAEHM CCc1nc(NC2CC2)[n-]c(=O)c1C 70622021 343505081 /nfs/dbraw/zinc/50/50/81/343505081.db2.gz VZWKBWIFRCFOHO-UHFFFAOYSA-N -1 3 193.250 1.215 10 0 ADAEHM CCc1c(C)nc(NC2CC2)[n-]c1=O 70622020 343505144 /nfs/dbraw/zinc/50/51/44/343505144.db2.gz HWOROWSHGLFXKF-UHFFFAOYSA-N -1 3 193.250 1.215 10 0 ADAEHM CCO[C@H](C)c1nnc(Cl)[n-]1 70833801 343535132 /nfs/dbraw/zinc/53/51/32/343535132.db2.gz AHDKHAIUVIZKBU-SCSAIBSYSA-N -1 3 175.619 1.556 10 0 ADAEHM CCO[C@H](C)c1n[n-]c(Cl)n1 70833801 343535134 /nfs/dbraw/zinc/53/51/34/343535134.db2.gz AHDKHAIUVIZKBU-SCSAIBSYSA-N -1 3 175.619 1.556 10 0 ADAEHM CCO[C@H](C)c1nc(Cl)n[n-]1 70833801 343535136 /nfs/dbraw/zinc/53/51/36/343535136.db2.gz AHDKHAIUVIZKBU-SCSAIBSYSA-N -1 3 175.619 1.556 10 0 ADAEHM C[C@@H]1CCC[C@H]1n1c(=O)[n-][nH]c1=S 70835001 343535580 /nfs/dbraw/zinc/53/55/80/343535580.db2.gz FGGMRFGGZNJPIQ-PHDIDXHHSA-N -1 3 199.279 1.595 10 0 ADAEHM C[C@@H]1CCC[C@@H]1n1c(=O)[n-][nH]c1=S 70834996 343535587 /nfs/dbraw/zinc/53/55/87/343535587.db2.gz FGGMRFGGZNJPIQ-RITPCOANSA-N -1 3 199.279 1.595 10 0 ADAEHM C[C@H]1CCC[C@@H]1n1c(=O)[n-][nH]c1=S 70834998 343535673 /nfs/dbraw/zinc/53/56/73/343535673.db2.gz FGGMRFGGZNJPIQ-WDSKDSINSA-N -1 3 199.279 1.595 10 0 ADAEHM C[C@H]1CCC[C@H]1n1c(=O)[n-][nH]c1=S 70835004 343535678 /nfs/dbraw/zinc/53/56/78/343535678.db2.gz FGGMRFGGZNJPIQ-NTSWFWBYSA-N -1 3 199.279 1.595 10 0 ADAEHM CNCc1nc(C(C)(C)C)cc(=O)[n-]1 70947457 343542420 /nfs/dbraw/zinc/54/24/20/343542420.db2.gz AAHISJXWDUFQLE-UHFFFAOYSA-N -1 3 195.266 1.199 10 0 ADAEHM Cc1nc(CN)[n-]c(=O)c1C(C)C 70947516 343542496 /nfs/dbraw/zinc/54/24/96/343542496.db2.gz IDWSDWLBKMFFQM-UHFFFAOYSA-N -1 3 181.239 1.073 10 0 ADAEHM CC[C@H](N)c1nc(C(C)C)cc(=O)[n-]1 70947925 343542861 /nfs/dbraw/zinc/54/28/61/343542861.db2.gz UVWNMHUMVCDJRI-ZETCQYMHSA-N -1 3 195.266 1.303 10 0 ADAEHM Cc1nc([C@@H](C)N)[n-]c(=O)c1C(C)C 70947580 343542994 /nfs/dbraw/zinc/54/29/94/343542994.db2.gz DXLQZJAQTROGRN-ZCFIWIBFSA-N -1 3 195.266 1.221 10 0 ADAEHM CCc1c(C)nc([C@@H](N)CC)[n-]c1=O 70947949 343543024 /nfs/dbraw/zinc/54/30/24/343543024.db2.gz VHXPWDKOIZSPFP-QMMMGPOBSA-N -1 3 195.266 1.051 10 0 ADAEHM CC[C@@H](N)c1nc(C(C)C)cc(=O)[n-]1 70947928 343543136 /nfs/dbraw/zinc/54/31/36/343543136.db2.gz UVWNMHUMVCDJRI-SSDOTTSWSA-N -1 3 195.266 1.303 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)CCCCC2 71002641 343547200 /nfs/dbraw/zinc/54/72/00/343547200.db2.gz JTFZGLISAWFWMJ-UHFFFAOYSA-N -1 3 178.235 1.347 10 0 ADAEHM CNc1nc2c(c(=O)[n-]1)CCCCC2 71002664 343547238 /nfs/dbraw/zinc/54/72/38/343547238.db2.gz YAXFHRXXFZJECI-UHFFFAOYSA-N -1 3 193.250 1.081 10 0 ADAEHM O=c1[n-]cnc2c1CCCCC2 71002661 343547303 /nfs/dbraw/zinc/54/73/03/343547303.db2.gz YREMRWBPUYLAPR-UHFFFAOYSA-N -1 3 164.208 1.039 10 0 ADAEHM Cn1[n-]c(C2CC2)cc1=S 71006860 343547801 /nfs/dbraw/zinc/54/78/01/343547801.db2.gz MRUOQBFXJVNDGF-UHFFFAOYSA-N -1 3 154.238 1.586 10 0 ADAEHM CC[C@H](N)c1nc(C2CC2)cc(=O)[n-]1 71009137 343547808 /nfs/dbraw/zinc/54/78/08/343547808.db2.gz BCIIUJHPVKGKPO-ZETCQYMHSA-N -1 3 193.250 1.057 10 0 ADAEHM CC(C)Cc1nc(C2CC2)cc(=O)[n-]1 71003227 343547824 /nfs/dbraw/zinc/54/78/24/343547824.db2.gz XULXLLFXRSRKQJ-UHFFFAOYSA-N -1 3 192.262 1.846 10 0 ADAEHM CCCc1nc(C2CC2)cc(=O)[n-]1 71003338 343547925 /nfs/dbraw/zinc/54/79/25/343547925.db2.gz SLYMXLAYTWQXAG-UHFFFAOYSA-N -1 3 178.235 1.600 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H](N)C(C)(C)C)n1 71396840 343552313 /nfs/dbraw/zinc/55/23/13/343552313.db2.gz GLVLQSFLBWOEQY-MRVPVSSYSA-N -1 3 195.266 1.124 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H](N)C(C)(C)C)n1 71396839 343552463 /nfs/dbraw/zinc/55/24/63/343552463.db2.gz GLVLQSFLBWOEQY-QMMMGPOBSA-N -1 3 195.266 1.124 10 0 ADAEHM Cc1cc(C)c([O-])c(C(N)=O)c1 71463563 343552619 /nfs/dbraw/zinc/55/26/19/343552619.db2.gz QDVWFBRPHCXKEB-UHFFFAOYSA-N -1 3 165.192 1.108 10 0 ADAEHM Cc1ccc(C)c(C(N)=O)c1[O-] 71462806 343552627 /nfs/dbraw/zinc/55/26/27/343552627.db2.gz IRLRXPWMGNVSHD-UHFFFAOYSA-N -1 3 165.192 1.108 10 0 ADAEHM Cc1c([O-])ccc(C(N)=O)c1C 71456770 343552986 /nfs/dbraw/zinc/55/29/86/343552986.db2.gz UREWDFSPQSEPQJ-UHFFFAOYSA-N -1 3 165.192 1.108 10 0 ADAEHM Cc1cc([O-])cc(C)c1C(N)=O 71456816 343553095 /nfs/dbraw/zinc/55/30/95/343553095.db2.gz JUVCHIZWUPGERR-UHFFFAOYSA-N -1 3 165.192 1.108 10 0 ADAEHM CCc1cc(C(C)=O)c(O)cc1[O-] 71617754 343557107 /nfs/dbraw/zinc/55/71/07/343557107.db2.gz XXDREGOVCGEMBJ-UHFFFAOYSA-N -1 3 180.203 1.863 10 0 ADAEHM Cc1cccc([C@H](N)C(=O)[O-])c1F 72191054 343559988 /nfs/dbraw/zinc/55/99/88/343559988.db2.gz KLCJTGPCSYJKGK-QMMMGPOBSA-N -1 3 183.182 1.219 10 0 ADAEHM Cc1cc(Cl)cc([C@H](N)C(=O)[O-])c1 72191165 343560009 /nfs/dbraw/zinc/56/00/09/343560009.db2.gz WIFAUYOHTRCICA-QMMMGPOBSA-N -1 3 199.637 1.733 10 0 ADAEHM Cc1ccc([C@H](N)C(=O)[O-])cc1Cl 72191162 343560028 /nfs/dbraw/zinc/56/00/28/343560028.db2.gz FOLAWNHKMAFBKP-QMMMGPOBSA-N -1 3 199.637 1.733 10 0 ADAEHM Cc1cc(Cl)ccc1[C@H](N)C(=O)[O-] 72191164 343560056 /nfs/dbraw/zinc/56/00/56/343560056.db2.gz ICOCVWCRIQFZGZ-QMMMGPOBSA-N -1 3 199.637 1.733 10 0 ADAEHM Cc1nc(-c2cc(N)ccc2[O-])n[nH]1 72237577 343567448 /nfs/dbraw/zinc/56/74/48/343567448.db2.gz FTGWFLVVHCMQNA-UHFFFAOYSA-N -1 3 190.206 1.068 10 0 ADAEHM CCOC(=O)c1[n-]cnc1SC 75252967 343576181 /nfs/dbraw/zinc/57/61/81/343576181.db2.gz ITUZHYJGARQIOX-UHFFFAOYSA-N -1 3 186.236 1.308 10 0 ADAEHM CNC(=S)c1ccc([O-])cc1 75856509 343578969 /nfs/dbraw/zinc/57/89/69/343578969.db2.gz XPTDMEIVYUVPPI-UHFFFAOYSA-N -1 3 167.233 1.287 10 0 ADAEHM CN(C)c1ccncc1CCC(=O)[O-] 83279502 343618249 /nfs/dbraw/zinc/61/82/49/343618249.db2.gz ICPSRDDQLSLKSM-UHFFFAOYSA-N -1 3 194.234 1.165 10 0 ADAEHM COc1cc([O-])ccc1/C=C\[N+](=O)[O-] 83319663 343618705 /nfs/dbraw/zinc/61/87/05/343618705.db2.gz CMUSKJNKYFRPKR-PLNGDYQASA-N -1 3 195.174 1.648 10 0 ADAEHM Cc1c(C)c(C=O)c(O)c(C)c1[O-] 85647379 343645843 /nfs/dbraw/zinc/64/58/43/343645843.db2.gz DFMWSPPHROULTM-UHFFFAOYSA-N -1 3 180.203 1.836 10 0 in-vitro ADAEHM CC1=CS[C@@](C)(OC(=O)[O-])[C@@H]1N 87491375 343661796 /nfs/dbraw/zinc/66/17/96/343661796.db2.gz IGYYKRCYUJWQSV-IYSWYEEDSA-N -1 3 189.236 1.375 10 0 ADAEHM CC1=CS[C@@](C)(OC(=O)[O-])[C@H]1N 87491378 343661914 /nfs/dbraw/zinc/66/19/14/343661914.db2.gz IGYYKRCYUJWQSV-CAHLUQPWSA-N -1 3 189.236 1.375 10 0 ADAEHM CC1=CS[C@](C)(OC(=O)[O-])[C@H]1N 87491379 343661935 /nfs/dbraw/zinc/66/19/35/343661935.db2.gz IGYYKRCYUJWQSV-FSPLSTOPSA-N -1 3 189.236 1.375 10 0 ADAEHM CC=CCCc1cc(=O)[nH][n-]1 100308445 343715465 /nfs/dbraw/zinc/71/54/65/343715465.db2.gz KAAYOPFHNAIKAQ-NSCUHMNNSA-N -1 3 152.197 1.219 10 0 ADAEHM Cc1ccc([O-])c2n[nH]cc12 89196559 343672146 /nfs/dbraw/zinc/67/21/46/343672146.db2.gz RDBSXLKYVMLUCO-UHFFFAOYSA-N -1 3 148.165 1.577 10 0 ADAEHM CCc1cn2cccc([O-])c2n1 89201718 343672828 /nfs/dbraw/zinc/67/28/28/343672828.db2.gz VCAXGMLVROLCSQ-UHFFFAOYSA-N -1 3 162.192 1.602 10 0 ADAEHM Cc1[n-]nc2cc(Cl)[nH]c(=O)c12 89220079 343673299 /nfs/dbraw/zinc/67/32/99/343673299.db2.gz VHGGHOCJZPQZCV-UHFFFAOYSA-N -1 3 183.598 1.625 10 0 ADAEHM Cc1nc2c(C(C)C)[nH]nc2c(=O)[n-]1 89211996 343673424 /nfs/dbraw/zinc/67/34/24/343673424.db2.gz INQIATCKZLLVQG-UHFFFAOYSA-N -1 3 192.222 1.078 10 0 ADAEHM Cc1n[nH]c2[n-]c(=S)[nH]c(=O)c12 89222425 343673767 /nfs/dbraw/zinc/67/37/67/343673767.db2.gz BXSOLAWCAFEXBA-UHFFFAOYSA-N -1 3 182.208 1.030 10 0 ADAEHM Cc1n[nH]c2[n-]c(=S)[nH]c(=S)c12 89222416 343673855 /nfs/dbraw/zinc/67/38/55/343673855.db2.gz GAKDHAHADSNAOD-UHFFFAOYSA-N -1 3 198.276 1.613 10 0 ADAEHM Cc1nn(C)c2cc[n-]c(=S)c12 89220301 343674053 /nfs/dbraw/zinc/67/40/53/343674053.db2.gz ZSKIVWMVBQDDLJ-UHFFFAOYSA-N -1 3 179.248 1.939 10 0 ADAEHM [O-]c1cc2cc[nH]c2nc1Cl 95919847 343689715 /nfs/dbraw/zinc/68/97/15/343689715.db2.gz MBIGQKXTKVDMPN-UHFFFAOYSA-N -1 3 168.583 1.922 10 0 ADAEHM Cc1nc2c([O-])ccc(O)c2[nH]1 95924592 343690539 /nfs/dbraw/zinc/69/05/39/343690539.db2.gz NROLWYXCNABYFL-UHFFFAOYSA-N -1 3 164.164 1.283 10 0 ADAEHM Cc1nc2c([O-])cc(N)cc2[nH]1 95932656 343691033 /nfs/dbraw/zinc/69/10/33/343691033.db2.gz LPELZFBXJNDLTQ-UHFFFAOYSA-N -1 3 163.180 1.159 10 0 ADAEHM CCc1cnc(=S)[n-]c1Cl 96311380 343695643 /nfs/dbraw/zinc/69/56/43/343695643.db2.gz NLSYAROFFHBGFC-UHFFFAOYSA-N -1 3 174.656 1.981 10 0 ADAEHM Cc1ccc(-c2cnc[n-]c2=O)nc1 96301422 343695310 /nfs/dbraw/zinc/69/53/10/343695310.db2.gz XYCJFYLFDVFKMG-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM Cc1ncc(C(C)C)c(=O)[n-]1 96311256 343695320 /nfs/dbraw/zinc/69/53/20/343695320.db2.gz FEAFOTYWJJFEQS-UHFFFAOYSA-N -1 3 152.197 1.202 10 0 ADAEHM CCc1cnc(C(C)C)[n-]c1=O 96311381 343695410 /nfs/dbraw/zinc/69/54/10/343695410.db2.gz SECNHGBNCVRQIS-UHFFFAOYSA-N -1 3 166.224 1.456 10 0 ADAEHM Cc1ccsc1-c1cnc[n-]c1=O 96301867 343695474 /nfs/dbraw/zinc/69/54/74/343695474.db2.gz OWGRGYJQGOEMAI-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1cccc(-c2cnc[n-]c2=O)c1 96301871 343695534 /nfs/dbraw/zinc/69/55/34/343695534.db2.gz ZLGBWKIIIQBAGQ-UHFFFAOYSA-N -1 3 186.214 1.745 10 0 ADAEHM CCc1cnc(C2CC2)[n-]c1=O 96311383 343695641 /nfs/dbraw/zinc/69/56/41/343695641.db2.gz CTGJVVJOLHMCST-UHFFFAOYSA-N -1 3 164.208 1.210 10 0 ADAEHM Cc1cnc(C(C)(C)C)[n-]c1=O 96311371 343695647 /nfs/dbraw/zinc/69/56/47/343695647.db2.gz IKSHPNRTDHRILD-UHFFFAOYSA-N -1 3 166.224 1.376 10 0 ADAEHM CCc1cnc(C(C)(C)C)[n-]c1=O 96311385 343695699 /nfs/dbraw/zinc/69/56/99/343695699.db2.gz NMPJFQHKZUQHBQ-UHFFFAOYSA-N -1 3 180.251 1.630 10 0 ADAEHM [O-]c1c[nH]cc2c(F)cnc1-2 96320881 343695849 /nfs/dbraw/zinc/69/58/49/343695849.db2.gz FUTXWTOVHSCKHM-UHFFFAOYSA-N -1 3 152.128 1.408 10 0 ADAEHM Cc1ccc2oc(C)c([O-])c2c1 96319933 343695892 /nfs/dbraw/zinc/69/58/92/343695892.db2.gz DQPPICLXWCIFKG-ZETCQYMHSA-N -1 3 162.188 1.959 10 0 ADAEHM O=C([O-])c1c[nH]cc2c(F)cnc1-2 96320882 343696001 /nfs/dbraw/zinc/69/60/01/343696001.db2.gz ARRGXJZUVHXQPL-UHFFFAOYSA-N -1 3 180.138 1.400 10 0 ADAEHM NN=c1[nH]c2c([O-])cccc2s1 96320681 343696009 /nfs/dbraw/zinc/69/60/09/343696009.db2.gz CUYKHKKHELGXOH-UHFFFAOYSA-N -1 3 181.220 1.288 10 0 ADAEHM [O-]c1cncc2[nH]cc(F)c12 96320902 343696454 /nfs/dbraw/zinc/69/64/54/343696454.db2.gz WXKBHMCZDISAEY-UHFFFAOYSA-N -1 3 152.128 1.408 10 0 ADAEHM CCCCCc1c(C)[n-][nH]c1=O 100127729 343711426 /nfs/dbraw/zinc/71/14/26/343711426.db2.gz ZPUSDMNVLZKCGZ-MRVPVSSYSA-N -1 3 168.240 1.689 10 0 ADAEHM Cc1cc(C)c2c(=O)onc-2[n-]1 100279753 343714482 /nfs/dbraw/zinc/71/44/82/343714482.db2.gz LGHPZIRJUAUCSP-UHFFFAOYSA-N -1 3 164.164 1.133 10 0 ADAEHM C[C@@]1(O)C=C2SC=CNC2=C1[O-] 100299125 343715134 /nfs/dbraw/zinc/71/51/34/343715134.db2.gz LHJJHNPFDMGTGH-MRVPVSSYSA-N -1 3 183.232 1.212 10 0 ADAEHM C[C@]1(O)C=C2SC=CNC2=C1[O-] 100299121 343715218 /nfs/dbraw/zinc/71/52/18/343715218.db2.gz LHJJHNPFDMGTGH-QMMMGPOBSA-N -1 3 183.232 1.212 10 0 ADAEHM CCCCCc1cc(=O)[nH][n-]1 100308455 343715374 /nfs/dbraw/zinc/71/53/74/343715374.db2.gz ZCGPRFGCTOBVSW-UHFFFAOYSA-N -1 3 154.213 1.443 10 0 ADAEHM Cc1oc2cc3c(cc2c1[O-])OCO3 105738287 343737301 /nfs/dbraw/zinc/73/73/01/343737301.db2.gz KKBSEUNVZKPUGD-RXMQYKEDSA-N -1 3 192.170 1.379 10 0 ADAEHM Cc1sccc1[C@@H](N)C(=O)[O-] 107163367 343745510 /nfs/dbraw/zinc/74/55/10/343745510.db2.gz QMOUBEDGDUNAAG-ZCFIWIBFSA-N -1 3 171.221 1.141 10 0 ADAEHM Cc1sccc1[C@H](N)C(=O)[O-] 107163364 343745592 /nfs/dbraw/zinc/74/55/92/343745592.db2.gz QMOUBEDGDUNAAG-LURJTMIESA-N -1 3 171.221 1.141 10 0 ADAEHM NC(=O)c1ccc2c(c1[O-])CCCC2 113674561 343759918 /nfs/dbraw/zinc/75/99/18/343759918.db2.gz HGIACFSIHQEXKZ-UHFFFAOYSA-N -1 3 191.230 1.370 10 0 ADAEHM COCOc1ccc([O-])c(C=O)c1 115436283 343766743 /nfs/dbraw/zinc/76/67/43/343766743.db2.gz MKAFWXKNSQNSPX-UHFFFAOYSA-N -1 3 182.175 1.187 10 0 ADAEHM COC(=O)c1c(C)ccc([O-])c1F 116346180 343769191 /nfs/dbraw/zinc/76/91/91/343769191.db2.gz REBUTGVDTWZVDV-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM CCc1c(OC)ccc(C=O)c1[O-] 116780131 343770804 /nfs/dbraw/zinc/77/08/04/343770804.db2.gz SEMRSJLYFXOYBG-UHFFFAOYSA-N -1 3 180.203 1.776 10 0 ADAEHM CCN1CC=C(CC(=O)[O-])CC1 117030806 343771657 /nfs/dbraw/zinc/77/16/57/343771657.db2.gz WASPNZLUPGMVCT-UHFFFAOYSA-N -1 3 169.224 1.113 10 0 ADAEHM O=C1C=C([O-])CC(c2cscn2)C1 127155741 343805396 /nfs/dbraw/zinc/80/53/96/343805396.db2.gz VPSBIRQPAYIEAA-UHFFFAOYSA-N -1 3 195.243 1.549 10 0 ADAEHM CCc1nc(C2CCCC2)cc(=O)[n-]1 127328029 343809740 /nfs/dbraw/zinc/80/97/40/343809740.db2.gz OGEOELIVFIALQS-UHFFFAOYSA-N -1 3 192.262 1.990 10 0 ADAEHM Cn1[n-]c(C2CCCC2)c(N)c1=O 127559345 343813817 /nfs/dbraw/zinc/81/38/17/343813817.db2.gz WZZMILRZDHBIQX-UHFFFAOYSA-N -1 3 181.239 1.366 10 0 ADAEHM Nc1c(C2CCCC2)[n-][nH]c1=O 127559556 343813927 /nfs/dbraw/zinc/81/39/27/343813927.db2.gz WBEJOQWFHCFVTC-UHFFFAOYSA-N -1 3 167.212 1.355 10 0 ADAEHM Cn1nc([C@H]2CCCCO2)[n-]c1=S 127727631 343817451 /nfs/dbraw/zinc/81/74/51/343817451.db2.gz RVBFQFWRMVPDGL-ZCFIWIBFSA-N -1 3 199.279 1.345 10 0 ADAEHM Cn1nc(-c2ccoc2)[n-]c1=S 127733154 343817656 /nfs/dbraw/zinc/81/76/56/343817656.db2.gz ZASPNIRHQMGKCZ-UHFFFAOYSA-N -1 3 181.220 1.364 10 0 ADAEHM Cn1nc([C@@H]2CCCCO2)[n-]c1=S 127727430 343817889 /nfs/dbraw/zinc/81/78/89/343817889.db2.gz RVBFQFWRMVPDGL-LURJTMIESA-N -1 3 199.279 1.345 10 0 ADAEHM Cn1nc(-c2cccnc2)[n-]c1=S 127734843 343817915 /nfs/dbraw/zinc/81/79/15/343817915.db2.gz VIQFWHZSNWOQPY-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM Cn1nc(-c2cscn2)[n-]c1=S 127740583 343818331 /nfs/dbraw/zinc/81/83/31/343818331.db2.gz HKTNGRMOVXMFOT-UHFFFAOYSA-N -1 3 198.276 1.227 10 0 ADAEHM C[C@@H]1CCO[C@H]1c1nn(C)c(=S)[n-]1 127744807 343818385 /nfs/dbraw/zinc/81/83/85/343818385.db2.gz JJBDHNUTFDBBBR-PHDIDXHHSA-N -1 3 199.279 1.201 10 0 ADAEHM C[C@H]1CCO[C@@H]1c1nn(C)c(=S)[n-]1 127744551 343818432 /nfs/dbraw/zinc/81/84/32/343818432.db2.gz JJBDHNUTFDBBBR-WDSKDSINSA-N -1 3 199.279 1.201 10 0 ADAEHM Cn1nc(CC(F)(F)F)[n-]c1=S 127761979 343818436 /nfs/dbraw/zinc/81/84/36/343818436.db2.gz WVPIPZVKCPIUKN-UHFFFAOYSA-N -1 3 197.185 1.209 10 0 ADAEHM C[C@H]1CCO[C@H]1c1nn(C)c(=S)[n-]1 127745018 343818540 /nfs/dbraw/zinc/81/85/40/343818540.db2.gz JJBDHNUTFDBBBR-NTSWFWBYSA-N -1 3 199.279 1.201 10 0 ADAEHM C[C@@H]1CCO[C@@H]1c1nn(C)c(=S)[n-]1 127744318 343818581 /nfs/dbraw/zinc/81/85/81/343818581.db2.gz JJBDHNUTFDBBBR-RITPCOANSA-N -1 3 199.279 1.201 10 0 ADAEHM Cc1cc(-c2nn(C)c(=S)[n-]2)no1 127766846 343818640 /nfs/dbraw/zinc/81/86/40/343818640.db2.gz GDKMBMYVFHRVBK-UHFFFAOYSA-N -1 3 196.235 1.067 10 0 ADAEHM Cn1nc([C@@]2(C)CCCO2)[n-]c1=S 127794864 343818976 /nfs/dbraw/zinc/81/89/76/343818976.db2.gz MMBPHSZOBXDPLJ-MRVPVSSYSA-N -1 3 199.279 1.129 10 0 ADAEHM C[C@H]1CC[C@@H](c2nn(C)c(=S)[n-]2)O1 127769948 343818984 /nfs/dbraw/zinc/81/89/84/343818984.db2.gz NPQZICYBCNYPNZ-WDSKDSINSA-N -1 3 199.279 1.344 10 0 ADAEHM Cn1nc([C@]2(C)CCCO2)[n-]c1=S 127795077 343818996 /nfs/dbraw/zinc/81/89/96/343818996.db2.gz MMBPHSZOBXDPLJ-QMMMGPOBSA-N -1 3 199.279 1.129 10 0 ADAEHM C[C@H]1CC[C@H](c2nn(C)c(=S)[n-]2)O1 127769494 343819075 /nfs/dbraw/zinc/81/90/75/343819075.db2.gz NPQZICYBCNYPNZ-NTSWFWBYSA-N -1 3 199.279 1.344 10 0 ADAEHM Cc1ncoc1-c1nn(C)c(=S)[n-]1 127796747 343819080 /nfs/dbraw/zinc/81/90/80/343819080.db2.gz DGUJZJORTACCMP-UHFFFAOYSA-N -1 3 196.235 1.067 10 0 ADAEHM Cc1oncc1-c1nn(C)c(=S)[n-]1 127772898 343819110 /nfs/dbraw/zinc/81/91/10/343819110.db2.gz MZWLCJYRINPTLQ-UHFFFAOYSA-N -1 3 196.235 1.067 10 0 ADAEHM C[C@@H]1CC[C@@H](c2nn(C)c(=S)[n-]2)O1 127769728 343819146 /nfs/dbraw/zinc/81/91/46/343819146.db2.gz NPQZICYBCNYPNZ-RITPCOANSA-N -1 3 199.279 1.344 10 0 ADAEHM C[C@@H]1CC[C@H](c2nn(C)c(=S)[n-]2)O1 127769286 343819225 /nfs/dbraw/zinc/81/92/25/343819225.db2.gz NPQZICYBCNYPNZ-PHDIDXHHSA-N -1 3 199.279 1.344 10 0 ADAEHM Cc1ccoc1-c1nn(C)c(=S)[n-]1 127772380 343819262 /nfs/dbraw/zinc/81/92/62/343819262.db2.gz SPSOXPVWPNAIHJ-UHFFFAOYSA-N -1 3 195.247 1.672 10 0 ADAEHM Cc1ccc(-c2nn(C)c(=S)[n-]2)o1 127812458 343819556 /nfs/dbraw/zinc/81/95/56/343819556.db2.gz YUOYQWONBPOVCF-UHFFFAOYSA-N -1 3 195.247 1.672 10 0 ADAEHM CC(C)OCc1nn(C)c(=S)[n-]1 127808613 343819622 /nfs/dbraw/zinc/81/96/22/343819622.db2.gz MRJKYLWWDWGNMC-UHFFFAOYSA-N -1 3 187.268 1.029 10 0 ADAEHM Cc1cc(-c2nn(C)c(=S)[n-]2)on1 127802405 343819639 /nfs/dbraw/zinc/81/96/39/343819639.db2.gz IQCXVUQWMOWGET-UHFFFAOYSA-N -1 3 196.235 1.067 10 0 ADAEHM Cc1occc1-c1nn(C)c(=S)[n-]1 127810599 343819861 /nfs/dbraw/zinc/81/98/61/343819861.db2.gz VWIFNMLZZWHMQV-UHFFFAOYSA-N -1 3 195.247 1.672 10 0 ADAEHM C[C@@H]1CC[C@@H](n2c(=O)[n-][nH]c2=S)C1 128008767 343822801 /nfs/dbraw/zinc/82/28/01/343822801.db2.gz XDVMPSOVJNXJCP-PHDIDXHHSA-N -1 3 199.279 1.221 10 0 ADAEHM C[C@H]1CC[C@@H](n2c(=O)[n-][nH]c2=S)C1 128008990 343822878 /nfs/dbraw/zinc/82/28/78/343822878.db2.gz XDVMPSOVJNXJCP-NTSWFWBYSA-N -1 3 199.279 1.221 10 0 ADAEHM C[C@H]1CC[C@H](n2c(=O)[n-][nH]c2=S)C1 128008517 343823236 /nfs/dbraw/zinc/82/32/36/343823236.db2.gz XDVMPSOVJNXJCP-WDSKDSINSA-N -1 3 199.279 1.221 10 0 ADAEHM C[C@@H]1CC[C@H](n2c(=O)[n-][nH]c2=S)C1 128008272 343823282 /nfs/dbraw/zinc/82/32/82/343823282.db2.gz XDVMPSOVJNXJCP-RITPCOANSA-N -1 3 199.279 1.221 10 0 ADAEHM Cn1nncc1-c1ccc([O-])cc1F 129105970 343844719 /nfs/dbraw/zinc/84/47/19/343844719.db2.gz BYEJWQQNRMYRBX-UHFFFAOYSA-N -1 3 193.181 1.327 10 0 ADAEHM Cn1nncc1-c1cc(F)ccc1[O-] 129105761 343844709 /nfs/dbraw/zinc/84/47/09/343844709.db2.gz ZKKQMJQILMKGHQ-UHFFFAOYSA-N -1 3 193.181 1.327 10 0 ADAEHM Cc1cc(F)cc2c([O-])coc12 129258608 343846747 /nfs/dbraw/zinc/84/67/47/343846747.db2.gz AQYUMQRKJQANDE-UHFFFAOYSA-N -1 3 166.151 1.709 10 0 ADAEHM Nc1ccc2c(=O)[n-]c(Cl)nc2c1 129290245 343847687 /nfs/dbraw/zinc/84/76/87/343847687.db2.gz XOJWQKFOLHEBHV-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 ADAEHM Nc1ccc2nc(Cl)[n-]c(=O)c2c1 129308283 343848116 /nfs/dbraw/zinc/84/81/16/343848116.db2.gz OQXBNQDEIXUIGQ-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 ADAEHM Nc1cccc2nc(Cl)[n-]c(=O)c12 129354374 343848646 /nfs/dbraw/zinc/84/86/46/343848646.db2.gz HRCOTVYHYCRXHQ-UHFFFAOYSA-N -1 3 195.609 1.571 10 0 in-vitro ADAEHM O=C(c1c[n-]nn1)C1CCCCCC1 129471018 343851038 /nfs/dbraw/zinc/85/10/38/343851038.db2.gz UPDZHVMKZCJHLB-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM O=C(c1cn[n-]n1)C1CCCCCC1 129471018 343851041 /nfs/dbraw/zinc/85/10/41/343851041.db2.gz UPDZHVMKZCJHLB-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM [O-]C(=Cc1ccoc1)c1ncccn1 130589081 343870265 /nfs/dbraw/zinc/87/02/65/343870265.db2.gz FOZZUFWTDBMEHX-UHFFFAOYSA-N -1 3 188.186 1.495 10 0 ADAEHM [O-]C(=Cc1ccco1)c1cnccn1 130588861 343870380 /nfs/dbraw/zinc/87/03/80/343870380.db2.gz BZQOZINKGOCCGU-UHFFFAOYSA-N -1 3 188.186 1.495 10 0 ADAEHM [O-]C(=Cc1ccoc1)c1cnccn1 130588640 343870472 /nfs/dbraw/zinc/87/04/72/343870472.db2.gz FFFTZSACVMGYIY-UHFFFAOYSA-N -1 3 188.186 1.495 10 0 ADAEHM [O-]C(=Cc1ccco1)c1ncccn1 130589303 343871114 /nfs/dbraw/zinc/87/11/14/343871114.db2.gz HWNFGHMMKMJNEH-UHFFFAOYSA-N -1 3 188.186 1.495 10 0 ADAEHM Cc1[n-]n(C(C)(C)C)c(=O)c1N 130773045 343875061 /nfs/dbraw/zinc/87/50/61/343875061.db2.gz HLSRAVXLIAKAOA-UHFFFAOYSA-N -1 3 169.228 1.234 10 0 ADAEHM CCC(CC)n1[n-]c(C)c(N)c1=O 130796615 343875386 /nfs/dbraw/zinc/87/53/86/343875386.db2.gz SFFRSZYRQIUOGB-UHFFFAOYSA-N -1 3 183.255 1.840 10 0 ADAEHM CCCCn1[n-]c(C)c(N)c1=O 130795184 343875978 /nfs/dbraw/zinc/87/59/78/343875978.db2.gz HFNLWZLZFXVFQN-UHFFFAOYSA-N -1 3 169.228 1.279 10 0 ADAEHM CC(C)n1c([C@H](C)O)n[n-]c1=S 130920285 343877773 /nfs/dbraw/zinc/87/77/73/343877773.db2.gz GPJZGHBTXWNGAP-YFKPBYRVSA-N -1 3 187.268 1.201 10 0 ADAEHM Cc1cc(C(=O)[N-]C#N)c(F)cc1F 132032678 343892654 /nfs/dbraw/zinc/89/26/54/343892654.db2.gz LJQREEWSPPFCGO-UHFFFAOYSA-N -1 3 196.156 1.484 10 0 ADAEHM Cc1cccc(C(=O)[N-]C#N)c1F 132038559 343893038 /nfs/dbraw/zinc/89/30/38/343893038.db2.gz GCRFOMXJEGOZRD-UHFFFAOYSA-N -1 3 178.166 1.345 10 0 ADAEHM CN(C)Cc1cc(F)c([O-])c(F)c1 132501912 343899423 /nfs/dbraw/zinc/89/94/23/343899423.db2.gz ZYVKWTPKNAYOJG-UHFFFAOYSA-N -1 3 187.189 1.732 10 0 ADAEHM Cc1ccc([O-])c(CN(C)C)n1 132501086 343899559 /nfs/dbraw/zinc/89/95/59/343899559.db2.gz IIFVGOKWTIIFBG-UHFFFAOYSA-N -1 3 166.224 1.157 10 0 ADAEHM CCN(C)Cc1nc(C)ccc1[O-] 132541113 343900183 /nfs/dbraw/zinc/90/01/83/343900183.db2.gz MUHOJIFRIPADJV-UHFFFAOYSA-N -1 3 180.251 1.547 10 0 ADAEHM O=c1ccn(C2CC=CC2)c(=S)[n-]1 133741000 343925594 /nfs/dbraw/zinc/92/55/94/343925594.db2.gz YGXXTBWLKYMPSU-UHFFFAOYSA-N -1 3 194.259 1.423 10 0 ADAEHM CN1CCC/C(=C(\F)C(=O)[O-])C1 134329720 343940129 /nfs/dbraw/zinc/94/01/29/343940129.db2.gz LQIFZOWOALXJSM-VOTSOKGWSA-N -1 3 173.187 1.020 10 0 ADAEHM C/C(C(=O)[O-])=C1\CCCN(C)C1 134329687 343940210 /nfs/dbraw/zinc/94/02/10/343940210.db2.gz DFXQKKKAZAKLEW-FPLPWBNLSA-N -1 3 169.224 1.113 10 0 ADAEHM CC(C)(C)O[N-]C(=O)C(C)(C)C 134515787 343944105 /nfs/dbraw/zinc/94/41/05/343944105.db2.gz GBALPGXLPMAOMI-UHFFFAOYSA-N -1 3 173.256 1.879 10 0 ADAEHM O=c1[n-]c(C2CC2)nc2c1CSC2 134634964 343947278 /nfs/dbraw/zinc/94/72/78/343947278.db2.gz ZCCWHLXVCGWBTN-UHFFFAOYSA-N -1 3 194.259 1.394 10 0 ADAEHM CC(C)c1nc2c(c(=O)[n-]1)CSC2 134634242 343947391 /nfs/dbraw/zinc/94/73/91/343947391.db2.gz BMCJOOZRAFKUHR-UHFFFAOYSA-N -1 3 196.275 1.640 10 0 ADAEHM C[C@@H]1C/C(=C(\F)C(=O)[O-])CN1C1CC1 135379280 343960595 /nfs/dbraw/zinc/96/05/95/343960595.db2.gz OEAOFVXCHSCEOB-LPWOPMKCSA-N -1 3 199.225 1.551 10 0 ADAEHM C[C@H]1C/C(=C(\F)C(=O)[O-])CN1C1CC1 135379301 343960646 /nfs/dbraw/zinc/96/06/46/343960646.db2.gz OEAOFVXCHSCEOB-OQHQPDIQSA-N -1 3 199.225 1.551 10 0 ADAEHM COC(=O)/C=C/c1cc([O-])cc(F)c1 135398999 343961043 /nfs/dbraw/zinc/96/10/43/343961043.db2.gz XPQRSAQMEVGOHW-NSCUHMNNSA-N -1 3 196.177 1.718 10 0 ADAEHM C[C@H]1CN(/C=C/C(=O)[O-])CCS1 135387544 343961130 /nfs/dbraw/zinc/96/11/30/343961130.db2.gz RUPKDPUIVRIQBM-AIYRYJHASA-N -1 3 187.264 1.022 10 0 ADAEHM CN(/C=C/C(=O)[O-])C1CCC1 135389957 343961232 /nfs/dbraw/zinc/96/12/32/343961232.db2.gz RKTLYIFMHUVLFW-AATRIKPKSA-N -1 3 155.197 1.069 10 0 ADAEHM C[C@@H]1CN(/C=C/C(=O)[O-])CCS1 135387522 343961257 /nfs/dbraw/zinc/96/12/57/343961257.db2.gz RUPKDPUIVRIQBM-TYWZFMJISA-N -1 3 187.264 1.022 10 0 ADAEHM O=C1CCc2c([O-])cccc2O1 136820299 343982212 /nfs/dbraw/zinc/98/22/12/343982212.db2.gz JCRJJHNJLDYCQG-UHFFFAOYSA-N -1 3 164.160 1.244 10 0 ADAEHM COC(=O)Cc1cc([O-])cc(F)c1 137537337 343985953 /nfs/dbraw/zinc/98/59/53/343985953.db2.gz PKMDIVSLKFUBIS-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM O=C(N[O-])Nc1ccccc1F 137570528 343986430 /nfs/dbraw/zinc/98/64/30/343986430.db2.gz IWFBVLCWMPGLNC-UHFFFAOYSA-N -1 3 170.143 1.336 10 0 ADAEHM COc1cc([O-])c(C(C)=O)cc1F 137913596 343987186 /nfs/dbraw/zinc/98/71/86/343987186.db2.gz WXQCPGSHRIWLLF-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM CSc1nc2cccnc2c(=O)[n-]1 138234345 343988333 /nfs/dbraw/zinc/98/83/33/343988333.db2.gz HVFJQROUJRMNOB-UHFFFAOYSA-N -1 3 193.231 1.040 10 0 ADAEHM Nc1ccc(Cl)c2c([O-])coc12 138559312 343989514 /nfs/dbraw/zinc/98/95/14/343989514.db2.gz VTJUIOFTQYESMG-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM C=Cc1cc(C(=O)OC)ccc1[O-] 139189962 343993724 /nfs/dbraw/zinc/99/37/24/343993724.db2.gz MVHCCGXRYAJZHE-UHFFFAOYSA-N -1 3 178.187 1.822 10 0 ADAEHM Nc1c(Cl)ccc2occ([O-])c12 140003021 343997251 /nfs/dbraw/zinc/99/72/51/343997251.db2.gz UJBMZELPXNFGEZ-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM Nc1c(F)cc([O-])cc1Cl 140191358 343998723 /nfs/dbraw/zinc/99/87/23/343998723.db2.gz DAYXIMVBDQIHOJ-UHFFFAOYSA-N -1 3 161.563 1.767 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)CSCC2 140533898 344000523 /nfs/dbraw/zinc/00/05/23/344000523.db2.gz HLZJSDUADOYNSH-UHFFFAOYSA-N -1 3 196.275 1.122 10 0 ADAEHM CCNC(=O)Nc1ccc(N)cc1[O-] 140682560 344001189 /nfs/dbraw/zinc/00/11/89/344001189.db2.gz QGPWFDHFSAKDII-UHFFFAOYSA-N -1 3 195.222 1.116 10 0 ADAEHM CNC(=O)Nc1ccccc1[O-] 141014588 344002867 /nfs/dbraw/zinc/00/28/67/344002867.db2.gz CANPOAADIKSDQF-UHFFFAOYSA-N -1 3 166.180 1.144 10 0 ADAEHM CC(C)NC(=O)Nc1ccccc1[O-] 141019033 344003210 /nfs/dbraw/zinc/00/32/10/344003210.db2.gz CQFKLSLUZHTZDF-UHFFFAOYSA-N -1 3 194.234 1.922 10 0 ADAEHM COc1c(C)ccc2c1[N-]C(=O)C2=O 141100206 344003704 /nfs/dbraw/zinc/00/37/04/344003704.db2.gz XDEYVQQZDCIXPC-UHFFFAOYSA-N -1 3 191.186 1.138 10 0 ADAEHM O=C1C=C([O-])CC(c2nccs2)C1 141239002 344004711 /nfs/dbraw/zinc/00/47/11/344004711.db2.gz RGKDHYLDRYUUAG-UHFFFAOYSA-N -1 3 195.243 1.549 10 0 ADAEHM CCC(F)(F)C(=O)C=C(C)[O-] 141535303 344006216 /nfs/dbraw/zinc/00/62/16/344006216.db2.gz RGXAJLFPAAHZPK-UHFFFAOYSA-N -1 3 164.151 1.580 10 0 ADAEHM Cc1ccc([O-])c(Cl)c1N 142658005 344013868 /nfs/dbraw/zinc/01/38/68/344013868.db2.gz SOAWGUPWQXVDCP-UHFFFAOYSA-N -1 3 157.600 1.936 10 0 ADAEHM Nc1c(F)ccc([O-])c1F 143084490 344016541 /nfs/dbraw/zinc/01/65/41/344016541.db2.gz UDLOPGNVOXYHHF-UHFFFAOYSA-N -1 3 145.108 1.253 10 0 ADAEHM CCc1c(C(C)C)nc[n-]c1=O 143330348 344018480 /nfs/dbraw/zinc/01/84/80/344018480.db2.gz VHKMBACRCJMVKB-UHFFFAOYSA-N -1 3 166.224 1.456 10 0 ADAEHM Nc1cc([O-])cc(F)c1F 143446306 344019281 /nfs/dbraw/zinc/01/92/81/344019281.db2.gz ZQIVJVKAKQVUPL-UHFFFAOYSA-N -1 3 145.108 1.253 10 0 ADAEHM CCOc1c([O-])cncc1F 143673597 344021563 /nfs/dbraw/zinc/02/15/63/344021563.db2.gz QGEXVKYRLZJYOE-UHFFFAOYSA-N -1 3 157.144 1.325 10 0 ADAEHM [O-]c1ccc(Cl)c2cncnc12 143834485 344022480 /nfs/dbraw/zinc/02/24/80/344022480.db2.gz GJVVLNXLGXMYQC-UHFFFAOYSA-N -1 3 180.594 1.989 10 0 ADAEHM Nc1cccc(-n2ccc(=O)[n-]2)c1 144098158 344024419 /nfs/dbraw/zinc/02/44/19/344024419.db2.gz YJUMIGQEILXUHF-UHFFFAOYSA-N -1 3 175.191 1.160 10 0 ADAEHM N#CNc1ccccc1[O-] 144119010 344024541 /nfs/dbraw/zinc/02/45/41/344024541.db2.gz DVCKODWLPUTCFP-UHFFFAOYSA-N -1 3 134.138 1.285 10 0 ADAEHM C=Cc1ccc([O-])cn1 144110039 344024763 /nfs/dbraw/zinc/02/47/63/344024763.db2.gz FVITVSKDIJQCBS-UHFFFAOYSA-N -1 3 121.139 1.430 10 0 ADAEHM COCOc1ccc(C=O)c([O-])c1C 145137643 344031272 /nfs/dbraw/zinc/03/12/72/344031272.db2.gz DILHOAIJSFBZHM-UHFFFAOYSA-N -1 3 196.202 1.496 10 0 ADAEHM CCN1Cc2cccc([O-])c2O1 145799420 344036082 /nfs/dbraw/zinc/03/60/82/344036082.db2.gz CTYJGUDXWIAZCM-UHFFFAOYSA-N -1 3 165.192 1.522 10 0 ADAEHM O=C([O-])Cn1ccc2cnccc21 145842847 344036394 /nfs/dbraw/zinc/03/63/94/344036394.db2.gz MHIJYGXGQJLVJB-UHFFFAOYSA-N -1 3 176.175 1.121 10 0 ADAEHM Cc1occ(C=O)c1[S-] 146852452 344042663 /nfs/dbraw/zinc/04/26/63/344042663.db2.gz YCAQLPBRQJFQDA-UHFFFAOYSA-N -1 3 142.179 1.689 10 0 ADAEHM CN(C)C(=S)c1ccccc1[O-] 147148011 344043203 /nfs/dbraw/zinc/04/32/03/344043203.db2.gz CKMZSCLRWBRBQF-UHFFFAOYSA-N -1 3 181.260 1.629 10 0 ADAEHM Cc1cc(F)cc(F)c1[O-] 147149571 344043310 /nfs/dbraw/zinc/04/33/10/344043310.db2.gz UPTINTFSEIPPOD-UHFFFAOYSA-N -1 3 144.120 1.979 10 0 ADAEHM C[C@@H]1C/C(=C(\F)C(=O)[O-])CN1C 148127848 344048509 /nfs/dbraw/zinc/04/85/09/344048509.db2.gz LNGQLMHRFQJAEQ-VEDIPHOLSA-N -1 3 173.187 1.019 10 0 ADAEHM C[C@H]1C/C(=C(\F)C(=O)[O-])CN1C 148128068 344048654 /nfs/dbraw/zinc/04/86/54/344048654.db2.gz LNGQLMHRFQJAEQ-UNPHKUQDSA-N -1 3 173.187 1.019 10 0 ADAEHM CN(C)N=c1ncc(Cl)c[n-]1 148181466 344050205 /nfs/dbraw/zinc/05/02/05/344050205.db2.gz UOAVPFLGCJSJDB-UHFFFAOYSA-N -1 3 172.619 1.019 10 0 ADAEHM Cc1ccc(Cl)c([O-])c1N 148332634 344053023 /nfs/dbraw/zinc/05/30/23/344053023.db2.gz VYDIBXYXLSWBAU-UHFFFAOYSA-N -1 3 157.600 1.936 10 0 ADAEHM COc1cc(N)c(F)c([O-])c1 148408555 344054385 /nfs/dbraw/zinc/05/43/85/344054385.db2.gz HATRKSFUUYFAOM-UHFFFAOYSA-N -1 3 157.144 1.122 10 0 ADAEHM [O-]c1ccc(-c2cnccn2)nc1 148814261 344058943 /nfs/dbraw/zinc/05/89/43/344058943.db2.gz DBKFVLVECFOSAI-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM S=c1nnc2ccccc2[n-]1 148842063 344059837 /nfs/dbraw/zinc/05/98/37/344059837.db2.gz FNCSCJHAYCDTIR-UHFFFAOYSA-N -1 3 163.205 1.687 10 0 ADAEHM Cc1nsc([N-]c2cccnc2)n1 149472538 344066733 /nfs/dbraw/zinc/06/67/33/344066733.db2.gz ZPWWCQYOFQXVNE-UHFFFAOYSA-N -1 3 192.247 1.985 10 0 ADAEHM O=C1C=C([O-])CC([C@@H]2CCCO2)C1 149660054 344068907 /nfs/dbraw/zinc/06/89/07/344068907.db2.gz BJTAIDHDLWVUBY-JTQLQIEISA-N -1 3 182.219 1.104 10 0 ADAEHM O=C1C=C([O-])CC([C@H]2CCCO2)C1 149659871 344068940 /nfs/dbraw/zinc/06/89/40/344068940.db2.gz BJTAIDHDLWVUBY-SNVBAGLBSA-N -1 3 182.219 1.104 10 0 ADAEHM C[C@H]1CC[C@@H](C2CC(=O)C=C([O-])C2)O1 150316572 344079629 /nfs/dbraw/zinc/07/96/29/344079629.db2.gz TYZQRLXOZMYLRM-CPCISQLKSA-N -1 3 196.246 1.492 10 0 ADAEHM C[C@H]1CC[C@H](C2CC(=O)C=C([O-])C2)O1 150316166 344079795 /nfs/dbraw/zinc/07/97/95/344079795.db2.gz TYZQRLXOZMYLRM-WRWORJQWSA-N -1 3 196.246 1.492 10 0 ADAEHM C[C@@H]1CC[C@@H](C2CC(=O)C=C([O-])C2)O1 150316378 344079822 /nfs/dbraw/zinc/07/98/22/344079822.db2.gz TYZQRLXOZMYLRM-HQJQHLMTSA-N -1 3 196.246 1.492 10 0 ADAEHM CC1(C)C[C@@H]1n1c(CO)n[n-]c1=S 155643119 344080501 /nfs/dbraw/zinc/08/05/01/344080501.db2.gz LFAJIIZDSFRANZ-YFKPBYRVSA-N -1 3 199.279 1.030 10 0 ADAEHM C/C(C(=O)[O-])=C1/CCN(C)[C@@H](C)C1 156582615 344091170 /nfs/dbraw/zinc/09/11/70/344091170.db2.gz ASMMSVFLLLPXJE-MXMZYCHESA-N -1 3 183.251 1.502 10 0 ADAEHM C/C(C(=O)[O-])=C1/CCN(C)[C@H](C)C1 156582479 344091638 /nfs/dbraw/zinc/09/16/38/344091638.db2.gz ASMMSVFLLLPXJE-BDGYDECCSA-N -1 3 183.251 1.502 10 0 ADAEHM [O-]c1ccc(F)cc1-c1cncnc1 156701065 344093723 /nfs/dbraw/zinc/09/37/23/344093723.db2.gz SQEDPXCHXKYVNX-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM [O-]c1cncc(-c2cncc(F)c2)c1 156690737 344093856 /nfs/dbraw/zinc/09/38/56/344093856.db2.gz SOLXMOYKSTZCST-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM [O-]c1ccc(-c2cncnc2)cc1F 156701525 344093988 /nfs/dbraw/zinc/09/39/88/344093988.db2.gz AONGSLXUJWARCP-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM [O-]c1cc(F)cc(-c2cncnc2)c1 156700016 344094060 /nfs/dbraw/zinc/09/40/60/344094060.db2.gz ZGLXJKVNZWAVSM-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM CCn1cc(-c2ncccc2[O-])cn1 156696849 344094126 /nfs/dbraw/zinc/09/41/26/344094126.db2.gz FSLOASQDQFORRI-UHFFFAOYSA-N -1 3 189.218 1.671 10 0 ADAEHM Cn1cc(-c2ncccc2[O-])cn1 156689289 344094128 /nfs/dbraw/zinc/09/41/28/344094128.db2.gz GEKZCCIFFBLTJI-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cn1cc(-c2ccc([O-])c(F)c2)cn1 156689592 344094177 /nfs/dbraw/zinc/09/41/77/344094177.db2.gz VFURGGWKWFOMCT-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM Cn1nccc1-c1ncccc1[O-] 156744948 344094610 /nfs/dbraw/zinc/09/46/10/344094610.db2.gz QVXMCGGFBPUZID-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cn1nccc1-c1ccc([O-])c(F)c1 156745245 344094652 /nfs/dbraw/zinc/09/46/52/344094652.db2.gz MQAOOZCTRPNJOW-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM Cn1nccc1-c1cc([O-])cc(F)c1 156744178 344094665 /nfs/dbraw/zinc/09/46/65/344094665.db2.gz AHOTWDHPKDLXGE-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM Cn1nccc1-c1ccc([O-])cc1F 156744646 344094670 /nfs/dbraw/zinc/09/46/70/344094670.db2.gz BJPQFVADQCGEEU-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM CCn1nccc1-c1cncc([O-])c1 156742530 344094687 /nfs/dbraw/zinc/09/46/87/344094687.db2.gz RKYMANDVKZGBSU-UHFFFAOYSA-N -1 3 189.218 1.671 10 0 ADAEHM Cn1ccnc1-c1cncc([O-])c1 156749746 344094783 /nfs/dbraw/zinc/09/47/83/344094783.db2.gz ZCTIDCGGYNYGJO-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cn1nccc1-c1cncc([O-])c1 156744479 344094835 /nfs/dbraw/zinc/09/48/35/344094835.db2.gz XGKVGTCKKHCMKF-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM CC1(c2cc(=O)[nH][n-]2)CC1 157432163 344106916 /nfs/dbraw/zinc/10/69/16/344106916.db2.gz GAYHBKMNDTYNLY-UHFFFAOYSA-N -1 3 138.170 1.167 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)CSC2 157746019 344113058 /nfs/dbraw/zinc/11/30/58/344113058.db2.gz RSYURQXJCZSMDZ-UHFFFAOYSA-N -1 3 182.248 1.079 10 0 ADAEHM Fc1cnc(=NN2CCCCC2)[n-]c1 158586254 344129102 /nfs/dbraw/zinc/12/91/02/344129102.db2.gz LVVWFBSLHXDANF-UHFFFAOYSA-N -1 3 196.229 1.429 10 0 ADAEHM O=C([O-])[C@H]1CCC[C@@H](c2ccoc2)N1 158645750 344130152 /nfs/dbraw/zinc/13/01/52/344130152.db2.gz VXCXFTNWXKTVQX-DTWKUNHWSA-N -1 3 195.218 1.547 10 0 ADAEHM O=C([O-])[C@@H]1CCC[C@H](c2ccoc2)N1 158646222 344130170 /nfs/dbraw/zinc/13/01/70/344130170.db2.gz VXCXFTNWXKTVQX-BDAKNGLRSA-N -1 3 195.218 1.547 10 0 ADAEHM O=C([O-])[C@@H]1CCC[C@@H](c2ccoc2)N1 158646052 344130195 /nfs/dbraw/zinc/13/01/95/344130195.db2.gz VXCXFTNWXKTVQX-IUCAKERBSA-N -1 3 195.218 1.547 10 0 ADAEHM O=C([O-])[C@H]1CCC[C@H](c2ccoc2)N1 158645914 344130267 /nfs/dbraw/zinc/13/02/67/344130267.db2.gz VXCXFTNWXKTVQX-RKDXNWHRSA-N -1 3 195.218 1.547 10 0 ADAEHM Cn1nc(-c2cccs2)[n-]c1=S 158747079 344131822 /nfs/dbraw/zinc/13/18/22/344131822.db2.gz APTFCUPNYNAYBR-UHFFFAOYSA-N -1 3 197.288 1.832 10 0 ADAEHM Cn1nc(-c2ccccn2)[n-]c1=S 158745059 344131898 /nfs/dbraw/zinc/13/18/98/344131898.db2.gz WTIRRPAPMIJZJS-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM CO[C@@H](c1n[n-]c(Cl)n1)C1CC1 158916098 344134791 /nfs/dbraw/zinc/13/47/91/344134791.db2.gz RRALCRBKYVLQGU-RXMQYKEDSA-N -1 3 187.630 1.556 10 0 ADAEHM CO[C@@H](c1nnc(Cl)[n-]1)C1CC1 158916098 344134794 /nfs/dbraw/zinc/13/47/94/344134794.db2.gz RRALCRBKYVLQGU-RXMQYKEDSA-N -1 3 187.630 1.556 10 0 ADAEHM CO[C@@H](c1nc(Cl)n[n-]1)C1CC1 158916098 344134796 /nfs/dbraw/zinc/13/47/96/344134796.db2.gz RRALCRBKYVLQGU-RXMQYKEDSA-N -1 3 187.630 1.556 10 0 ADAEHM CO[C@H](c1n[n-]c(Cl)n1)C1CC1 158916229 344134901 /nfs/dbraw/zinc/13/49/01/344134901.db2.gz RRALCRBKYVLQGU-YFKPBYRVSA-N -1 3 187.630 1.556 10 0 ADAEHM CO[C@H](c1nnc(Cl)[n-]1)C1CC1 158916229 344134903 /nfs/dbraw/zinc/13/49/03/344134903.db2.gz RRALCRBKYVLQGU-YFKPBYRVSA-N -1 3 187.630 1.556 10 0 ADAEHM CO[C@H](c1nc(Cl)n[n-]1)C1CC1 158916229 344134906 /nfs/dbraw/zinc/13/49/06/344134906.db2.gz RRALCRBKYVLQGU-YFKPBYRVSA-N -1 3 187.630 1.556 10 0 ADAEHM CC[C@H](OC)c1n[n-]c(Cl)n1 158914207 344135015 /nfs/dbraw/zinc/13/50/15/344135015.db2.gz CACGONGBRIEBCD-BYPYZUCNSA-N -1 3 175.619 1.556 10 0 ADAEHM CC[C@H](OC)c1nnc(Cl)[n-]1 158914207 344135016 /nfs/dbraw/zinc/13/50/16/344135016.db2.gz CACGONGBRIEBCD-BYPYZUCNSA-N -1 3 175.619 1.556 10 0 ADAEHM CC[C@H](OC)c1nc(Cl)n[n-]1 158914207 344135017 /nfs/dbraw/zinc/13/50/17/344135017.db2.gz CACGONGBRIEBCD-BYPYZUCNSA-N -1 3 175.619 1.556 10 0 ADAEHM CC[C@@H](OC)c1n[n-]c(Cl)n1 158914350 344135082 /nfs/dbraw/zinc/13/50/82/344135082.db2.gz CACGONGBRIEBCD-SCSAIBSYSA-N -1 3 175.619 1.556 10 0 ADAEHM CC[C@@H](OC)c1nnc(Cl)[n-]1 158914350 344135083 /nfs/dbraw/zinc/13/50/83/344135083.db2.gz CACGONGBRIEBCD-SCSAIBSYSA-N -1 3 175.619 1.556 10 0 ADAEHM CC[C@@H](OC)c1nc(Cl)n[n-]1 158914350 344135085 /nfs/dbraw/zinc/13/50/85/344135085.db2.gz CACGONGBRIEBCD-SCSAIBSYSA-N -1 3 175.619 1.556 10 0 ADAEHM COC1(c2n[n-]c(Cl)n2)CCC1 158914067 344135101 /nfs/dbraw/zinc/13/51/01/344135101.db2.gz LEHJTHSTTPJAMU-UHFFFAOYSA-N -1 3 187.630 1.484 10 0 ADAEHM COC1(c2nnc(Cl)[n-]2)CCC1 158914067 344135103 /nfs/dbraw/zinc/13/51/03/344135103.db2.gz LEHJTHSTTPJAMU-UHFFFAOYSA-N -1 3 187.630 1.484 10 0 ADAEHM COC1(c2nc(Cl)n[n-]2)CCC1 158914067 344135104 /nfs/dbraw/zinc/13/51/04/344135104.db2.gz LEHJTHSTTPJAMU-UHFFFAOYSA-N -1 3 187.630 1.484 10 0 ADAEHM Cc1nc(C)c(-c2n[n-]c(=S)o2)o1 159479166 344145689 /nfs/dbraw/zinc/14/56/89/344145689.db2.gz ZVGDPEVDSXIMEV-UHFFFAOYSA-N -1 3 197.219 1.630 10 0 ADAEHM [O-]c1cc(F)cc([C@H](O)C(F)F)c1 159775213 344152062 /nfs/dbraw/zinc/15/20/62/344152062.db2.gz KPHGNEBYPWCGSP-ZETCQYMHSA-N -1 3 192.136 1.830 10 0 ADAEHM [O-]c1cc(F)cc([C@@H]2NCCS2)c1 159775503 344152077 /nfs/dbraw/zinc/15/20/77/344152077.db2.gz HEXSLCVRBOXVKL-SECBINFHSA-N -1 3 199.250 1.866 10 0 ADAEHM [O-]c1cc(F)cc([C@H]2NCCS2)c1 159775637 344152108 /nfs/dbraw/zinc/15/21/08/344152108.db2.gz HEXSLCVRBOXVKL-VIFPVBQESA-N -1 3 199.250 1.866 10 0 ADAEHM [O-]c1cc(F)cc(/C=C/CO)c1 159792200 344152119 /nfs/dbraw/zinc/15/21/19/344152119.db2.gz XLFGBPZDZWMGMV-OWOJBTEDSA-N -1 3 168.167 1.537 10 0 ADAEHM [O-]c1cc(F)cc(CCO)c1 159786709 344152158 /nfs/dbraw/zinc/15/21/58/344152158.db2.gz CLWJXRYXNJEPAD-UHFFFAOYSA-N -1 3 156.156 1.066 10 0 ADAEHM [O-]c1cc(F)cc([C@@H](O)C(F)F)c1 159775348 344152211 /nfs/dbraw/zinc/15/22/11/344152211.db2.gz KPHGNEBYPWCGSP-SSDOTTSWSA-N -1 3 192.136 1.830 10 0 ADAEHM C/C(=C/c1cc([O-])cc(F)c1)CO 159792485 344152248 /nfs/dbraw/zinc/15/22/48/344152248.db2.gz XONIUGSYMKBJLU-UQCOIBPSSA-N -1 3 182.194 1.927 10 0 ADAEHM C[C@@H](O)/C=C/c1cc([O-])cc(F)c1 159860329 344153446 /nfs/dbraw/zinc/15/34/46/344153446.db2.gz HRKRLZRVTNMQRP-TYWZFMJISA-N -1 3 182.194 1.925 10 0 ADAEHM C[C@H](O)/C=C/c1cc([O-])cc(F)c1 159860199 344153504 /nfs/dbraw/zinc/15/35/04/344153504.db2.gz HRKRLZRVTNMQRP-AIYRYJHASA-N -1 3 182.194 1.925 10 0 ADAEHM Cc1ccc(Cl)c2[nH][n-]c(=O)c12 160274474 344161490 /nfs/dbraw/zinc/16/14/90/344161490.db2.gz XXQPXFUFTWJAEB-UHFFFAOYSA-N -1 3 182.610 1.818 10 0 ADAEHM Cc1cc(-c2nn(C)c(=S)[n-]2)co1 161532917 344192961 /nfs/dbraw/zinc/19/29/61/344192961.db2.gz LHELIZWRBRUCOX-UHFFFAOYSA-N -1 3 195.247 1.672 10 0 ADAEHM O=C1C=C([O-])CC(c2cncs2)C1 161846132 344199217 /nfs/dbraw/zinc/19/92/17/344199217.db2.gz XTIRWDNEBVFJCM-UHFFFAOYSA-N -1 3 195.243 1.549 10 0 ADAEHM CN(C)Cc1cccc(N)c1C(=O)[O-] 162478742 344209067 /nfs/dbraw/zinc/20/90/67/344209067.db2.gz IYUJPSDALAJXKM-UHFFFAOYSA-N -1 3 194.234 1.029 10 0 ADAEHM COC(OC)c1csc(=O)[n-]1 162593469 344210353 /nfs/dbraw/zinc/21/03/53/344210353.db2.gz NRACUHKUMCLSRX-UHFFFAOYSA-N -1 3 175.209 1.140 10 0 ADAEHM C[C@H](CN1CC(=O)[N-]C1=O)C(C)(C)C 163182933 344219583 /nfs/dbraw/zinc/21/95/83/344219583.db2.gz ZSYKOELJBQJUBW-SSDOTTSWSA-N -1 3 198.266 1.220 10 0 ADAEHM CCc1nnc(=S)[n-]c1CC 163149154 344219678 /nfs/dbraw/zinc/21/96/78/344219678.db2.gz PLWVRPHRJJMHNS-UHFFFAOYSA-N -1 3 169.253 1.285 10 0 ADAEHM C[C@@H](CN1CC(=O)[N-]C1=O)C(C)(C)C 163182821 344219876 /nfs/dbraw/zinc/21/98/76/344219876.db2.gz ZSYKOELJBQJUBW-ZETCQYMHSA-N -1 3 198.266 1.220 10 0 ADAEHM COc1nc2cc(F)cc(F)c2[n-]1 163978095 344234328 /nfs/dbraw/zinc/23/43/28/344234328.db2.gz RZTUGEGJCGTRQX-UHFFFAOYSA-N -1 3 184.145 1.850 10 0 ADAEHM COc1nc2c(F)cc(F)cc2[n-]1 163978095 344234332 /nfs/dbraw/zinc/23/43/32/344234332.db2.gz RZTUGEGJCGTRQX-UHFFFAOYSA-N -1 3 184.145 1.850 10 0 ADAEHM O=Cc1nc2cc(F)cc(F)c2[n-]1 164014184 344235108 /nfs/dbraw/zinc/23/51/08/344235108.db2.gz OAAYKJIYTYVNSI-UHFFFAOYSA-N -1 3 182.129 1.654 10 0 ADAEHM O=Cc1nc2c(F)cc(F)cc2[n-]1 164014184 344235109 /nfs/dbraw/zinc/23/51/09/344235109.db2.gz OAAYKJIYTYVNSI-UHFFFAOYSA-N -1 3 182.129 1.654 10 0 ADAEHM O=C(c1ccccc1[O-])N1CCCO1 164341358 344242156 /nfs/dbraw/zinc/24/21/56/344242156.db2.gz PSRBOXMBBWQJRA-UHFFFAOYSA-N -1 3 193.202 1.170 10 0 ADAEHM c1n[n-]nc1-c1nc(C2CC2)cs1 164716059 344250398 /nfs/dbraw/zinc/25/03/98/344250398.db2.gz YSYHVFCHZJTWFA-UHFFFAOYSA-N -1 3 192.247 1.806 10 0 ADAEHM CCc1csc(-c2cn[n-]n2)n1 164727188 344250821 /nfs/dbraw/zinc/25/08/21/344250821.db2.gz IWSDFWYCLCHZNB-UHFFFAOYSA-N -1 3 180.236 1.491 10 0 ADAEHM Cc1cnc(-c2cn[n-]n2)s1 164754596 344251603 /nfs/dbraw/zinc/25/16/03/344251603.db2.gz CVLWJHBMDMFPFV-UHFFFAOYSA-N -1 3 166.209 1.237 10 0 ADAEHM CCc1cnc(-c2cn[n-]n2)s1 164774461 344252251 /nfs/dbraw/zinc/25/22/51/344252251.db2.gz HZWUJRIHWRDJNN-UHFFFAOYSA-N -1 3 180.236 1.491 10 0 ADAEHM NN=c1[n-]c(Cl)cs1 164913957 344254276 /nfs/dbraw/zinc/25/42/76/344254276.db2.gz KYZWWPAMXCRPOK-UHFFFAOYSA-N -1 3 149.606 1.082 10 0 ADAEHM Cc1ccncc1-c1nc(Cl)n[n-]1 164919414 344254703 /nfs/dbraw/zinc/25/47/03/344254703.db2.gz ZZHWDBFRKUVOAQ-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1nc(NC(C)C)cc(=O)[n-]1 165164486 344258897 /nfs/dbraw/zinc/25/88/97/344258897.db2.gz LAXFPXLWPJRFNU-UHFFFAOYSA-N -1 3 167.212 1.311 10 0 ADAEHM CC(C)[C@@H](C)Nc1cc(=O)[n-]cn1 165163226 344258996 /nfs/dbraw/zinc/25/89/96/344258996.db2.gz RCENZDCIOBOQSV-SSDOTTSWSA-N -1 3 181.239 1.226 10 0 ADAEHM CC(C)(C)CNc1cc(=O)[n-]cn1 165211675 344260153 /nfs/dbraw/zinc/26/01/53/344260153.db2.gz YTWCAKCCYFGUEJ-UHFFFAOYSA-N -1 3 181.239 1.228 10 0 ADAEHM Cc1nc(N[C@H]2C[C@H]2C)cc(=O)[n-]1 165250348 344260417 /nfs/dbraw/zinc/26/04/17/344260417.db2.gz CVHQONUNEGFBSJ-VDTYLAMSSA-N -1 3 179.223 1.311 10 0 ADAEHM Cc1nc(N[C@H]2C[C@@H]2C)cc(=O)[n-]1 165250106 344260535 /nfs/dbraw/zinc/26/05/35/344260535.db2.gz CVHQONUNEGFBSJ-FSPLSTOPSA-N -1 3 179.223 1.311 10 0 ADAEHM Cc1nc(N[C@@H]2C[C@@H]2C)cc(=O)[n-]1 165249981 344260541 /nfs/dbraw/zinc/26/05/41/344260541.db2.gz CVHQONUNEGFBSJ-CAHLUQPWSA-N -1 3 179.223 1.311 10 0 ADAEHM Cc1nc(N[C@@H]2C[C@H]2C)cc(=O)[n-]1 165250236 344260647 /nfs/dbraw/zinc/26/06/47/344260647.db2.gz CVHQONUNEGFBSJ-IYSWYEEDSA-N -1 3 179.223 1.311 10 0 ADAEHM CCC(C)(C)Nc1cc(=O)[n-]cn1 165349145 344262704 /nfs/dbraw/zinc/26/27/04/344262704.db2.gz DAVWPMNOTPSSDI-UHFFFAOYSA-N -1 3 181.239 1.370 10 0 ADAEHM Cc1nc(NC(C)(C)C)cc(=O)[n-]1 165408584 344263037 /nfs/dbraw/zinc/26/30/37/344263037.db2.gz OVOUOXIJFOHMEM-UHFFFAOYSA-N -1 3 181.239 1.701 10 0 ADAEHM CCc1nc(N[C@@H](C)CC)cc(=O)[n-]1 165700301 344267892 /nfs/dbraw/zinc/26/78/92/344267892.db2.gz LWZOMYCIQNGNKR-ZETCQYMHSA-N -1 3 195.266 1.543 10 0 ADAEHM CCc1nc(N[C@H](C)CC)cc(=O)[n-]1 165700440 344267926 /nfs/dbraw/zinc/26/79/26/344267926.db2.gz LWZOMYCIQNGNKR-SSDOTTSWSA-N -1 3 195.266 1.543 10 0 ADAEHM CCc1nc(NC(C)C)cc(=O)[n-]1 165698052 344268014 /nfs/dbraw/zinc/26/80/14/344268014.db2.gz LMTPDEZYFUIVFW-UHFFFAOYSA-N -1 3 181.239 1.153 10 0 ADAEHM CCc1nc(N[C@@H]2C[C@H]2C)cc(=O)[n-]1 165800938 344270126 /nfs/dbraw/zinc/27/01/26/344270126.db2.gz PJZYCVBNPUOAJC-RNFRBKRXSA-N -1 3 193.250 1.153 10 0 ADAEHM CCc1nc(N[C@H]2C[C@@H]2C)cc(=O)[n-]1 165800817 344270147 /nfs/dbraw/zinc/27/01/47/344270147.db2.gz PJZYCVBNPUOAJC-BQBZGAKWSA-N -1 3 193.250 1.153 10 0 ADAEHM CCc1nc(N[C@@H]2C[C@@H]2C)cc(=O)[n-]1 165800682 344270389 /nfs/dbraw/zinc/27/03/89/344270389.db2.gz PJZYCVBNPUOAJC-NKWVEPMBSA-N -1 3 193.250 1.153 10 0 ADAEHM c1ncc2nc(-c3ccon3)[n-]c2n1 165859837 344271505 /nfs/dbraw/zinc/27/15/05/344271505.db2.gz JLTIDWLLKZZAFX-UHFFFAOYSA-N -1 3 187.162 1.008 10 0 ADAEHM Cc1nc(Nn2cccc2)cc(=O)[n-]1 165860843 344271672 /nfs/dbraw/zinc/27/16/72/344271672.db2.gz CNHAKAKKDAWWKM-UHFFFAOYSA-N -1 3 190.206 1.167 10 0 ADAEHM CCC1(Nc2cc(=O)[n-]cn2)CCC1 165943436 344272679 /nfs/dbraw/zinc/27/26/79/344272679.db2.gz UVUWJJKIQAQJKR-UHFFFAOYSA-N -1 3 193.250 1.515 10 0 ADAEHM CCNc1cc(C(=O)[O-])cc(C)n1 166399675 344280679 /nfs/dbraw/zinc/28/06/79/344280679.db2.gz LSXNWGMYJQBQLB-UHFFFAOYSA-N -1 3 180.207 1.520 10 0 ADAEHM COc1cc(F)cc2c(=O)[nH][n-]c12 166593000 344284788 /nfs/dbraw/zinc/28/47/88/344284788.db2.gz JUGPCOPBFKTDQD-UHFFFAOYSA-N -1 3 182.154 1.004 10 0 ADAEHM Cc1ccc(F)c2[nH][n-]c(=O)c12 166583330 344284827 /nfs/dbraw/zinc/28/48/27/344284827.db2.gz CJKIXNPUCAMYDT-UHFFFAOYSA-N -1 3 166.155 1.304 10 0 ADAEHM COc1ccc(C)c2c(=O)[nH][n-]c12 166579704 344285101 /nfs/dbraw/zinc/28/51/01/344285101.db2.gz RMGHQNVGGFDSIB-UHFFFAOYSA-N -1 3 178.191 1.173 10 0 ADAEHM COc1cc(C)c2[nH][n-]c(=O)c2c1 166594019 344285485 /nfs/dbraw/zinc/28/54/85/344285485.db2.gz YRIPFFSYCZBZDV-UHFFFAOYSA-N -1 3 178.191 1.173 10 0 ADAEHM Cc1cc(Cl)cc2[nH][n-]c(=O)c12 166595560 344285511 /nfs/dbraw/zinc/28/55/11/344285511.db2.gz ORMGERBZPJPGTN-UHFFFAOYSA-N -1 3 182.610 1.818 10 0 ADAEHM C[C@H]1C[C@@H]1Cn1ccc(=O)[n-]c1=S 167281389 344301800 /nfs/dbraw/zinc/30/18/00/344301800.db2.gz PAZLICWSQOPKCE-NKWVEPMBSA-N -1 3 196.275 1.188 10 0 ADAEHM C[C@@H]1C[C@@H]1Cn1ccc(=O)[n-]c1=S 167281281 344301837 /nfs/dbraw/zinc/30/18/37/344301837.db2.gz PAZLICWSQOPKCE-RNFRBKRXSA-N -1 3 196.275 1.188 10 0 ADAEHM C[C@H]1C[C@H]1Cn1ccc(=O)[n-]c1=S 167281594 344302001 /nfs/dbraw/zinc/30/20/01/344302001.db2.gz PAZLICWSQOPKCE-BQBZGAKWSA-N -1 3 196.275 1.188 10 0 ADAEHM C[C@@H]1C[C@H]1Cn1ccc(=O)[n-]c1=S 167281484 344302059 /nfs/dbraw/zinc/30/20/59/344302059.db2.gz PAZLICWSQOPKCE-RQJHMYQMSA-N -1 3 196.275 1.188 10 0 ADAEHM Nc1ccnc(Br)c1[O-] 167747557 344313564 /nfs/dbraw/zinc/31/35/64/344313564.db2.gz HPQFFWLPUAAAGR-UHFFFAOYSA-N -1 3 189.012 1.132 10 0 ADAEHM O=C([O-])C1CN([C@@H]2C=CCCC2)C1 167804558 344314469 /nfs/dbraw/zinc/31/44/69/344314469.db2.gz FSVALXJKXPYVDK-SECBINFHSA-N -1 3 181.235 1.112 10 0 ADAEHM O=C([O-])C1CN([C@H]2C=CCCC2)C1 167804460 344314444 /nfs/dbraw/zinc/31/44/44/344314444.db2.gz FSVALXJKXPYVDK-VIFPVBQESA-N -1 3 181.235 1.112 10 0 ADAEHM COc1cccc([O-])c1NC(C)=O 167902019 344316452 /nfs/dbraw/zinc/31/64/52/344316452.db2.gz TYPKOZGUGCPSGX-UHFFFAOYSA-N -1 3 181.191 1.359 10 0 ADAEHM Cc1cc(N)c(Cl)c([O-])c1 168034000 344319632 /nfs/dbraw/zinc/31/96/32/344319632.db2.gz QCGQSCHPRZJEAK-UHFFFAOYSA-N -1 3 157.600 1.936 10 0 ADAEHM NC(=O)c1cc([O-])cc(Cl)c1 168211065 344324833 /nfs/dbraw/zinc/32/48/33/344324833.db2.gz ILYOXYCUUMEOFA-UHFFFAOYSA-N -1 3 171.583 1.145 10 0 in-vitro ADAEHM O=c1[nH]cc([O-])c2ccc(Cl)cc12 168596983 344333294 /nfs/dbraw/zinc/33/32/94/344333294.db2.gz GVFFLRYFKQMABK-UHFFFAOYSA-N -1 3 195.605 1.887 10 0 ADAEHM O=C([O-])C1(CNc2ccncc2)CC1 168602549 344333503 /nfs/dbraw/zinc/33/35/03/344333503.db2.gz ZUNWVEQHNPUULK-UHFFFAOYSA-N -1 3 192.218 1.358 10 0 ADAEHM COC(=N)c1ccc([O-])cc1F 168667945 344334422 /nfs/dbraw/zinc/33/44/22/344334422.db2.gz HHYOOQWSOYBRBW-UHFFFAOYSA-N -1 3 169.155 1.503 10 0 ADAEHM COC(=O)Nc1ccc(N)cc1[O-] 168742116 344336341 /nfs/dbraw/zinc/33/63/41/344336341.db2.gz UWLZWSDKLVOJTD-UHFFFAOYSA-N -1 3 182.179 1.153 10 0 ADAEHM COc1ccccc1O[N-]C(C)=O 168973567 344341595 /nfs/dbraw/zinc/34/15/95/344341595.db2.gz CVHHTMPXCYSBNC-UHFFFAOYSA-N -1 3 181.191 1.125 10 0 ADAEHM Cn1[n-]c(C(C)(C)C)c(N)c1=O 169086791 344344352 /nfs/dbraw/zinc/34/43/52/344344352.db2.gz REFNGPZLABMLTK-UHFFFAOYSA-N -1 3 169.228 1.005 10 0 ADAEHM CCc1[n-]n(C(C)C)c(=O)c1N 169092821 344344363 /nfs/dbraw/zinc/34/43/63/344344363.db2.gz MDQWZDXLMLXHLM-UHFFFAOYSA-N -1 3 169.228 1.314 10 0 ADAEHM CC(C)Cn1[n-]c(C(C)C)c(N)c1=O 169089801 344344424 /nfs/dbraw/zinc/34/44/24/344344424.db2.gz DQOXTHONZWVEQD-UHFFFAOYSA-N -1 3 197.282 1.950 10 0 ADAEHM CCCc1[n-]n(C(C)(C)C)c(=O)c1N 169088861 344344439 /nfs/dbraw/zinc/34/44/39/344344439.db2.gz KSZJARMBFNJWOU-UHFFFAOYSA-N -1 3 197.282 1.878 10 0 ADAEHM CC(C)Cc1[n-]n(C(C)C)c(=O)c1N 169093001 344344499 /nfs/dbraw/zinc/34/44/99/344344499.db2.gz MIGIOSICYOXRNE-UHFFFAOYSA-N -1 3 197.282 1.950 10 0 ADAEHM CC(C)n1[n-]c(C2CC2)c(N)c1=O 169093094 344344553 /nfs/dbraw/zinc/34/45/53/344344553.db2.gz CDFBGOKYTDFSIB-UHFFFAOYSA-N -1 3 181.239 1.629 10 0 ADAEHM CCn1[n-]c(C(C)(C)C)c(N)c1=O 169093376 344344563 /nfs/dbraw/zinc/34/45/63/344344563.db2.gz AFYARUHVHJLNSW-UHFFFAOYSA-N -1 3 183.255 1.488 10 0 ADAEHM CC(C)c1[n-]n(C(C)C)c(=O)c1N 169092701 344344617 /nfs/dbraw/zinc/34/46/17/344344617.db2.gz CKORDIFYRFOHEG-UHFFFAOYSA-N -1 3 183.255 1.875 10 0 ADAEHM Cc1[n-]n(CC(C)C)c(=O)c1N 169089528 344344667 /nfs/dbraw/zinc/34/46/67/344344667.db2.gz FCLIALCPDCSTFM-UHFFFAOYSA-N -1 3 169.228 1.135 10 0 ADAEHM CC(C)Cn1[n-]c(C2CC2)c(N)c1=O 169090181 344344709 /nfs/dbraw/zinc/34/47/09/344344709.db2.gz LOCZTQPFMWEFON-UHFFFAOYSA-N -1 3 195.266 1.704 10 0 ADAEHM CCCc1[n-]n(C(C)C)c(=O)c1N 169092495 344344754 /nfs/dbraw/zinc/34/47/54/344344754.db2.gz OKOXMMQUYOERPY-UHFFFAOYSA-N -1 3 183.255 1.704 10 0 ADAEHM CCn1[n-]c(C(C)C)c(N)c1=O 169093464 344344766 /nfs/dbraw/zinc/34/47/66/344344766.db2.gz JWNLGFWHYHZYBC-UHFFFAOYSA-N -1 3 169.228 1.314 10 0 ADAEHM CCc1[n-]n(C(C)(C)C)c(=O)c1N 169089141 344344799 /nfs/dbraw/zinc/34/47/99/344344799.db2.gz FMZWISFZZODNTQ-UHFFFAOYSA-N -1 3 183.255 1.488 10 0 ADAEHM CCCn1[n-]c(C(C)C)c(N)c1=O 169094120 344345141 /nfs/dbraw/zinc/34/51/41/344345141.db2.gz CDXYEEQBSGGGEM-UHFFFAOYSA-N -1 3 183.255 1.704 10 0 ADAEHM CCc1[n-]n([C@@H](C)C2CC2)c(=O)c1N 169098729 344345148 /nfs/dbraw/zinc/34/51/48/344345148.db2.gz WULYQWVYIFLNNJ-LURJTMIESA-N -1 3 195.266 1.704 10 0 ADAEHM CC[C@@H](C)n1[n-]c(C)c(N)c1=O 169096319 344345160 /nfs/dbraw/zinc/34/51/60/344345160.db2.gz UWPOZLZPJPEDGQ-RXMQYKEDSA-N -1 3 169.228 1.450 10 0 ADAEHM CCc1[n-]n([C@H](C)C2CC2)c(=O)c1N 169098803 344345165 /nfs/dbraw/zinc/34/51/65/344345165.db2.gz WULYQWVYIFLNNJ-ZCFIWIBFSA-N -1 3 195.266 1.704 10 0 ADAEHM CCn1[n-]c(CC(C)C)c(N)c1=O 169093740 344345196 /nfs/dbraw/zinc/34/51/96/344345196.db2.gz QHBGTPGLOFQFMY-UHFFFAOYSA-N -1 3 183.255 1.389 10 0 ADAEHM CCn1[n-]c(C2CC2)c(N)c1=O 169093830 344345206 /nfs/dbraw/zinc/34/52/06/344345206.db2.gz GKEYEXOUQNHIDF-UHFFFAOYSA-N -1 3 167.212 1.068 10 0 ADAEHM Cc1[n-]n([C@H](C)C2CC2)c(=O)c1N 169098267 344345217 /nfs/dbraw/zinc/34/52/17/344345217.db2.gz NIKHJXYQFATYCO-ZCFIWIBFSA-N -1 3 181.239 1.450 10 0 ADAEHM Cc1[n-]n([C@@H](C)C2CC2)c(=O)c1N 169098183 344345222 /nfs/dbraw/zinc/34/52/22/344345222.db2.gz NIKHJXYQFATYCO-LURJTMIESA-N -1 3 181.239 1.450 10 0 ADAEHM Cc1[n-]n(C2CCCC2)c(=O)c1N 169094577 344345317 /nfs/dbraw/zinc/34/53/17/344345317.db2.gz JUAZFEKHYIXPRU-UHFFFAOYSA-N -1 3 181.239 1.594 10 0 ADAEHM CC[C@H](C)n1[n-]c(C)c(N)c1=O 169096412 344345354 /nfs/dbraw/zinc/34/53/54/344345354.db2.gz UWPOZLZPJPEDGQ-YFKPBYRVSA-N -1 3 169.228 1.450 10 0 ADAEHM O=C[N-]C(=O)c1cccc(Cl)c1 169154748 344347285 /nfs/dbraw/zinc/34/72/85/344347285.db2.gz IBVJXVPOEUXYAP-UHFFFAOYSA-N -1 3 183.594 1.226 10 0 ADAEHM O=C([O-])CN[C@H]1CCCc2occc21 169194466 344348205 /nfs/dbraw/zinc/34/82/05/344348205.db2.gz DLWIGJJLXNFUEY-QMMMGPOBSA-N -1 3 195.218 1.331 10 0 ADAEHM O=C([O-])CN[C@@H]1CCCc2occc21 169194392 344348268 /nfs/dbraw/zinc/34/82/68/344348268.db2.gz DLWIGJJLXNFUEY-MRVPVSSYSA-N -1 3 195.218 1.331 10 0 ADAEHM CC1(C)N([O-])C(=O)N(O)C1(C)C 169533268 344350761 /nfs/dbraw/zinc/35/07/61/344350761.db2.gz ZMFWHBRLHWLCBH-UHFFFAOYSA-N -1 3 174.200 1.060 10 0 ADAEHM C[Si](C)(C)c1cccc(C=O)c1[O-] 196045321 344355412 /nfs/dbraw/zinc/35/54/12/344355412.db2.gz DQBGYBLKBKKGOK-UHFFFAOYSA-N -1 3 194.306 1.750 10 0 ADAEHM C[Si](C)(C)c1ccc([O-])c(C=O)c1 196744348 344358912 /nfs/dbraw/zinc/35/89/12/344358912.db2.gz CVPZDXXXGMRHDQ-UHFFFAOYSA-N -1 3 194.306 1.750 10 0 ADAEHM Cc1ccc(C(N)=O)c([O-])c1C 204010482 344368653 /nfs/dbraw/zinc/36/86/53/344368653.db2.gz HCHJPDNFJNYYQN-UHFFFAOYSA-N -1 3 165.192 1.108 10 0 ADAEHM CCc1[n-]c(=O)nc2ccccc12 205284955 344371164 /nfs/dbraw/zinc/37/11/64/344371164.db2.gz MHZOIALILQZOQL-UHFFFAOYSA-N -1 3 174.203 1.486 10 0 ADAEHM COc1cc(N)cc([O-])c1Cl 214070435 344382129 /nfs/dbraw/zinc/38/21/29/344382129.db2.gz ZEQXCGGIIFTDFZ-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM Cc1ccc(F)c(C(=O)[N-]C#N)c1F 214868895 344383791 /nfs/dbraw/zinc/38/37/91/344383791.db2.gz MHVRUEDILHPEGW-UHFFFAOYSA-N -1 3 196.156 1.484 10 0 ADAEHM CC(=O)c1c(C)[n-]sc1=NN(C)C 215176503 344386852 /nfs/dbraw/zinc/38/68/52/344386852.db2.gz NYJNUASQJBMIRD-UHFFFAOYSA-N -1 3 199.279 1.543 10 0 ADAEHM CC(C)[S@@](=O)Nc1ccccc1[O-] 215851485 344393630 /nfs/dbraw/zinc/39/36/30/344393630.db2.gz KDVJRVRQOAZCNB-CYBMUJFWSA-N -1 3 199.275 1.876 10 0 ADAEHM CC(C)[S@](=O)Nc1ccccc1[O-] 215851528 344393709 /nfs/dbraw/zinc/39/37/09/344393709.db2.gz KDVJRVRQOAZCNB-ZDUSSCGKSA-N -1 3 199.275 1.876 10 0 ADAEHM COC(=O)/C=C/c1cccc(F)c1[O-] 218102431 344409856 /nfs/dbraw/zinc/40/98/56/344409856.db2.gz BDGGDHSLOCKLKD-AATRIKPKSA-N -1 3 196.177 1.718 10 0 ADAEHM Cc1cc([O-])c(F)c(N)c1F 218868127 344417366 /nfs/dbraw/zinc/41/73/66/344417366.db2.gz ABEQAJQYQBMJMO-UHFFFAOYSA-N -1 3 159.135 1.561 10 0 ADAEHM Cc1cc(-c2nnn[n-]2)cc(Cl)n1 218996135 344419302 /nfs/dbraw/zinc/41/93/02/344419302.db2.gz ZZLNOXALRGDMQS-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1cc(-c2nn[n-]n2)cc(Cl)n1 218996135 344419304 /nfs/dbraw/zinc/41/93/04/344419304.db2.gz ZZLNOXALRGDMQS-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM CCCNC(=O)c1cc([O-])cc(O)c1 220355112 344431982 /nfs/dbraw/zinc/43/19/82/344431982.db2.gz FHOYJHYVAAZVNY-UHFFFAOYSA-N -1 3 195.218 1.238 10 0 ADAEHM CCN(C)C(=O)c1cc(O)ccc1[O-] 220404454 344432229 /nfs/dbraw/zinc/43/22/29/344432229.db2.gz ZZFGGOZMKMPRPI-UHFFFAOYSA-N -1 3 195.218 1.190 10 0 ADAEHM N#CNc1cccc([O-])c1 220608543 344433954 /nfs/dbraw/zinc/43/39/54/344433954.db2.gz IROZDYBLBLZIIX-UHFFFAOYSA-N -1 3 134.138 1.285 10 0 ADAEHM [O-]c1csc(NC2CC2)n1 220781053 344435492 /nfs/dbraw/zinc/43/54/92/344435492.db2.gz QQMPWWDHDZEJAK-UHFFFAOYSA-N -1 3 156.210 1.423 10 0 ADAEHM Cc1cc(Cl)cc([C@@H](N)C(=O)[O-])c1 220804151 344435946 /nfs/dbraw/zinc/43/59/46/344435946.db2.gz WIFAUYOHTRCICA-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM CC(=O)c1cc([O-])c(F)cc1N 221045751 344437636 /nfs/dbraw/zinc/43/76/36/344437636.db2.gz OAFLGJYQMFNDHK-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM COC(=O)Cc1cccc(F)c1[O-] 221155364 344438737 /nfs/dbraw/zinc/43/87/37/344438737.db2.gz CXLXZFORZFAJTD-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM COC(=O)c1c([O-])cncc1Cl 221238089 344440614 /nfs/dbraw/zinc/44/06/14/344440614.db2.gz TZHCNJPOHWZMRM-UHFFFAOYSA-N -1 3 187.582 1.227 10 0 ADAEHM CCC(CC)=NNc1cc(=O)[n-]cn1 222073464 344448588 /nfs/dbraw/zinc/44/85/88/344448588.db2.gz BYCZCXSQOQSQPC-UHFFFAOYSA-N -1 3 194.238 1.358 10 0 ADAEHM CCOc1c([O-])ccc(C=O)c1N 222334612 344451030 /nfs/dbraw/zinc/45/10/30/344451030.db2.gz HGLFHWPOXOIDND-UHFFFAOYSA-N -1 3 181.191 1.186 10 0 ADAEHM CCc1cc(OC)cc([O-])c1C=O 222894988 344455230 /nfs/dbraw/zinc/45/52/30/344455230.db2.gz KMRYGCPBGMLIMF-UHFFFAOYSA-N -1 3 180.203 1.776 10 0 ADAEHM CC1CCC(Cc2nnn[n-]2)CC1 222979648 344455411 /nfs/dbraw/zinc/45/54/11/344455411.db2.gz KAJQNJZYMYYROG-UHFFFAOYSA-N -1 3 180.255 1.569 10 0 ADAEHM CC1CCC(Cc2nn[n-]n2)CC1 222979648 344455412 /nfs/dbraw/zinc/45/54/12/344455412.db2.gz KAJQNJZYMYYROG-UHFFFAOYSA-N -1 3 180.255 1.569 10 0 ADAEHM CC(C)(C)OC(=O)n1cc(O)cc1[O-] 223648270 344461431 /nfs/dbraw/zinc/46/14/31/344461431.db2.gz VNMONXKYHFLGDC-UHFFFAOYSA-N -1 3 199.206 1.683 10 0 ADAEHM CC(C)NC(=O)c1cc(O)ccc1[O-] 224743553 344473015 /nfs/dbraw/zinc/47/30/15/344473015.db2.gz ICVYGFZJCKDHEN-UHFFFAOYSA-N -1 3 195.218 1.236 10 0 ADAEHM Cc1ccccc1-c1n[n-]c(=O)s1 225369234 344480375 /nfs/dbraw/zinc/48/03/75/344480375.db2.gz RKPLUHQBGWAYLC-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM [O-]c1csc(N2CCCCC2)n1 226097909 344492636 /nfs/dbraw/zinc/49/26/36/344492636.db2.gz XEHVYCJBMFRRPP-UHFFFAOYSA-N -1 3 184.264 1.839 10 0 ADAEHM CNC(=O)c1ccc([O-])cc1C 226190688 344494431 /nfs/dbraw/zinc/49/44/31/344494431.db2.gz GTAUBIXIRISIEG-UHFFFAOYSA-N -1 3 165.192 1.060 10 0 ADAEHM C[C@@H]1CCN1[C@@H]1C=C[C@@H](C(=O)[O-])C1 226291871 344498183 /nfs/dbraw/zinc/49/81/83/344498183.db2.gz MRHUFRWBZBLMDJ-IWSPIJDZSA-N -1 3 181.235 1.110 10 0 ADAEHM Cc1cc2c([O-])coc2cc1F 226426675 344502622 /nfs/dbraw/zinc/50/26/22/344502622.db2.gz CRTBGPQVGVSPBM-UHFFFAOYSA-N -1 3 166.151 1.709 10 0 ADAEHM Nc1[n-]c(=O)c(Cl)cc1Cl 226626672 344509052 /nfs/dbraw/zinc/50/90/52/344509052.db2.gz YLDAAPVMPFNHCD-UHFFFAOYSA-N -1 3 179.006 1.676 10 0 ADAEHM NNc1[n-]c(=O)c(Cl)cc1Cl 226654158 344509728 /nfs/dbraw/zinc/50/97/28/344509728.db2.gz ANYORXANRQHXLJ-UHFFFAOYSA-N -1 3 194.021 1.380 10 0 ADAEHM S=c1ccc(-c2ccc[nH]2)n[n-]1 227558184 344535035 /nfs/dbraw/zinc/53/50/35/344535035.db2.gz ZKNJRIXHEWTCAU-UHFFFAOYSA-N -1 3 177.232 1.760 10 0 ADAEHM Cc1sccc1C(=O)c1c[n-]nn1 227774839 344547204 /nfs/dbraw/zinc/54/72/04/344547204.db2.gz WQSGBDSHCWVTMD-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1sccc1C(=O)c1cn[n-]n1 227774839 344547206 /nfs/dbraw/zinc/54/72/06/344547206.db2.gz WQSGBDSHCWVTMD-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM CC(C)n1c([C@@H](C)O)n[n-]c1=S 228203930 344559558 /nfs/dbraw/zinc/55/95/58/344559558.db2.gz GPJZGHBTXWNGAP-RXMQYKEDSA-N -1 3 187.268 1.201 10 0 ADAEHM O=C1CN(CCC2=CCCC2)C(=O)[N-]1 228632167 344564700 /nfs/dbraw/zinc/56/47/00/344564700.db2.gz AHCNLDKACSZZJY-UHFFFAOYSA-N -1 3 194.234 1.039 10 0 ADAEHM CC1(n2ccc(=O)[n-]c2=S)CC1 228921488 344575043 /nfs/dbraw/zinc/57/50/43/344575043.db2.gz LZTXSBBKMSVYND-UHFFFAOYSA-N -1 3 182.248 1.041 10 0 ADAEHM CC1(n2ccc(=O)[n-]c2=S)CCC1 228921504 344575122 /nfs/dbraw/zinc/57/51/22/344575122.db2.gz AVHDOHLDCKXRQE-UHFFFAOYSA-N -1 3 196.275 1.431 10 0 ADAEHM CC(C)=CCn1ccc(=O)[n-]c1=S 229023666 344579795 /nfs/dbraw/zinc/57/97/95/344579795.db2.gz XQDATEJENDLKLV-UHFFFAOYSA-N -1 3 196.275 1.498 10 0 ADAEHM NN=c1[n-]c(-c2cncs2)cs1 229154172 344584054 /nfs/dbraw/zinc/58/40/54/344584054.db2.gz HVURHWLPHWUPSI-UHFFFAOYSA-N -1 3 198.276 1.552 10 0 ADAEHM NN=c1[n-]c(-c2cscn2)cs1 229154189 344584262 /nfs/dbraw/zinc/58/42/62/344584262.db2.gz VCNZSMDNOFWMIQ-UHFFFAOYSA-N -1 3 198.276 1.552 10 0 ADAEHM Cc1cc(C(=O)[O-])ccc1CN(C)C 229192024 344585377 /nfs/dbraw/zinc/58/53/77/344585377.db2.gz JMBPPGBYURDURJ-UHFFFAOYSA-N -1 3 193.246 1.755 10 0 ADAEHM CCOc1cc(=O)[n-]c(C(C)C)n1 229305787 344590099 /nfs/dbraw/zinc/59/00/99/344590099.db2.gz FSFQKXBDKHUGKG-UHFFFAOYSA-N -1 3 182.223 1.292 10 0 ADAEHM Cc1nc(OC(C)C)cc(=O)[n-]1 229305743 344590196 /nfs/dbraw/zinc/59/01/96/344590196.db2.gz CFSNEIMDGTZEOX-UHFFFAOYSA-N -1 3 168.196 1.278 10 0 ADAEHM C[C@@H]1C=C([C@@H](N)C(=O)[O-])C[C@@H](C)C1 229428653 344594778 /nfs/dbraw/zinc/59/47/78/344594778.db2.gz CTCDAFPMXJOMCZ-ACLDMZEESA-N -1 3 183.251 1.391 10 0 ADAEHM C[C@@H]1C=C([C@@H](N)C(=O)[O-])C[C@H](C)C1 229428673 344594901 /nfs/dbraw/zinc/59/49/01/344594901.db2.gz CTCDAFPMXJOMCZ-LKEWCRSYSA-N -1 3 183.251 1.391 10 0 ADAEHM CCC1(n2c(=O)[n-][nH]c2=S)CCC1 229554390 344602779 /nfs/dbraw/zinc/60/27/79/344602779.db2.gz YGDSJMNRIAIFJF-UHFFFAOYSA-N -1 3 199.279 1.149 10 0 ADAEHM CC(C)c1c(-c2cn[n-]n2)noc1N 229849622 344618356 /nfs/dbraw/zinc/61/83/56/344618356.db2.gz WMNISSQABSXJLB-UHFFFAOYSA-N -1 3 193.210 1.165 10 0 ADAEHM C[C@@H]1C/C(=C(/F)C(=O)[O-])CN1C1CC1 229943431 344621014 /nfs/dbraw/zinc/62/10/14/344621014.db2.gz OEAOFVXCHSCEOB-JKUJOVPDSA-N -1 3 199.225 1.551 10 0 ADAEHM C[C@H]1C/C(=C(/F)C(=O)[O-])CN1C1CC1 229943439 344621149 /nfs/dbraw/zinc/62/11/49/344621149.db2.gz OEAOFVXCHSCEOB-XFIBDXMASA-N -1 3 199.225 1.551 10 0 ADAEHM Cc1cc([O-])ccc1C(=O)NC1CC1 230321106 344630996 /nfs/dbraw/zinc/63/09/96/344630996.db2.gz KHKKVWBCYHQKDC-UHFFFAOYSA-N -1 3 191.230 1.593 10 0 ADAEHM CCNC(=O)c1ccc([O-])cc1C 230304252 344631039 /nfs/dbraw/zinc/63/10/39/344631039.db2.gz DSXXEVNFZQJCED-UHFFFAOYSA-N -1 3 179.219 1.450 10 0 ADAEHM CCc1ccc([O-])c(C(C)=O)n1 230520161 344637067 /nfs/dbraw/zinc/63/70/67/344637067.db2.gz VQJWQZNZKZRYGP-UHFFFAOYSA-N -1 3 165.192 1.552 10 0 ADAEHM Nc1cccc(-c2ncno2)c1[O-] 230716536 344640495 /nfs/dbraw/zinc/64/04/95/344640495.db2.gz CGJZNKROIDMYFP-UHFFFAOYSA-N -1 3 177.163 1.024 10 0 ADAEHM Cc1[nH]c(=O)c([O-])cc1Cl 231392114 344652602 /nfs/dbraw/zinc/65/26/02/344652602.db2.gz RVGHNDYVEMYTEI-UHFFFAOYSA-N -1 3 159.572 1.042 10 0 ADAEHM O=c1[nH]cc([O-])c2ccc(Cl)cc12 231512283 344654013 /nfs/dbraw/zinc/65/40/13/344654013.db2.gz QTGHQBOPNHLVID-UHFFFAOYSA-N -1 3 195.605 1.266 10 0 ADAEHM CC(=O)[N-]OCC1CCCCC1 231557836 344654096 /nfs/dbraw/zinc/65/40/96/344654096.db2.gz BYBQQBHSRHKGKB-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM [O-]c1cnccc1OC(F)(F)F 231565631 344654668 /nfs/dbraw/zinc/65/46/68/344654668.db2.gz MBEBBROLNGOTGG-UHFFFAOYSA-N -1 3 179.097 1.686 10 0 ADAEHM Cn1ccc(-c2cc([O-])cc(F)c2)n1 231989536 344668635 /nfs/dbraw/zinc/66/86/35/344668635.db2.gz FAEUNWSOSTZGFV-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM Cn1ccc(-c2ccc([O-])cn2)n1 231989511 344668637 /nfs/dbraw/zinc/66/86/37/344668637.db2.gz GCEMZENBFROKGG-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cn1ccc(-c2ncccc2[O-])n1 231989407 344668644 /nfs/dbraw/zinc/66/86/44/344668644.db2.gz BYYBMSJKRJKNSZ-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cn1ccc(-c2cncc([O-])c2)n1 231989532 344668729 /nfs/dbraw/zinc/66/87/29/344668729.db2.gz KQKMNJHZTADVDK-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM Cc1ccc2c([O-])coc2c1F 232323995 344675407 /nfs/dbraw/zinc/67/54/07/344675407.db2.gz FOWCDGHBCFSSPG-UHFFFAOYSA-N -1 3 166.151 1.709 10 0 ADAEHM [O-]c1ccc(NC2COC2)cc1Cl 232390480 344676196 /nfs/dbraw/zinc/67/61/96/344676196.db2.gz XVKMRQVHOITUDK-UHFFFAOYSA-N -1 3 199.637 1.856 10 0 ADAEHM [O-]c1ccc([C@@H]2NCCS2)cc1F 232448122 344676785 /nfs/dbraw/zinc/67/67/85/344676785.db2.gz KPGLQSOHRNZFNS-SECBINFHSA-N -1 3 199.250 1.866 10 0 ADAEHM [O-]c1ccc([C@H]2NCCS2)cc1F 232448124 344676865 /nfs/dbraw/zinc/67/68/65/344676865.db2.gz KPGLQSOHRNZFNS-VIFPVBQESA-N -1 3 199.250 1.866 10 0 ADAEHM C/C(=C/c1ccc([O-])c(F)c1)CO 232449301 344677041 /nfs/dbraw/zinc/67/70/41/344677041.db2.gz DFRNZDOPMVPVQF-DAXSKMNVSA-N -1 3 182.194 1.927 10 0 ADAEHM [O-]c1ccc([C@H](O)C(F)F)cc1F 232448097 344677055 /nfs/dbraw/zinc/67/70/55/344677055.db2.gz CXUFNVLQTVKLDI-ZETCQYMHSA-N -1 3 192.136 1.830 10 0 ADAEHM [O-]c1ccc(/C=C/CO)cc1F 232449299 344677060 /nfs/dbraw/zinc/67/70/60/344677060.db2.gz BNXOTQWNGLQLEC-OWOJBTEDSA-N -1 3 168.167 1.537 10 0 ADAEHM [O-]c1ccc([C@@H](O)C(F)F)cc1F 232448095 344677178 /nfs/dbraw/zinc/67/71/78/344677178.db2.gz CXUFNVLQTVKLDI-SSDOTTSWSA-N -1 3 192.136 1.830 10 0 ADAEHM CC(C)(C1CC1)n1c(=O)[n-][nH]c1=S 232518588 344680779 /nfs/dbraw/zinc/68/07/79/344680779.db2.gz XSYQEDUKYIKUDT-UHFFFAOYSA-N -1 3 199.279 1.005 10 0 ADAEHM Cc1nc(CC(C)C)c(C)c(=O)[n-]1 232619973 344685938 /nfs/dbraw/zinc/68/59/38/344685938.db2.gz HYSPADZNMABSCZ-UHFFFAOYSA-N -1 3 180.251 1.585 10 0 ADAEHM CC(C)Cc1cn[n-]c(=S)c1 232619214 344686077 /nfs/dbraw/zinc/68/60/77/344686077.db2.gz LMZVZRIPCPMASS-UHFFFAOYSA-N -1 3 168.265 1.964 10 0 ADAEHM Cc1c(CC(C)C)nc[n-]c1=O 232624255 344686342 /nfs/dbraw/zinc/68/63/42/344686342.db2.gz USKGKKNDJQJWFV-UHFFFAOYSA-N -1 3 166.224 1.277 10 0 ADAEHM CC(C)Cc1[n-]c(=O)ncc1F 232644288 344686924 /nfs/dbraw/zinc/68/69/24/344686924.db2.gz UQGWODXLNSOWOS-UHFFFAOYSA-N -1 3 170.187 1.108 10 0 ADAEHM CC(C)Cc1ccc(=S)[n-]n1 232663011 344687590 /nfs/dbraw/zinc/68/75/90/344687590.db2.gz BTXUPIAOSDXPSY-UHFFFAOYSA-N -1 3 168.265 1.964 10 0 ADAEHM CC(C)c1c(C2CC2)nc[n-]c1=O 232736845 344689169 /nfs/dbraw/zinc/68/91/69/344689169.db2.gz JDQFBWOEKCDYJQ-UHFFFAOYSA-N -1 3 178.235 1.771 10 0 ADAEHM CC(C)c1cn[n-]c(=S)c1 232760183 344689538 /nfs/dbraw/zinc/68/95/38/344689538.db2.gz PIOKJMYLRGMPNV-UHFFFAOYSA-N -1 3 154.238 1.889 10 0 ADAEHM Cc1nc(C(C)C)c(C)c(=O)[n-]1 232765562 344689631 /nfs/dbraw/zinc/68/96/31/344689631.db2.gz CGNGTPUGXYHJTE-UHFFFAOYSA-N -1 3 166.224 1.510 10 0 ADAEHM CC1(Cn2ccc(=O)[n-]c2=S)CC1 232854193 344694884 /nfs/dbraw/zinc/69/48/84/344694884.db2.gz FLUXLEDKYMOCSW-UHFFFAOYSA-N -1 3 196.275 1.332 10 0 ADAEHM CC1(Cn2c(=O)[n-][nH]c2=S)CCC1 232852247 344695007 /nfs/dbraw/zinc/69/50/07/344695007.db2.gz YUVZPNDBRSKJMS-UHFFFAOYSA-N -1 3 199.279 1.050 10 0 ADAEHM CC(C)c1[n-]c(=O)ncc1F 232860577 344695198 /nfs/dbraw/zinc/69/51/98/344695198.db2.gz MNNMGMIVDSNOTJ-UHFFFAOYSA-N -1 3 156.160 1.032 10 0 ADAEHM CCC[C@H]1C[C@@H]1Nc1cc(=O)[n-]cn1 233435056 344701612 /nfs/dbraw/zinc/70/16/12/344701612.db2.gz OQKKOIHBFDDMPL-YUMQZZPRSA-N -1 3 193.250 1.370 10 0 ADAEHM CCC[C@H]1C[C@H]1Nc1cc(=O)[n-]cn1 233428917 344701736 /nfs/dbraw/zinc/70/17/36/344701736.db2.gz OQKKOIHBFDDMPL-JGVFFNPUSA-N -1 3 193.250 1.370 10 0 ADAEHM CCN(C#N)c1cccc([O-])c1 233455630 344702125 /nfs/dbraw/zinc/70/21/25/344702125.db2.gz XGSVKVZNMZPTCU-UHFFFAOYSA-N -1 3 162.192 1.700 10 0 ADAEHM CCN1CCc2[n-]c(=S)oc2C1 233479770 344702170 /nfs/dbraw/zinc/70/21/70/344702170.db2.gz QIMWZVZNRLIYJG-UHFFFAOYSA-N -1 3 184.264 1.341 10 0 ADAEHM CC[C@@H]1C[C@H]1Nc1cc(=O)[n-]c(C)n1 233913592 344706267 /nfs/dbraw/zinc/70/62/67/344706267.db2.gz ZHMADDLVJZZSQM-HTQZYQBOSA-N -1 3 193.250 1.701 10 0 ADAEHM CC[C@@H]1C[C@@H]1Nc1cc(=O)[n-]c(C)n1 233917859 344706870 /nfs/dbraw/zinc/70/68/70/344706870.db2.gz ZHMADDLVJZZSQM-SFYZADRCSA-N -1 3 193.250 1.701 10 0 ADAEHM CC[C@@H]1C[C@@H]1n1ccc(=O)[n-]c1=S 233927447 344707125 /nfs/dbraw/zinc/70/71/25/344707125.db2.gz VXXSJTWEFGELDG-RQJHMYQMSA-N -1 3 196.275 1.503 10 0 ADAEHM CC[C@@H]1C[C@H]1n1ccc(=O)[n-]c1=S 233926418 344707215 /nfs/dbraw/zinc/70/72/15/344707215.db2.gz VXXSJTWEFGELDG-RNFRBKRXSA-N -1 3 196.275 1.503 10 0 ADAEHM CCNC(=O)c1cc([S-])cs1 233971508 344709151 /nfs/dbraw/zinc/70/91/51/344709151.db2.gz NCIZEEBVHXSYFS-UHFFFAOYSA-N -1 3 187.289 1.787 10 0 ADAEHM CC[C@H]1C[C@H]1Nc1cc(=O)[n-]c(C)n1 234130321 344713200 /nfs/dbraw/zinc/71/32/00/344713200.db2.gz ZHMADDLVJZZSQM-JGVFFNPUSA-N -1 3 193.250 1.701 10 0 ADAEHM CC[C@H]1C[C@@H]1Nc1cc(=O)[n-]c(C)n1 234138422 344713348 /nfs/dbraw/zinc/71/33/48/344713348.db2.gz ZHMADDLVJZZSQM-YUMQZZPRSA-N -1 3 193.250 1.701 10 0 ADAEHM CC[C@H]1C[C@H]1n1ccc(=O)[n-]c1=S 234156206 344713852 /nfs/dbraw/zinc/71/38/52/344713852.db2.gz VXXSJTWEFGELDG-NKWVEPMBSA-N -1 3 196.275 1.503 10 0 ADAEHM CCc1c(C2CC2)nc[n-]c1=O 234179587 344714243 /nfs/dbraw/zinc/71/42/43/344714243.db2.gz YOEAMKRSIIEANT-UHFFFAOYSA-N -1 3 164.208 1.210 10 0 ADAEHM CC[C@H]1C[C@@H]1n1ccc(=O)[n-]c1=S 234170733 344714370 /nfs/dbraw/zinc/71/43/70/344714370.db2.gz VXXSJTWEFGELDG-BQBZGAKWSA-N -1 3 196.275 1.503 10 0 ADAEHM CCc1[n-]cnc(=NN(C)C)c1F 234169935 344714523 /nfs/dbraw/zinc/71/45/23/344714523.db2.gz IMLOEBSSXCSSRT-UHFFFAOYSA-N -1 3 184.218 1.067 10 0 ADAEHM CCc1nc(C(C)C)c(C)c(=O)[n-]1 234190565 344714774 /nfs/dbraw/zinc/71/47/74/344714774.db2.gz LDXUMBXWOKDEFQ-UHFFFAOYSA-N -1 3 180.251 1.764 10 0 ADAEHM CCc1nc(OC2CCC2)cc(=O)[n-]1 234193744 344714828 /nfs/dbraw/zinc/71/48/28/344714828.db2.gz ZJCDXGGQNXFTFO-UHFFFAOYSA-N -1 3 194.234 1.264 10 0 ADAEHM CCc1nc(-c2ccco2)cc(=O)[n-]1 234216110 344714879 /nfs/dbraw/zinc/71/48/79/344714879.db2.gz MHJMXVHRJRFJRA-UHFFFAOYSA-N -1 3 190.202 1.592 10 0 ADAEHM CCc1nc(C2CC2)c(C)c(=O)[n-]1 234190644 344714929 /nfs/dbraw/zinc/71/49/29/344714929.db2.gz HLWBEAIYBDNWAO-UHFFFAOYSA-N -1 3 178.235 1.518 10 0 ADAEHM CN(C)C(=O)c1cc([S-])cs1 234214768 344714999 /nfs/dbraw/zinc/71/49/99/344714999.db2.gz IICLHNUISQXXCS-UHFFFAOYSA-N -1 3 187.289 1.739 10 0 ADAEHM CCn1cc(-c2coc(=S)[n-]2)cn1 234266027 344716380 /nfs/dbraw/zinc/71/63/80/344716380.db2.gz DZSNOXBVPGUECP-UHFFFAOYSA-N -1 3 195.247 1.847 10 0 ADAEHM CCc1nc(-c2cncs2)[nH]c1[O-] 234317263 344717378 /nfs/dbraw/zinc/71/73/78/344717378.db2.gz KTIPVAKPSDHSJQ-UHFFFAOYSA-N -1 3 195.247 1.801 10 0 ADAEHM CNC(=O)c1cc([S-])cs1 234358723 344718674 /nfs/dbraw/zinc/71/86/74/344718674.db2.gz CSLLMULSWZAOPA-UHFFFAOYSA-N -1 3 173.262 1.396 10 0 ADAEHM COC(=O)c1nc(C)c(C)c(=S)[n-]1 234577429 344723482 /nfs/dbraw/zinc/72/34/82/344723482.db2.gz MFFINDGRYVHBCW-UHFFFAOYSA-N -1 3 198.247 1.169 10 0 ADAEHM C[C@@H](NO)c1ccc([O-])cc1F 235209200 344736166 /nfs/dbraw/zinc/73/61/66/344736166.db2.gz GXQJXIHDCGYLKJ-RXMQYKEDSA-N -1 3 171.171 1.571 10 0 ADAEHM C[C@@H](O)/C=C/c1ccc([O-])c(F)c1 235232070 344736592 /nfs/dbraw/zinc/73/65/92/344736592.db2.gz BQPLRCLXDITPJN-TYWZFMJISA-N -1 3 182.194 1.925 10 0 ADAEHM C[C@@H]1O[C@H](C)Cc2[n-]c(=S)oc21 235355921 344745925 /nfs/dbraw/zinc/74/59/25/344745925.db2.gz SEIAGDIKTHBSEM-UHNVWZDZSA-N -1 3 185.248 1.986 10 0 ADAEHM C[C@H](O)/C=C/c1ccc([O-])c(F)c1 235536463 344752940 /nfs/dbraw/zinc/75/29/40/344752940.db2.gz BQPLRCLXDITPJN-AIYRYJHASA-N -1 3 182.194 1.925 10 0 ADAEHM C[C@H]1Cc2[n-]c(=S)oc2[C@@H](C)O1 235720597 344764278 /nfs/dbraw/zinc/76/42/78/344764278.db2.gz SEIAGDIKTHBSEM-CRCLSJGQSA-N -1 3 185.248 1.986 10 0 ADAEHM C[C@H]1Cc2[n-]c(=S)oc2[C@H](C)O1 235720613 344764490 /nfs/dbraw/zinc/76/44/90/344764490.db2.gz SEIAGDIKTHBSEM-WHFBIAKZSA-N -1 3 185.248 1.986 10 0 ADAEHM Cc1ccsc1-c1n[n-]c(=O)s1 235779933 344766308 /nfs/dbraw/zinc/76/63/08/344766308.db2.gz IABHXLKEISABBK-UHFFFAOYSA-N -1 3 198.272 1.868 10 0 ADAEHM Cc1cnccc1-c1cc(=O)[n-]cn1 235789883 344766626 /nfs/dbraw/zinc/76/66/26/344766626.db2.gz WTVNRXNEXALCGZ-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM Cc1cnccc1-c1n[n-]c(=O)s1 235792378 344766673 /nfs/dbraw/zinc/76/66/73/344766673.db2.gz OANREKUEEZCTMC-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM Cc1[n-]c(=S)ncc1F 235795633 344766706 /nfs/dbraw/zinc/76/67/06/344766706.db2.gz UGKKWYDNKBUGGR-UHFFFAOYSA-N -1 3 144.174 1.213 10 0 ADAEHM Cc1oncc1-c1c[n-]c(=S)o1 235805353 344767443 /nfs/dbraw/zinc/76/74/43/344767443.db2.gz UZUSQVHDVUPFSL-UHFFFAOYSA-N -1 3 182.204 1.927 10 0 ADAEHM Cc1n[n-]c(=S)c(C)c1C 235811586 344767736 /nfs/dbraw/zinc/76/77/36/344767736.db2.gz OJNRVNZYDQPRCP-UHFFFAOYSA-N -1 3 154.238 1.691 10 0 ADAEHM Cc1nn(C)cc1-c1coc(=S)[n-]1 235819569 344767846 /nfs/dbraw/zinc/76/78/46/344767846.db2.gz VNPCCFYMZPHWNN-UHFFFAOYSA-N -1 3 195.247 1.672 10 0 ADAEHM Cc1sccc1-c1cnc[n-]c1=O 235825520 344768037 /nfs/dbraw/zinc/76/80/37/344768037.db2.gz QGRJFXUHNLFBAR-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1nc(Cl)[n-]c(=S)c1N 235822131 344768072 /nfs/dbraw/zinc/76/80/72/344768072.db2.gz DGFBOVJOEPXPFT-UHFFFAOYSA-N -1 3 175.644 1.309 10 0 ADAEHM Cc1sccc1-c1n[n-]c(=O)s1 235825812 344768108 /nfs/dbraw/zinc/76/81/08/344768108.db2.gz LFNGCTYXLSXLPS-UHFFFAOYSA-N -1 3 198.272 1.868 10 0 ADAEHM Cc1ccsc1-c1cc(=O)[n-]cn1 235819627 344768172 /nfs/dbraw/zinc/76/81/72/344768172.db2.gz QZXOURFSRGVRRA-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1sccc1-c1cc(=O)[n-]cn1 235823722 344768222 /nfs/dbraw/zinc/76/82/22/344768222.db2.gz CYJZZIMDBZKIHS-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1c(-c2ccsc2)nc[n-]c1=O 235843618 344768855 /nfs/dbraw/zinc/76/88/55/344768855.db2.gz JMKZAHGSVASPEC-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1c(-c2ccc[nH]2)nc[n-]c1=O 235839960 344768785 /nfs/dbraw/zinc/76/87/85/344768785.db2.gz QUEWAGKDRWHZTP-UHFFFAOYSA-N -1 3 175.191 1.073 10 0 ADAEHM Cc1c(-c2ccco2)nc[n-]c1=O 235843000 344768819 /nfs/dbraw/zinc/76/88/19/344768819.db2.gz MSPDGRNUOSFTSI-UHFFFAOYSA-N -1 3 176.175 1.338 10 0 ADAEHM Cc1c(-c2ccoc2)nc[n-]c1=O 235843449 344768824 /nfs/dbraw/zinc/76/88/24/344768824.db2.gz QMYFFEJQOUNWET-UHFFFAOYSA-N -1 3 176.175 1.338 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2CC2(C)C)n1 235859412 344769137 /nfs/dbraw/zinc/76/91/37/344769137.db2.gz IGSGMOKFSQLUEZ-SSDOTTSWSA-N -1 3 178.235 1.592 10 0 ADAEHM Cc1cc(-c2cc(=O)[n-]cn2)cs1 235851038 344769163 /nfs/dbraw/zinc/76/91/63/344769163.db2.gz JXOLIOCYWRAYCI-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1cc(-c2n[n-]c(=O)s2)cs1 235870880 344769239 /nfs/dbraw/zinc/76/92/39/344769239.db2.gz JEDGLDHUQSJYTP-UHFFFAOYSA-N -1 3 198.272 1.868 10 0 ADAEHM Cc1cc(-c2cnc[n-]c2=O)ccn1 235869025 344769304 /nfs/dbraw/zinc/76/93/04/344769304.db2.gz ZAZJAQPGZJCZET-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM Cc1ccc(-c2n[n-]c(=O)s2)s1 235904423 344769513 /nfs/dbraw/zinc/76/95/13/344769513.db2.gz WQYSJZVQPSYUGZ-UHFFFAOYSA-N -1 3 198.272 1.868 10 0 ADAEHM Cc1ccc(-c2n[n-]c(=O)s2)cn1 235904399 344769675 /nfs/dbraw/zinc/76/96/75/344769675.db2.gz OIWXLHQZRSYTRU-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM Cc1nc([C@@H]2CC2(C)C)[n-]c(=O)c1C 235930389 344769905 /nfs/dbraw/zinc/76/99/05/344769905.db2.gz SCLDSOWLADBHFD-QMMMGPOBSA-N -1 3 192.262 1.900 10 0 ADAEHM Cc1cncc(-c2n[n-]c(=O)s2)c1 235931880 344769912 /nfs/dbraw/zinc/76/99/12/344769912.db2.gz HSWYVFXEWNTMSR-UHFFFAOYSA-N -1 3 193.231 1.202 10 0 ADAEHM Cc1nc(OC2CCC2)cc(=O)[n-]1 235934437 344769990 /nfs/dbraw/zinc/76/99/90/344769990.db2.gz JZOWBMMOKAAHCY-UHFFFAOYSA-N -1 3 180.207 1.422 10 0 ADAEHM Cc1nc(C2CC2)c(C)c(=O)[n-]1 235960849 344770700 /nfs/dbraw/zinc/77/07/00/344770700.db2.gz YTEXGMWZKIEJKF-UHFFFAOYSA-N -1 3 164.208 1.264 10 0 ADAEHM Cc1noc([N-]C2(CO)CCCC2)n1 235963612 344770712 /nfs/dbraw/zinc/77/07/12/344770712.db2.gz RFHYQLQZLUYYEZ-UHFFFAOYSA-N -1 3 197.238 1.095 10 0 ADAEHM O=c1[n-]nc(Cl)cc1-c1ccoc1 236074121 344772033 /nfs/dbraw/zinc/77/20/33/344772033.db2.gz ZWXLBENABMWLQY-UHFFFAOYSA-N -1 3 196.593 1.683 10 0 ADAEHM O=c1[n-]nc(Cl)cc1-c1ccc[nH]1 236073413 344772252 /nfs/dbraw/zinc/77/22/52/344772252.db2.gz SOUQOQYCRPGUAO-UHFFFAOYSA-N -1 3 195.609 1.418 10 0 ADAEHM O=c1[n-]nc(Cl)cc1-c1ccco1 236074032 344772265 /nfs/dbraw/zinc/77/22/65/344772265.db2.gz YRUUJFWRCGHRLL-UHFFFAOYSA-N -1 3 196.593 1.683 10 0 ADAEHM Cn1nc(-c2cncs2)[n-]c1=S 236095572 344773547 /nfs/dbraw/zinc/77/35/47/344773547.db2.gz OXPWPSJCONHBAC-UHFFFAOYSA-N -1 3 198.276 1.227 10 0 ADAEHM Cn1cc(-c2cn[n-]c(=S)c2)cn1 236101963 344773951 /nfs/dbraw/zinc/77/39/51/344773951.db2.gz IASSKDUJADXUFH-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM Cn1cc(-c2ccc(=S)[n-]n2)cn1 236101512 344774079 /nfs/dbraw/zinc/77/40/79/344774079.db2.gz BVNAERWHYRDPPP-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM Cn1cc(-c2coc(=S)[n-]2)cn1 236101976 344774123 /nfs/dbraw/zinc/77/41/23/344774123.db2.gz PMXJAWHLPJILRR-UHFFFAOYSA-N -1 3 181.220 1.364 10 0 ADAEHM FC(F)(F)Cc1nccc(=S)[n-]1 236107800 344774416 /nfs/dbraw/zinc/77/44/16/344774416.db2.gz JSKVAUJUYFMYBA-UHFFFAOYSA-N -1 3 194.181 1.870 10 0 ADAEHM Fc1cnc(=S)[n-]c1C1CC1 236147388 344775534 /nfs/dbraw/zinc/77/55/34/344775534.db2.gz LWXHWHKLBCYRLC-UHFFFAOYSA-N -1 3 170.212 1.782 10 0 ADAEHM Fc1c[n-]c(=S)nc1-c1ccc[nH]1 236147761 344775660 /nfs/dbraw/zinc/77/56/60/344775660.db2.gz SJSJDKWIJHQLDH-UHFFFAOYSA-N -1 3 195.222 1.900 10 0 ADAEHM N#C[N-]C(=O)c1cc(F)cnc1Cl 236279805 344779624 /nfs/dbraw/zinc/77/96/24/344779624.db2.gz MDMSLERMRZMDAR-UHFFFAOYSA-N -1 3 199.572 1.085 10 0 ADAEHM NC(=O)c1cc([S-])cs1 236285294 344779787 /nfs/dbraw/zinc/77/97/87/344779787.db2.gz APCGKPBDFJBNPX-UHFFFAOYSA-N -1 3 159.235 1.136 10 0 ADAEHM O=c1nc(-c2ccoc2)c(F)c[n-]1 236279278 344779791 /nfs/dbraw/zinc/77/97/91/344779791.db2.gz SZQFNOGDTXTEGI-UHFFFAOYSA-N -1 3 180.138 1.169 10 0 ADAEHM O=c1nc(-c2cccs2)c(F)c[n-]1 236279238 344779826 /nfs/dbraw/zinc/77/98/26/344779826.db2.gz KUUFILQQNVDYAW-UHFFFAOYSA-N -1 3 196.206 1.638 10 0 ADAEHM O=c1nc(-c2ccco2)c(F)c[n-]1 236279217 344779917 /nfs/dbraw/zinc/77/99/17/344779917.db2.gz DAAJCVXRDDAGEA-UHFFFAOYSA-N -1 3 180.138 1.169 10 0 ADAEHM O=c1nc(-c2ccsc2)c(F)c[n-]1 236279295 344779976 /nfs/dbraw/zinc/77/99/76/344779976.db2.gz DZKODJIHYWYSNM-UHFFFAOYSA-N -1 3 196.206 1.638 10 0 ADAEHM Nc1cccc2nc[n-]c(=S)c12 236347526 344782431 /nfs/dbraw/zinc/78/24/31/344782431.db2.gz AOISYJSDTZUJOO-UHFFFAOYSA-N -1 3 177.232 1.501 10 0 ADAEHM Nc1nnc([N-]c2ccsc2)o1 236379832 344783476 /nfs/dbraw/zinc/78/34/76/344783476.db2.gz QRFAOFFXSAUFNG-UHFFFAOYSA-N -1 3 182.208 1.457 10 0 ADAEHM O=c1cc(OC2CCCC2)nc[n-]1 236411884 344784775 /nfs/dbraw/zinc/78/47/75/344784775.db2.gz KYSZKCSBVDVQGC-UHFFFAOYSA-N -1 3 180.207 1.091 10 0 ADAEHM O=c1[n-]ccnc1OC1CCCC1 236416791 344785715 /nfs/dbraw/zinc/78/57/15/344785715.db2.gz MDAFWMUPOKFHFJ-UHFFFAOYSA-N -1 3 180.207 1.091 10 0 ADAEHM O=c1[n-]ccnc1Oc1ccccc1 236417016 344785794 /nfs/dbraw/zinc/78/57/94/344785794.db2.gz LBFAEGDBSKZDCI-UHFFFAOYSA-N -1 3 188.186 1.562 10 0 ADAEHM S=c1[n-]c(C2CC2)co1 236565603 344789258 /nfs/dbraw/zinc/78/92/58/344789258.db2.gz NQBYEOXLLYJJFG-UHFFFAOYSA-N -1 3 141.195 1.841 10 0 ADAEHM S=c1[n-]c([C@H]2CCOC2)co1 236572510 344789324 /nfs/dbraw/zinc/78/93/24/344789324.db2.gz RZXJLIFDYUGTQX-YFKPBYRVSA-N -1 3 171.221 1.467 10 0 ADAEHM S=c1[n-]c([C@@H]2CCOC2)co1 236571691 344789446 /nfs/dbraw/zinc/78/94/46/344789446.db2.gz RZXJLIFDYUGTQX-RXMQYKEDSA-N -1 3 171.221 1.467 10 0 ADAEHM S=c1[n-]c2c(o1)COCC2 236580302 344789674 /nfs/dbraw/zinc/78/96/74/344789674.db2.gz FPSUDTBADLTSHJ-UHFFFAOYSA-N -1 3 157.194 1.036 10 0 ADAEHM S=c1[n-]c(-c2cnccn2)co1 236577598 344789688 /nfs/dbraw/zinc/78/96/88/344789688.db2.gz DDXKZRRVSOPYTF-UHFFFAOYSA-N -1 3 179.204 1.420 10 0 ADAEHM S=c1[n-]c2c(o1)CSCC2 236580386 344789938 /nfs/dbraw/zinc/78/99/38/344789938.db2.gz KPGHWPAKDJCFTE-UHFFFAOYSA-N -1 3 173.262 1.753 10 0 ADAEHM O=c1cc2c(F)c([O-])ccc2c[nH]1 236623292 344790246 /nfs/dbraw/zinc/79/02/46/344790246.db2.gz MZOLWRAZKVHPFP-UHFFFAOYSA-N -1 3 179.150 1.785 10 0 ADAEHM N#CNC(=O)c1cc([O-])ccc1Cl 236631440 344790365 /nfs/dbraw/zinc/79/03/65/344790365.db2.gz BTYOYOPJNFTTKE-UHFFFAOYSA-N -1 3 196.593 1.256 10 0 ADAEHM Oc1ccc2nc[n-]c(=S)c2c1 236610553 344790488 /nfs/dbraw/zinc/79/04/88/344790488.db2.gz TZCQUKGPSXFRRR-UHFFFAOYSA-N -1 3 178.216 1.624 10 0 ADAEHM S=c1cc(-c2ccc[nH]2)cn[n-]1 236651476 344790928 /nfs/dbraw/zinc/79/09/28/344790928.db2.gz VGKRAWTXKKDLSU-UHFFFAOYSA-N -1 3 177.232 1.760 10 0 ADAEHM S=c1cc(-c2cccnc2)cn[n-]1 236652199 344790930 /nfs/dbraw/zinc/79/09/30/344790930.db2.gz LOXCJNFUACECRE-UHFFFAOYSA-N -1 3 189.243 1.827 10 0 ADAEHM S=c1ccc(C2CC2)n[n-]1 236673444 344790932 /nfs/dbraw/zinc/79/09/32/344790932.db2.gz BFSVFARFOCOQQC-UHFFFAOYSA-N -1 3 152.222 1.643 10 0 ADAEHM S=c1ccnc(-c2ncccn2)[n-]1 236711375 344790941 /nfs/dbraw/zinc/79/09/41/344790941.db2.gz JVRRBMFCDHAPCF-UHFFFAOYSA-N -1 3 190.231 1.222 10 0 ADAEHM S=c1cc(C2CC2)cn[n-]1 236650310 344790972 /nfs/dbraw/zinc/79/09/72/344790972.db2.gz WLYHHUZUHPIJRE-UHFFFAOYSA-N -1 3 152.222 1.643 10 0 ADAEHM S=c1cc(-c2cncnc2)cn[n-]1 236652724 344790977 /nfs/dbraw/zinc/79/09/77/344790977.db2.gz RJHSNUFLCJTEJM-UHFFFAOYSA-N -1 3 190.231 1.222 10 0 ADAEHM S=c1ccc(-c2cncnc2)n[n-]1 236695897 344791021 /nfs/dbraw/zinc/79/10/21/344791021.db2.gz USTLXCDDAPSMOX-UHFFFAOYSA-N -1 3 190.231 1.222 10 0 ADAEHM S=c1cc(-c2ccncc2)cn[n-]1 236652420 344791080 /nfs/dbraw/zinc/79/10/80/344791080.db2.gz FHDSYJLDYKSZHY-UHFFFAOYSA-N -1 3 189.243 1.827 10 0 ADAEHM S=c1cc(-c2ccccn2)cn[n-]1 236652154 344791190 /nfs/dbraw/zinc/79/11/90/344791190.db2.gz PIWYUWMHQMXWEY-UHFFFAOYSA-N -1 3 189.243 1.827 10 0 ADAEHM O=C(NC1CC1)c1cc([S-])cs1 236713642 344791432 /nfs/dbraw/zinc/79/14/32/344791432.db2.gz CKILCIKNTNCTTI-UHFFFAOYSA-N -1 3 199.300 1.929 10 0 ADAEHM CC(C)(C)c1c[nH]c(=S)[n-]c1=O 238116246 344793615 /nfs/dbraw/zinc/79/36/15/344793615.db2.gz VRROMNGLNGOZJI-UHFFFAOYSA-N -1 3 184.264 1.730 10 0 ADAEHM CCN1CCN=C1c1ccccc1[O-] 238239373 344796439 /nfs/dbraw/zinc/79/64/39/344796439.db2.gz CQRWBAVBDRJXDH-UHFFFAOYSA-N -1 3 190.246 1.474 10 0 ADAEHM CCOC(=O)Cc1c([O-])cccc1F 238257071 344797369 /nfs/dbraw/zinc/79/73/69/344797369.db2.gz CODWNTPBHXKISU-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CCOC(=O)Cc1ccc(F)cc1[O-] 238259672 344797489 /nfs/dbraw/zinc/79/74/89/344797489.db2.gz YOAIQJUGELXEQL-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM CCOc1cc2c(cc1[O-])CCC2=O 238272392 344797944 /nfs/dbraw/zinc/79/79/44/344797944.db2.gz SGMVIXWAOUQMIS-UHFFFAOYSA-N -1 3 192.214 1.920 10 0 ADAEHM C=C=C[C@H](CC)OC([O-])=NC(C)=O 238270046 344798186 /nfs/dbraw/zinc/79/81/86/344798186.db2.gz JFMZMVQSJTUVMC-QMMMGPOBSA-N -1 3 183.207 1.379 10 0 ADAEHM C=C=C[C@H](CC)OC(=O)[N-]C(C)=O 238270046 344798187 /nfs/dbraw/zinc/79/81/87/344798187.db2.gz JFMZMVQSJTUVMC-QMMMGPOBSA-N -1 3 183.207 1.379 10 0 ADAEHM C=C=C[C@@H](CC)OC([O-])=NC(C)=O 238286419 344798907 /nfs/dbraw/zinc/79/89/07/344798907.db2.gz JFMZMVQSJTUVMC-MRVPVSSYSA-N -1 3 183.207 1.379 10 0 ADAEHM C=C=C[C@@H](CC)OC(=O)[N-]C(C)=O 238286419 344798908 /nfs/dbraw/zinc/79/89/08/344798908.db2.gz JFMZMVQSJTUVMC-MRVPVSSYSA-N -1 3 183.207 1.379 10 0 ADAEHM COC(=O)C=C([O-])C(C)(Cl)Cl 238318496 344800167 /nfs/dbraw/zinc/80/01/67/344800167.db2.gz XBWFTBKIXNWHPQ-UHFFFAOYSA-N -1 3 199.033 1.312 10 0 ADAEHM COc1cc(C(F)(F)F)c([O-])cn1 238336914 344801832 /nfs/dbraw/zinc/80/18/32/344801832.db2.gz VRHHLMIDLJLYGR-UHFFFAOYSA-N -1 3 193.124 1.815 10 0 ADAEHM COc1ccc(Cl)[n-]c1=O 238345055 344802363 /nfs/dbraw/zinc/80/23/63/344802363.db2.gz ZDHGSEVOJFDIHH-UHFFFAOYSA-N -1 3 159.572 1.449 10 0 ADAEHM COc1cc(F)cc2c([O-])coc12 238353042 344802697 /nfs/dbraw/zinc/80/26/97/344802697.db2.gz VMINODVNJGWJSJ-UHFFFAOYSA-N -1 3 182.150 1.409 10 0 ADAEHM COC(=O)c1cc([O-])cc(F)c1F 238372815 344803572 /nfs/dbraw/zinc/80/35/72/344803572.db2.gz NEJUCAIDURMESN-UHFFFAOYSA-N -1 3 188.129 1.457 10 0 ADAEHM COc1[n-]c(=O)ccc1Cl 238395828 344805094 /nfs/dbraw/zinc/80/50/94/344805094.db2.gz OZCFUQJGDSFVMY-UHFFFAOYSA-N -1 3 159.572 1.449 10 0 ADAEHM COc1cc([O-])c(F)c(OC)c1 238391888 344804926 /nfs/dbraw/zinc/80/49/26/344804926.db2.gz ZHTOTYNKMRITDN-UHFFFAOYSA-N -1 3 172.155 1.549 10 0 ADAEHM COc1cc([O-])cnc1C(F)(F)F 238398547 344805296 /nfs/dbraw/zinc/80/52/96/344805296.db2.gz FMDUSKPRAQXGAM-UHFFFAOYSA-N -1 3 193.124 1.815 10 0 ADAEHM C[C@H](NO)c1ccc([O-])c(F)c1 238428741 344806437 /nfs/dbraw/zinc/80/64/37/344806437.db2.gz OAKFBUZMLRXHDZ-YFKPBYRVSA-N -1 3 171.171 1.571 10 0 ADAEHM COc1c([O-])cncc1Cl 238438920 344806721 /nfs/dbraw/zinc/80/67/21/344806721.db2.gz CSSJCVHXBZBVQB-UHFFFAOYSA-N -1 3 159.572 1.449 10 0 ADAEHM Cc1ncc(OC(F)(F)F)cc1[O-] 238485388 344809117 /nfs/dbraw/zinc/80/91/17/344809117.db2.gz KSBHCDLCJHOMDW-UHFFFAOYSA-N -1 3 193.124 1.994 10 0 ADAEHM Cc1cnc(OC(F)(F)F)c([O-])c1 238535884 344811617 /nfs/dbraw/zinc/81/16/17/344811617.db2.gz XTPSWEAOHKPZAS-UHFFFAOYSA-N -1 3 193.124 1.994 10 0 ADAEHM N[C@@H](CF)c1ccc(O)c(C(=O)[O-])c1 238574360 344813852 /nfs/dbraw/zinc/81/38/52/344813852.db2.gz HBTBDZVRTQEQOY-ZETCQYMHSA-N -1 3 199.181 1.060 10 0 ADAEHM N[C@@H](CF)c1ccc(C(=O)[O-])cc1 238573664 344813925 /nfs/dbraw/zinc/81/39/25/344813925.db2.gz YXLZAEXPSKMOFT-QMMMGPOBSA-N -1 3 183.182 1.354 10 0 ADAEHM NC(=S)c1[n-]c(=S)sc1N 238587012 344814646 /nfs/dbraw/zinc/81/46/46/344814646.db2.gz MQLMTPLHQRWPED-UHFFFAOYSA-N -1 3 191.306 1.022 10 0 ADAEHM Fc1nc(Cl)nc2nc[n-]c12 238592095 344814834 /nfs/dbraw/zinc/81/48/34/344814834.db2.gz JIFWWRLWSMVPPS-UHFFFAOYSA-N -1 3 172.550 1.145 10 0 ADAEHM O=c1[nH]cc(O)c2cc([O-])ccc12 238668104 344817630 /nfs/dbraw/zinc/81/76/30/344817630.db2.gz DBNKTMFSWQGAPB-UHFFFAOYSA-N -1 3 177.159 1.352 10 0 ADAEHM [O-]c1cnc(F)cc1OC(F)(F)F 238666233 344817694 /nfs/dbraw/zinc/81/76/94/344817694.db2.gz BEUNLMQOZGITTM-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=Cc1cc2ccc([O-])cc2cn1 238668817 344817770 /nfs/dbraw/zinc/81/77/70/344817770.db2.gz OKUPRGCGWAIHOB-UHFFFAOYSA-N -1 3 173.171 1.753 10 0 ADAEHM O=C1CNC(=O)c2cc([O-])ccc21 238668062 344817854 /nfs/dbraw/zinc/81/78/54/344817854.db2.gz LMFVAJQNBNQKCD-UHFFFAOYSA-N -1 3 177.159 1.352 10 0 ADAEHM [O-]c1cnc(F)c(OC(F)(F)F)c1 238665899 344817875 /nfs/dbraw/zinc/81/78/75/344817875.db2.gz VUTHBDHGHAAHFQ-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM [O-]c1cncc(OC(F)(F)F)c1 238674472 344818175 /nfs/dbraw/zinc/81/81/75/344818175.db2.gz NSIHXZGVUUKCJX-UHFFFAOYSA-N -1 3 179.097 1.686 10 0 ADAEHM [O-]c1cnc(OC(F)(F)F)c(F)c1 238670479 344818207 /nfs/dbraw/zinc/81/82/07/344818207.db2.gz VFXRGWDSXCOHOY-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM N[C@H](CF)c1ccccc1C(=O)[O-] 238685608 344818893 /nfs/dbraw/zinc/81/88/93/344818893.db2.gz BVSYADDXDLRRLY-MRVPVSSYSA-N -1 3 183.182 1.354 10 0 ADAEHM N[C@H](CF)c1ccc(O)c(C(=O)[O-])c1 238685075 344818903 /nfs/dbraw/zinc/81/89/03/344818903.db2.gz HBTBDZVRTQEQOY-SSDOTTSWSA-N -1 3 199.181 1.060 10 0 ADAEHM O=c1cc(F)c(F)c[n-]1 238697309 344819542 /nfs/dbraw/zinc/81/95/42/344819542.db2.gz IVEBEMDBDYYVDK-UHFFFAOYSA-N -1 3 131.081 1.065 10 0 ADAEHM O=c1cc(F)cc(OC(F)(F)F)[n-]1 238698396 344820110 /nfs/dbraw/zinc/82/01/10/344820110.db2.gz BWSWAYVPNCMLFU-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=c1cc(F)[n-]cc1OC(F)(F)F 238700477 344820153 /nfs/dbraw/zinc/82/01/53/344820153.db2.gz KEMQGFMZGIRHLD-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=c1[n-]c(OC(F)(F)F)ccc1F 238699246 344820234 /nfs/dbraw/zinc/82/02/34/344820234.db2.gz NGEAUNRLJNZPON-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=c1cc(OC(F)(F)F)cc(F)[n-]1 238707500 344820520 /nfs/dbraw/zinc/82/05/20/344820520.db2.gz LHLZLANMSXXZTC-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=c1cc(OC(F)(F)F)[n-]cc1F 238708160 344820745 /nfs/dbraw/zinc/82/07/45/344820745.db2.gz OSJXQWMUTOZASB-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=c1[n-]ccc(Br)c1F 238709777 344821156 /nfs/dbraw/zinc/82/11/56/344821156.db2.gz BTZFACZOCCVDIR-UHFFFAOYSA-N -1 3 191.987 1.689 10 0 ADAEHM O=C1C=CC(=O)C(OC(F)(F)F)[N-]1 238720459 344821512 /nfs/dbraw/zinc/82/15/12/344821512.db2.gz GNQOXNCTFCCWEB-UHFFFAOYSA-N -1 3 195.096 1.391 10 0 ADAEHM [O-]c1ccc(F)nc1OC(F)(F)F 238718910 344821658 /nfs/dbraw/zinc/82/16/58/344821658.db2.gz BKKMRMIXMJAZAD-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=c1ccc(F)c(OC(F)(F)F)[n-]1 238718087 344821680 /nfs/dbraw/zinc/82/16/80/344821680.db2.gz WFRDCJKQORMYRO-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM O=Cc1cnc2cccc([O-])c2c1 238726914 344822092 /nfs/dbraw/zinc/82/20/92/344822092.db2.gz QXBUYGDJBCIUBX-UHFFFAOYSA-N -1 3 173.171 1.753 10 0 ADAEHM [O-]c1cc(CO)ccc1C(F)(F)F 238725448 344822194 /nfs/dbraw/zinc/82/21/94/344822194.db2.gz CTXXFHIEVVRCTN-UHFFFAOYSA-N -1 3 192.136 1.903 10 0 ADAEHM O=C1CCc2ccc([O-])c(F)c2N1 238730155 344822312 /nfs/dbraw/zinc/82/23/12/344822312.db2.gz CBEJHTLTHCBYNL-UHFFFAOYSA-N -1 3 181.166 1.416 10 0 ADAEHM [O-]c1ccc(-c2cncs2)nc1 238729995 344822333 /nfs/dbraw/zinc/82/23/33/344822333.db2.gz TUZSQYLMJUEQDA-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM O=c1cc[n-]c(F)c1OC(F)(F)F 238728682 344822518 /nfs/dbraw/zinc/82/25/18/344822518.db2.gz JAITVNVICAQYSE-UHFFFAOYSA-N -1 3 197.087 1.825 10 0 ADAEHM [O-]c1cccnc1-c1cscn1 238728523 344822592 /nfs/dbraw/zinc/82/25/92/344822592.db2.gz RBGCOGUGPAZGLH-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM C[C@@H]1CCN1[C@@H]1C=C[C@H](C(=O)[O-])C1 251684165 344865743 /nfs/dbraw/zinc/86/57/43/344865743.db2.gz MRHUFRWBZBLMDJ-HRDYMLBCSA-N -1 3 181.235 1.110 10 0 ADAEHM C[C@@H]1CCN1[C@H]1C=C[C@H](C(=O)[O-])C1 251684167 344865911 /nfs/dbraw/zinc/86/59/11/344865911.db2.gz MRHUFRWBZBLMDJ-VGMNWLOBSA-N -1 3 181.235 1.110 10 0 ADAEHM C[C@H]1CC[C@H](N2CC(=O)[N-]C2=O)CC1 253112070 344926948 /nfs/dbraw/zinc/92/69/48/344926948.db2.gz DNHUGCFMKKXYOR-ZKCHVHJHSA-N -1 3 196.250 1.117 10 0 ADAEHM CC(C)Nc1nc(=O)[n-]cc1F 253578830 344934681 /nfs/dbraw/zinc/93/46/81/344934681.db2.gz YVGKRAMODVFXMN-UHFFFAOYSA-N -1 3 171.175 1.142 10 0 ADAEHM NCc1ccc(C(=O)[O-])c(F)c1F 258203096 344944103 /nfs/dbraw/zinc/94/41/03/344944103.db2.gz YOEFSJWQDBLNHJ-UHFFFAOYSA-N -1 3 187.145 1.122 10 0 ADAEHM CC(C)(O)c1c([O-])cccc1F 259284115 344948214 /nfs/dbraw/zinc/94/82/14/344948214.db2.gz ALZTZVYVCRCLQB-UHFFFAOYSA-N -1 3 170.183 1.759 10 0 ADAEHM COC(=O)c1ccc(C)c(F)c1[O-] 259998035 344951984 /nfs/dbraw/zinc/95/19/84/344951984.db2.gz DSDHJBSFJFBZTI-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM CCC[C@@H]1C[C@@H]1Nc1cc(=O)[n-]cn1 300386716 344980876 /nfs/dbraw/zinc/98/08/76/344980876.db2.gz OQKKOIHBFDDMPL-SFYZADRCSA-N -1 3 193.250 1.783 10 0 ADAEHM CN1CCC(=C/C=C/C(=O)[O-])CC1 300719047 344983480 /nfs/dbraw/zinc/98/34/80/344983480.db2.gz ASDWDYGSYMNMET-DUXPYHPUSA-N -1 3 181.235 1.279 10 0 ADAEHM CC[C@@H](C)c1ncc(N)c(=O)[n-]1 300727116 344983761 /nfs/dbraw/zinc/98/37/61/344983761.db2.gz GKQNMHZUQHHZFV-RXMQYKEDSA-N -1 3 167.212 1.278 10 0 ADAEHM CC[C@H](C)c1ncc(N)c(=O)[n-]1 300727118 344983915 /nfs/dbraw/zinc/98/39/15/344983915.db2.gz GKQNMHZUQHHZFV-YFKPBYRVSA-N -1 3 167.212 1.278 10 0 ADAEHM CC1(C)C[C@H]1c1ncc(N)c(=O)[n-]1 300731531 344984174 /nfs/dbraw/zinc/98/41/74/344984174.db2.gz IZMROLCXSZRXSV-YFKPBYRVSA-N -1 3 179.223 1.278 10 0 ADAEHM CC1(C)C[C@@H]1c1ncc(N)c(=O)[n-]1 300731530 344984199 /nfs/dbraw/zinc/98/41/99/344984199.db2.gz IZMROLCXSZRXSV-RXMQYKEDSA-N -1 3 179.223 1.278 10 0 ADAEHM CC1(C)C[C@H]1c1ncc(CO)c(=O)[n-]1 300729781 344984223 /nfs/dbraw/zinc/98/42/23/344984223.db2.gz HUTBZOBYDZSZPS-ZETCQYMHSA-N -1 3 194.234 1.188 10 0 ADAEHM CC1(C)C[C@@H]1c1ncc(CO)c(=O)[n-]1 300729780 344984302 /nfs/dbraw/zinc/98/43/02/344984302.db2.gz HUTBZOBYDZSZPS-SSDOTTSWSA-N -1 3 194.234 1.188 10 0 ADAEHM O=C([O-])/C=C/C=C1/CCN(C2CC2)C1 300731781 344984547 /nfs/dbraw/zinc/98/45/47/344984547.db2.gz FWBRVTLEYUMBOQ-ZVBYIFFFSA-N -1 3 193.246 1.422 10 0 ADAEHM CC(C)(C)Cc1ncc(N)c(=O)[n-]1 300744483 344986301 /nfs/dbraw/zinc/98/63/01/344986301.db2.gz OMAFBRHMCLSKGD-UHFFFAOYSA-N -1 3 181.239 1.353 10 0 ADAEHM COC(C)(C)c1coc(=S)[n-]1 300758791 344990517 /nfs/dbraw/zinc/99/05/17/344990517.db2.gz LFILDLUKERRJRW-UHFFFAOYSA-N -1 3 173.237 1.845 10 0 ADAEHM CN1CCC/C(=C/C=C/C(=O)[O-])C1 300808018 345000699 /nfs/dbraw/zinc/00/06/99/345000699.db2.gz WUUQWOOAVSILKM-YDYXOANUSA-N -1 3 181.235 1.279 10 0 ADAEHM CC[C@@H]1CN(/C=C/C(=O)[O-])CCCO1 300838663 345004180 /nfs/dbraw/zinc/00/41/80/345004180.db2.gz GIELWJMTIBYDHR-OTQAPUNGSA-N -1 3 199.250 1.086 10 0 ADAEHM CC[C@H]1CN(/C=C/C(=O)[O-])CCCO1 300838660 345004355 /nfs/dbraw/zinc/00/43/55/345004355.db2.gz GIELWJMTIBYDHR-DNQSNQRASA-N -1 3 199.250 1.086 10 0 ADAEHM Cn1nncc1Oc1ccccc1[O-] 300945862 345017246 /nfs/dbraw/zinc/01/72/46/345017246.db2.gz NRRLWRPBTFVXKR-UHFFFAOYSA-N -1 3 191.190 1.313 10 0 ADAEHM [O-]c1cc(F)cc(-n2cccn2)c1 306158080 345048234 /nfs/dbraw/zinc/04/82/34/345048234.db2.gz DCNKRNJOLWIFQC-UHFFFAOYSA-N -1 3 178.166 1.717 10 0 ADAEHM Nc1cnc(CC2CCC2)[n-]c1=O 306161061 345051706 /nfs/dbraw/zinc/05/17/06/345051706.db2.gz QXSALIFLOHPTAX-UHFFFAOYSA-N -1 3 179.223 1.107 10 0 ADAEHM C[C@H]1C[C@H]1c1nc(C=O)cc(=O)[n-]1 306161454 345052404 /nfs/dbraw/zinc/05/24/04/345052404.db2.gz LRYZTCOJPBVQHT-CAHLUQPWSA-N -1 3 178.191 1.118 10 0 ADAEHM C[C@@H]1C[C@H]1c1nc(C=O)cc(=O)[n-]1 306161469 345052552 /nfs/dbraw/zinc/05/25/52/345052552.db2.gz LRYZTCOJPBVQHT-IYSWYEEDSA-N -1 3 178.191 1.118 10 0 ADAEHM C[C@@H]1C[C@@H]1c1nc(C=O)cc(=O)[n-]1 306161477 345052573 /nfs/dbraw/zinc/05/25/73/345052573.db2.gz LRYZTCOJPBVQHT-VDTYLAMSSA-N -1 3 178.191 1.118 10 0 ADAEHM C[C@H]1C[C@@H]1c1nc(C=O)cc(=O)[n-]1 306161462 345052715 /nfs/dbraw/zinc/05/27/15/345052715.db2.gz LRYZTCOJPBVQHT-FSPLSTOPSA-N -1 3 178.191 1.118 10 0 ADAEHM Cn1ccnc1-c1coc(=S)[n-]1 306165012 345055829 /nfs/dbraw/zinc/05/58/29/345055829.db2.gz GZSINHVXWASEGV-UHFFFAOYSA-N -1 3 181.220 1.364 10 0 ADAEHM Cc1cc(C(=O)[O-])cc(NCCF)n1 306165496 345056540 /nfs/dbraw/zinc/05/65/40/345056540.db2.gz UBZGOTGRKVTZMR-UHFFFAOYSA-N -1 3 198.197 1.470 10 0 ADAEHM CN(CC1CC1)c1nc([O-])cs1 306167073 345057739 /nfs/dbraw/zinc/05/77/39/345057739.db2.gz WRRCYAWQNPCQMZ-UHFFFAOYSA-N -1 3 184.264 1.695 10 0 ADAEHM [O-]c1cc(F)cc(CN2CCC2)c1 306171553 345063479 /nfs/dbraw/zinc/06/34/79/345063479.db2.gz KROHTRFTDOXEIP-UHFFFAOYSA-N -1 3 181.210 1.737 10 0 ADAEHM CN(CC(F)F)c1nc([O-])cs1 306172600 345063833 /nfs/dbraw/zinc/06/38/33/345063833.db2.gz DZDRNBFEMHERRV-UHFFFAOYSA-N -1 3 194.206 1.550 10 0 ADAEHM O=C1CSC(c2ccc([O-])cc2)=N1 306183084 345074083 /nfs/dbraw/zinc/07/40/83/345074083.db2.gz ZPJKRGILMLHOHW-UHFFFAOYSA-N -1 3 193.227 1.412 10 0 ADAEHM CC[C@@H](C)c1cc(=O)[nH][n-]1 306193478 345083557 /nfs/dbraw/zinc/08/35/57/345083557.db2.gz LKBJEKGEVTVMPA-RXMQYKEDSA-N -1 3 140.186 1.629 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)C(C)(C)OC2 306192028 345082005 /nfs/dbraw/zinc/08/20/05/345082005.db2.gz QDKBIMVLFMMGCV-UHFFFAOYSA-N -1 3 180.207 1.256 10 0 ADAEHM [O-]c1cccc(CCO)c1Cl 306194300 345083891 /nfs/dbraw/zinc/08/38/91/345083891.db2.gz FQDWSLHXAQVPLC-UHFFFAOYSA-N -1 3 172.611 1.580 10 0 ADAEHM CC[C@@H](NO)c1ccc([O-])c(F)c1 306194203 345083996 /nfs/dbraw/zinc/08/39/96/345083996.db2.gz MFQSWBDNHILBCE-MRVPVSSYSA-N -1 3 185.198 1.961 10 0 ADAEHM [O-]c1csc(-c2ncc[nH]2)n1 306215559 345107255 /nfs/dbraw/zinc/10/72/55/345107255.db2.gz ONXVNUOLVJTGIN-UHFFFAOYSA-N -1 3 167.193 1.239 10 0 ADAEHM CC(=O)[N-]O[C@H]1CCCC1(C)C 306220597 345113689 /nfs/dbraw/zinc/11/36/89/345113689.db2.gz VAIGFKVEEBHMPD-QMMMGPOBSA-N -1 3 171.240 1.633 10 0 ADAEHM CC(=O)[N-]O[C@@H]1CCCC1(C)C 306220595 345113754 /nfs/dbraw/zinc/11/37/54/345113754.db2.gz VAIGFKVEEBHMPD-MRVPVSSYSA-N -1 3 171.240 1.633 10 0 ADAEHM Cc1ccc([O-])c(C(=O)N2CC2)c1 306231298 345124563 /nfs/dbraw/zinc/12/45/63/345124563.db2.gz BIEXNJAICKVQQK-UHFFFAOYSA-N -1 3 177.203 1.156 10 0 ADAEHM CNC(=O)c1c(C)n[n-]c1C(F)F 306235188 345128086 /nfs/dbraw/zinc/12/80/86/345128086.db2.gz DMPIDVQAIUDSRU-UHFFFAOYSA-N -1 3 189.165 1.015 10 0 ADAEHM CNC(=O)c1c(C(F)F)n[n-]c1C 306235188 345128087 /nfs/dbraw/zinc/12/80/87/345128087.db2.gz DMPIDVQAIUDSRU-UHFFFAOYSA-N -1 3 189.165 1.015 10 0 ADAEHM CSc1nc2onc(C)c2c(=O)[n-]1 306237755 345131051 /nfs/dbraw/zinc/13/10/51/345131051.db2.gz INRGRVCLTOCVFR-UHFFFAOYSA-N -1 3 197.219 1.354 10 0 ADAEHM Cc1noc([N-][C@H]2CCOC2(C)C)n1 306239083 345132016 /nfs/dbraw/zinc/13/20/16/345132016.db2.gz PWYUQFNIGCZUPC-ZETCQYMHSA-N -1 3 197.238 1.357 10 0 ADAEHM Cc1noc([N-][C@@H]2CCOC2(C)C)n1 306239073 345132209 /nfs/dbraw/zinc/13/22/09/345132209.db2.gz PWYUQFNIGCZUPC-SSDOTTSWSA-N -1 3 197.238 1.357 10 0 ADAEHM N#C[N-]C(=O)c1cc(F)ccc1Cl 306257188 345147928 /nfs/dbraw/zinc/14/79/28/345147928.db2.gz QLRMOHDUOQVSHS-UHFFFAOYSA-N -1 3 198.584 1.690 10 0 ADAEHM O=Cc1cc(=O)[n-]c(C2CCC2)n1 306284904 345168764 /nfs/dbraw/zinc/16/87/64/345168764.db2.gz SUTAMICXCCTLNW-UHFFFAOYSA-N -1 3 178.191 1.262 10 0 ADAEHM CC1(C)CCN(c2nc([O-])cs2)C1 306297275 345178389 /nfs/dbraw/zinc/17/83/89/345178389.db2.gz MZXARFWSAMIJGV-UHFFFAOYSA-N -1 3 198.291 1.348 10 0 ADAEHM O=c1[n-]ccc(F)c1Br 306297560 345178671 /nfs/dbraw/zinc/17/86/71/345178671.db2.gz IZOIZTRZNFZALX-UHFFFAOYSA-N -1 3 191.987 1.689 10 0 ADAEHM Cc1csc(C[N-]c2nnco2)n1 306312779 345192154 /nfs/dbraw/zinc/19/21/54/345192154.db2.gz NUWGJONMZOERJR-UHFFFAOYSA-N -1 3 196.235 1.447 10 0 ADAEHM Cc1cnoc1[N-]C(=O)C(F)(F)F 306313569 345192435 /nfs/dbraw/zinc/19/24/35/345192435.db2.gz ORJORMSBQNTKJI-UHFFFAOYSA-N -1 3 194.112 1.484 10 0 ADAEHM Cc1ncc(C[N-]c2nnco2)s1 306313977 345193096 /nfs/dbraw/zinc/19/30/96/345193096.db2.gz YFJQYVDHEFQUSA-UHFFFAOYSA-N -1 3 196.235 1.447 10 0 ADAEHM CCCOc1cncc([O-])c1 306314920 345193417 /nfs/dbraw/zinc/19/34/17/345193417.db2.gz PBJBDRXRCZLYLW-UHFFFAOYSA-N -1 3 153.181 1.576 10 0 ADAEHM [O-]c1cncc(-c2ccsn2)c1 306315941 345194020 /nfs/dbraw/zinc/19/40/20/345194020.db2.gz CLQUTZIFVGHTCF-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM COC(=O)Nc1cccc(C)c1[O-] 306317847 345196583 /nfs/dbraw/zinc/19/65/83/345196583.db2.gz UJCBRYBFJMXJST-UHFFFAOYSA-N -1 3 181.191 1.879 10 0 ADAEHM C[C@H]1CC[C@@H]1Nc1cc(=O)[n-]cn1 306327445 345204578 /nfs/dbraw/zinc/20/45/78/345204578.db2.gz XMTDQQRDGRVVSR-BQBZGAKWSA-N -1 3 179.223 1.393 10 0 ADAEHM C[C@@H]1CC[C@H]1Nc1cc(=O)[n-]cn1 306327449 345204735 /nfs/dbraw/zinc/20/47/35/345204735.db2.gz XMTDQQRDGRVVSR-RNFRBKRXSA-N -1 3 179.223 1.393 10 0 ADAEHM C[C@@H]1CC[C@@H]1Nc1cc(=O)[n-]cn1 306327451 345204754 /nfs/dbraw/zinc/20/47/54/345204754.db2.gz XMTDQQRDGRVVSR-RQJHMYQMSA-N -1 3 179.223 1.393 10 0 ADAEHM C[C@H]1CC[C@H]1Nc1cc(=O)[n-]cn1 306327447 345204767 /nfs/dbraw/zinc/20/47/67/345204767.db2.gz XMTDQQRDGRVVSR-NKWVEPMBSA-N -1 3 179.223 1.393 10 0 ADAEHM CC(=O)c1cnc(-c2csnn2)[n-]1 306331082 345208272 /nfs/dbraw/zinc/20/82/72/345208272.db2.gz PLPRTHIXGFZKGG-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC(=O)c1c[n-]c(-c2csnn2)n1 306331082 345208273 /nfs/dbraw/zinc/20/82/73/345208273.db2.gz PLPRTHIXGFZKGG-UHFFFAOYSA-N -1 3 194.219 1.131 10 0 ADAEHM CC1(C)C[C@@H]1NCc1ncccc1[O-] 306334689 345211192 /nfs/dbraw/zinc/21/11/92/345211192.db2.gz JATCQPIMYIRIKE-JTQLQIEISA-N -1 3 192.262 1.675 10 0 ADAEHM CC1(C)C[C@H]1NCc1ncccc1[O-] 306334690 345211265 /nfs/dbraw/zinc/21/12/65/345211265.db2.gz JATCQPIMYIRIKE-SNVBAGLBSA-N -1 3 192.262 1.675 10 0 ADAEHM COC(=O)Nc1cc(F)ccc1[O-] 306335454 345211782 /nfs/dbraw/zinc/21/17/82/345211782.db2.gz SDJVDROZFGPWHY-UHFFFAOYSA-N -1 3 185.154 1.710 10 0 ADAEHM [O-]c1cccnc1-c1ccsn1 306356590 345228310 /nfs/dbraw/zinc/22/83/10/345228310.db2.gz YENVQISLQHTCGP-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM Cn1cnc(-c2ncccc2[O-])c1 306357771 345228850 /nfs/dbraw/zinc/22/88/50/345228850.db2.gz WRBTTXMGHCDTOC-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM [O-]c1cccn2c3c(nc12)CCC3 306361628 345232121 /nfs/dbraw/zinc/23/21/21/345232121.db2.gz PWVGVIJTESAUPA-UHFFFAOYSA-N -1 3 174.203 1.529 10 0 ADAEHM CSC(C)(C)c1nc(N)cc(=O)[n-]1 306391385 345254815 /nfs/dbraw/zinc/25/48/15/345254815.db2.gz ATKAHZZROCNUAQ-UHFFFAOYSA-N -1 3 199.279 1.363 10 0 ADAEHM CC1(C)CCCN1c1nc([O-])cs1 306396228 345258248 /nfs/dbraw/zinc/25/82/48/345258248.db2.gz QTEOOELXYSDOAX-UHFFFAOYSA-N -1 3 198.291 1.490 10 0 ADAEHM CC1CN(Cc2ncccc2[O-])C1 306397418 345258716 /nfs/dbraw/zinc/25/87/16/345258716.db2.gz IVYMTTUQUBTYFO-UHFFFAOYSA-N -1 3 178.235 1.239 10 0 ADAEHM Cc1cc(F)c(F)c2[n-]c(=O)oc12 306400672 345261606 /nfs/dbraw/zinc/26/16/06/345261606.db2.gz AVAYWDJPBFSSIU-UHFFFAOYSA-N -1 3 185.129 1.708 10 0 ADAEHM O=C([N-]c1cnoc1)c1ccoc1 306402585 345262938 /nfs/dbraw/zinc/26/29/38/345262938.db2.gz QMNDJLQOCTYXQJ-UHFFFAOYSA-N -1 3 178.147 1.520 10 0 ADAEHM C[C@@H]1CCN(c2nc([O-])cs2)C1 306414987 345273047 /nfs/dbraw/zinc/27/30/47/345273047.db2.gz YTUYQOLRDCXYCF-ZCFIWIBFSA-N -1 3 184.264 1.695 10 0 ADAEHM C[C@H]1CCN(c2nc([O-])cs2)C1 306414986 345273385 /nfs/dbraw/zinc/27/33/85/345273385.db2.gz YTUYQOLRDCXYCF-LURJTMIESA-N -1 3 184.264 1.695 10 0 ADAEHM C=CC(=O)Nc1cc(F)ccc1[O-] 306415897 345273841 /nfs/dbraw/zinc/27/38/41/345273841.db2.gz QIJQIEMMXFNJOA-UHFFFAOYSA-N -1 3 181.166 1.656 10 0 ADAEHM [O-]c1cc(F)cc(-c2ncc[nH]2)c1 306428383 345284995 /nfs/dbraw/zinc/28/49/95/345284995.db2.gz MHSORCRKCNIRMA-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM CCCN(C)c1nc([O-])cs1 306435209 345295436 /nfs/dbraw/zinc/29/54/36/345295436.db2.gz BCAJJVXDPWYBHO-UHFFFAOYSA-N -1 3 172.253 1.695 10 0 ADAEHM Cc1cscc1[N-]S(C)(=O)=O 306436210 345296706 /nfs/dbraw/zinc/29/67/06/345296706.db2.gz COKVECITSMHWQY-UHFFFAOYSA-N -1 3 191.277 1.428 10 0 ADAEHM CC(C)c1nc(NO)cc(=O)[n-]1 306442554 345303217 /nfs/dbraw/zinc/30/32/17/345303217.db2.gz LBUZJODNDKBTDY-UHFFFAOYSA-N -1 3 169.184 1.107 10 0 ADAEHM CC(=O)c1cc([O-])c(Cl)cc1N 306451991 345312106 /nfs/dbraw/zinc/31/21/06/345312106.db2.gz TYUSDQWPJTYFSU-UHFFFAOYSA-N -1 3 185.610 1.830 10 0 ADAEHM CC1(C)CC[C@@H]1n1c(=O)[n-][nH]c1=S 306456311 345315939 /nfs/dbraw/zinc/31/59/39/345315939.db2.gz SEFSDNPYIBOUDX-YFKPBYRVSA-N -1 3 199.279 1.221 10 0 ADAEHM CC1(C)CC[C@H]1n1c(=O)[n-][nH]c1=S 306456310 345316117 /nfs/dbraw/zinc/31/61/17/345316117.db2.gz SEFSDNPYIBOUDX-RXMQYKEDSA-N -1 3 199.279 1.221 10 0 ADAEHM S=c1[n-]c([C@@H]2CCCO2)co1 306458919 345318009 /nfs/dbraw/zinc/31/80/09/345318009.db2.gz FYALIGPPULLPNI-LURJTMIESA-N -1 3 171.221 1.815 10 0 ADAEHM S=c1[n-]c([C@H]2CCCO2)co1 306458922 345318071 /nfs/dbraw/zinc/31/80/71/345318071.db2.gz FYALIGPPULLPNI-ZCFIWIBFSA-N -1 3 171.221 1.815 10 0 ADAEHM CC(C)(C)O[N-]C(=O)C1=COCC1 306463968 345323997 /nfs/dbraw/zinc/32/39/97/345323997.db2.gz ABWHBXIPOIRXEW-UHFFFAOYSA-N -1 3 185.223 1.137 10 0 ADAEHM [O-]c1csc(-c2ccc[nH]2)n1 306470879 345334239 /nfs/dbraw/zinc/33/42/39/345334239.db2.gz YDAFEJYPVPVTMP-UHFFFAOYSA-N -1 3 166.205 1.035 10 0 ADAEHM CO[N-]C(=O)[C@@H]1C=CCCC1 306471561 345334658 /nfs/dbraw/zinc/33/46/58/345334658.db2.gz ZITXPJDYGCIATI-SSDOTTSWSA-N -1 3 155.197 1.020 10 0 ADAEHM CO[N-]C(=O)c1cc[nH]c(=S)c1 306472175 345335698 /nfs/dbraw/zinc/33/56/98/345335698.db2.gz BSRJJYDUEAJIKJ-UHFFFAOYSA-N -1 3 184.220 1.035 10 0 ADAEHM CC(=O)c1cnc(-c2ncc[nH]2)[n-]1 306472927 345337068 /nfs/dbraw/zinc/33/70/68/345337068.db2.gz UIJCKWHJNHDZDK-UHFFFAOYSA-N -1 3 176.179 1.002 10 0 ADAEHM CC(=O)c1c[n-]c(-c2ncc[nH]2)n1 306472927 345337070 /nfs/dbraw/zinc/33/70/70/345337070.db2.gz UIJCKWHJNHDZDK-UHFFFAOYSA-N -1 3 176.179 1.002 10 0 ADAEHM CC(=O)c1c[n-]c(-c2cscn2)n1 306473824 345338293 /nfs/dbraw/zinc/33/82/93/345338293.db2.gz VKHXZZLQNPALTG-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CCN(C)c1nc([O-])cs1 306474972 345340011 /nfs/dbraw/zinc/34/00/11/345340011.db2.gz PHLTZYXRSLIYQO-UHFFFAOYSA-N -1 3 158.226 1.305 10 0 ADAEHM CON=C([O-])Nc1ncc(C)s1 306481749 345350612 /nfs/dbraw/zinc/35/06/12/345350612.db2.gz ODHWBOQHLGNXBN-UHFFFAOYSA-N -1 3 187.224 1.134 10 0 ADAEHM CO[N-]C(=O)Nc1ncc(C)s1 306481749 345350615 /nfs/dbraw/zinc/35/06/15/345350615.db2.gz ODHWBOQHLGNXBN-UHFFFAOYSA-N -1 3 187.224 1.134 10 0 ADAEHM O=C([N-]n1cccc1)C(F)(F)F 306482969 345351842 /nfs/dbraw/zinc/35/18/42/345351842.db2.gz JXLOEFDWVPRRNQ-UHFFFAOYSA-N -1 3 178.113 1.121 10 0 ADAEHM S=c1[n-]c2c(o1)CN(C1CC1)CC2 306484811 345353914 /nfs/dbraw/zinc/35/39/14/345353914.db2.gz QSAXIZGXCYLHFV-UHFFFAOYSA-N -1 3 196.275 1.484 10 0 ADAEHM CO[N-]C(=O)C(C)(C)C(C)(C)C 306484780 345353951 /nfs/dbraw/zinc/35/39/51/345353951.db2.gz QJDWIANDWQZQRP-UHFFFAOYSA-N -1 3 173.256 1.736 10 0 ADAEHM COC(=O)Nc1cc([O-])cc(F)c1 306489411 345360906 /nfs/dbraw/zinc/36/09/06/345360906.db2.gz LXLLSVCOGSZDOG-UHFFFAOYSA-N -1 3 185.154 1.710 10 0 ADAEHM [O-]c1cc(F)cc(-c2nc(O)c[nH]2)c1 306499012 345372585 /nfs/dbraw/zinc/37/25/85/345372585.db2.gz HFRVTBMNEPVISR-UHFFFAOYSA-N -1 3 194.165 1.627 10 0 ADAEHM CSc1n[n-]c([C@H]2CCCO2)n1 306532473 345404411 /nfs/dbraw/zinc/40/44/11/345404411.db2.gz JHUVYDATVSRPIG-RXMQYKEDSA-N -1 3 185.252 1.378 10 0 ADAEHM CC[C@H](NO)c1ccc([O-])c(F)c1 306532721 345404621 /nfs/dbraw/zinc/40/46/21/345404621.db2.gz MFQSWBDNHILBCE-QMMMGPOBSA-N -1 3 185.198 1.961 10 0 ADAEHM CSc1n[n-]c([C@@H]2CCCO2)n1 306532474 345404713 /nfs/dbraw/zinc/40/47/13/345404713.db2.gz JHUVYDATVSRPIG-YFKPBYRVSA-N -1 3 185.252 1.378 10 0 ADAEHM Cn1[n-]c(Cc2ccccc2)cc1=N 306532594 345404723 /nfs/dbraw/zinc/40/47/23/345404723.db2.gz BQHIZDHELAEOFU-UHFFFAOYSA-N -1 3 187.246 1.423 10 0 ADAEHM C[C@@H]1CCCN1c1nc([O-])cs1 306537656 345411052 /nfs/dbraw/zinc/41/10/52/345411052.db2.gz IYKSXAJTSRJXRA-ZCFIWIBFSA-N -1 3 184.264 1.837 10 0 ADAEHM C[C@H]1CCCN1c1nc([O-])cs1 306537654 345411115 /nfs/dbraw/zinc/41/11/15/345411115.db2.gz IYKSXAJTSRJXRA-LURJTMIESA-N -1 3 184.264 1.837 10 0 ADAEHM Cc1cc(=O)[n-]c(CNC(C)(C)C)n1 306549380 345424045 /nfs/dbraw/zinc/42/40/45/345424045.db2.gz YGUOPALKOWGRJF-UHFFFAOYSA-N -1 3 195.266 1.379 10 0 ADAEHM Cc1cc(=O)[n-]c(CC2CCC2)n1 306552130 345427714 /nfs/dbraw/zinc/42/77/14/345427714.db2.gz AWECUGGGWMOGED-UHFFFAOYSA-N -1 3 178.235 1.833 10 0 ADAEHM CNC(=O)Nc1c(C)cccc1[O-] 306554266 345429702 /nfs/dbraw/zinc/42/97/02/345429702.db2.gz FCIIKQNOKFDTHU-UHFFFAOYSA-N -1 3 180.207 1.452 10 0 ADAEHM CON=C([O-])Nc1cccc(C)n1 306559275 345435406 /nfs/dbraw/zinc/43/54/06/345435406.db2.gz PUWJXTPHEAWGPY-UHFFFAOYSA-N -1 3 181.195 1.073 10 0 ADAEHM CO[N-]C(=O)Nc1cccc(C)n1 306559275 345435409 /nfs/dbraw/zinc/43/54/09/345435409.db2.gz PUWJXTPHEAWGPY-UHFFFAOYSA-N -1 3 181.195 1.073 10 0 ADAEHM Cc1noc([N-]Cc2cnc(C)o2)n1 306571851 345449126 /nfs/dbraw/zinc/44/91/26/345449126.db2.gz HFSMPUWSSMAWMT-UHFFFAOYSA-N -1 3 194.194 1.287 10 0 ADAEHM Cn1cnc(-c2cncc([O-])c2)c1 306576636 345454032 /nfs/dbraw/zinc/45/40/32/345454032.db2.gz KORSMPKIXQXDQC-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM C[C@H](c1n[nH]c(=S)[n-]1)C(C)(F)F 306576920 345454141 /nfs/dbraw/zinc/45/41/41/345454141.db2.gz UIKWGMXVJWOSEA-GSVOUGTGSA-N -1 3 193.222 1.852 10 0 ADAEHM C[C@H](c1n[n-]c(=S)[nH]1)C(C)(F)F 306576920 345454144 /nfs/dbraw/zinc/45/41/44/345454144.db2.gz UIKWGMXVJWOSEA-GSVOUGTGSA-N -1 3 193.222 1.852 10 0 ADAEHM C[C@@H](c1n[nH]c(=S)[n-]1)C(C)(F)F 306576921 345454358 /nfs/dbraw/zinc/45/43/58/345454358.db2.gz UIKWGMXVJWOSEA-VKHMYHEASA-N -1 3 193.222 1.852 10 0 ADAEHM C[C@@H](c1n[n-]c(=S)[nH]1)C(C)(F)F 306576921 345454361 /nfs/dbraw/zinc/45/43/61/345454361.db2.gz UIKWGMXVJWOSEA-VKHMYHEASA-N -1 3 193.222 1.852 10 0 ADAEHM O=C([O-])C1CN(CC2=CCCC2)C1 306583286 345460488 /nfs/dbraw/zinc/46/04/88/345460488.db2.gz PPKRFMJCHCLUGE-UHFFFAOYSA-N -1 3 181.235 1.113 10 0 ADAEHM O=C([O-])c1cnccc1NCCF 306584363 345461335 /nfs/dbraw/zinc/46/13/35/345461335.db2.gz RRJFBHWZNACOQH-UHFFFAOYSA-N -1 3 184.170 1.161 10 0 ADAEHM Nc1cc([O-])cc2ncsc12 306592696 345469616 /nfs/dbraw/zinc/46/96/16/345469616.db2.gz DEFZYTLUJHSXFQ-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM Nc1ccnc(C(F)(F)F)c1[O-] 306593119 345470188 /nfs/dbraw/zinc/47/01/88/345470188.db2.gz DOYAJQPTUSYXQS-UHFFFAOYSA-N -1 3 178.113 1.388 10 0 ADAEHM Cc1cc(=S)n(-c2cccnc2)[n-]1 306609758 345484064 /nfs/dbraw/zinc/48/40/64/345484064.db2.gz ZDAHIDCIDBBUAU-UHFFFAOYSA-N -1 3 191.259 1.864 10 0 ADAEHM Cc1noc([N-][C@@H](CO)C(C)(C)C)n1 306616767 345490397 /nfs/dbraw/zinc/49/03/97/345490397.db2.gz PJENAXGTWMROIB-ZETCQYMHSA-N -1 3 199.254 1.197 10 0 ADAEHM Cc1noc([N-][C@H](CO)C(C)(C)C)n1 306616766 345490380 /nfs/dbraw/zinc/49/03/80/345490380.db2.gz PJENAXGTWMROIB-SSDOTTSWSA-N -1 3 199.254 1.197 10 0 ADAEHM CC[C@@H]([N-]c1nc(C)no1)C(C)(C)O 306617336 345490460 /nfs/dbraw/zinc/49/04/60/345490460.db2.gz QGGAPIIFUZMBQS-SSDOTTSWSA-N -1 3 199.254 1.339 10 0 ADAEHM CC[C@H]([N-]c1nc(C)no1)C(C)(C)O 306617337 345490624 /nfs/dbraw/zinc/49/06/24/345490624.db2.gz QGGAPIIFUZMBQS-ZETCQYMHSA-N -1 3 199.254 1.339 10 0 ADAEHM O=c1[n-]c(=O)c(NC2CCCC2)c[nH]1 306621791 345494218 /nfs/dbraw/zinc/49/42/18/345494218.db2.gz WDBRMVNSHRNCRO-UHFFFAOYSA-N -1 3 195.222 1.242 10 0 ADAEHM Nc1cc([O-])cnc1C(F)(F)F 306622906 345494809 /nfs/dbraw/zinc/49/48/09/345494809.db2.gz BDZYFFGFBMHVRE-UHFFFAOYSA-N -1 3 178.113 1.388 10 0 ADAEHM CCCCn1[n-]c(C)c(F)c1=O 306624883 345496377 /nfs/dbraw/zinc/49/63/77/345496377.db2.gz GBLMECXPLDOSHJ-ZETCQYMHSA-N -1 3 172.203 1.343 10 0 ADAEHM CCCCn1[n-]c(C)c(F)c1=O 306624882 345496532 /nfs/dbraw/zinc/49/65/32/345496532.db2.gz GBLMECXPLDOSHJ-SSDOTTSWSA-N -1 3 172.203 1.343 10 0 ADAEHM Fc1cc(=S)c(F)c[n-]1 306626684 345498326 /nfs/dbraw/zinc/49/83/26/345498326.db2.gz HZYXCDHMKINZLP-UHFFFAOYSA-N -1 3 147.149 1.649 10 0 ADAEHM Fc1ccc(=S)[n-]c1F 306641545 345509668 /nfs/dbraw/zinc/50/96/68/345509668.db2.gz QVTZRVUYXVARIB-UHFFFAOYSA-N -1 3 147.149 1.649 10 0 ADAEHM CC1(C)CC(n2c(=O)[n-][nH]c2=S)C1 306642620 345510984 /nfs/dbraw/zinc/51/09/84/345510984.db2.gz UFMHPRZCMSJQBJ-UHFFFAOYSA-N -1 3 199.279 1.221 10 0 ADAEHM CC1(C)OCc2oc(=S)[n-]c21 306650670 345517622 /nfs/dbraw/zinc/51/76/22/345517622.db2.gz FMJFGPJJUJZXRC-UHFFFAOYSA-N -1 3 171.221 1.729 10 0 ADAEHM C[S@@](=O)Nc1ccc([O-])c(F)c1 306661039 345525927 /nfs/dbraw/zinc/52/59/27/345525927.db2.gz NQLRHARKJVTVNQ-GFCCVEGCSA-N -1 3 189.211 1.237 10 0 ADAEHM C[S@](=O)Nc1ccc([O-])c(F)c1 306661040 345525955 /nfs/dbraw/zinc/52/59/55/345525955.db2.gz NQLRHARKJVTVNQ-LBPRGKRZSA-N -1 3 189.211 1.237 10 0 ADAEHM Cc1nc(-c2ccsn2)cc(=O)[n-]1 306672552 345533609 /nfs/dbraw/zinc/53/36/09/345533609.db2.gz HHCCJBUIMQJKTG-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM CSc1nc(=O)[n-]c(C)c1C(C)=O 306674437 345536092 /nfs/dbraw/zinc/53/60/92/345536092.db2.gz QHOHCDHBXVHOFS-UHFFFAOYSA-N -1 3 198.247 1.415 10 0 ADAEHM C/C(C(=O)[O-])=C1\CCN(C)C[C@H]1C 306679859 345541783 /nfs/dbraw/zinc/54/17/83/345541783.db2.gz JBNAKJNFBPDZMQ-HPWUZBQLSA-N -1 3 183.251 1.359 10 0 ADAEHM C/C(C(=O)[O-])=C1\CCN(C)C[C@@H]1C 306679860 345541849 /nfs/dbraw/zinc/54/18/49/345541849.db2.gz JBNAKJNFBPDZMQ-RDONPILCSA-N -1 3 183.251 1.359 10 0 ADAEHM [O-]c1csc(N2C3CCC2CC3)n1 306694650 345551848 /nfs/dbraw/zinc/55/18/48/345551848.db2.gz UYAPZJBCHWUHCA-UHFFFAOYSA-N -1 3 196.275 1.980 10 0 ADAEHM [O-]c1ccc(-c2ccsn2)nc1 306699887 345554734 /nfs/dbraw/zinc/55/47/34/345554734.db2.gz IUUPCUCHCZEMRR-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM C[C@H](O)c1nc(-c2ccco2)n[n-]1 306704061 345558258 /nfs/dbraw/zinc/55/82/58/345558258.db2.gz DIFXSKCCDUNMEX-YFKPBYRVSA-N -1 3 179.179 1.118 10 0 ADAEHM C[C@@H](O)c1nc(-c2ccco2)n[n-]1 306704056 345558283 /nfs/dbraw/zinc/55/82/83/345558283.db2.gz DIFXSKCCDUNMEX-RXMQYKEDSA-N -1 3 179.179 1.118 10 0 ADAEHM Cn1cnc(-c2ccc([O-])cn2)c1 306705298 345558980 /nfs/dbraw/zinc/55/89/80/345558980.db2.gz GTOBIGLFLRGRIV-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM COCc1nc(=O)c2ccsc2[n-]1 306712131 345565104 /nfs/dbraw/zinc/56/51/04/345565104.db2.gz TYLVLNGMQMYUNC-UHFFFAOYSA-N -1 3 196.231 1.543 10 0 ADAEHM O=c1cc(C(F)(F)F)cc(F)[n-]1 306714575 345566855 /nfs/dbraw/zinc/56/68/55/345566855.db2.gz FDZKXEDKYUCPHN-UHFFFAOYSA-N -1 3 181.088 1.945 10 0 ADAEHM COC(=O)Nc1c(C)cccc1[O-] 306720353 345571568 /nfs/dbraw/zinc/57/15/68/345571568.db2.gz ZKTUBDUXMZMSRP-UHFFFAOYSA-N -1 3 181.191 1.879 10 0 ADAEHM CNc1cc(C)c(C(=O)[O-])c(C)n1 306735066 345582137 /nfs/dbraw/zinc/58/21/37/345582137.db2.gz OZSWPRISUXCZHB-UHFFFAOYSA-N -1 3 180.207 1.438 10 0 ADAEHM S=c1[n-]c(-c2ccncn2)co1 306736885 345583665 /nfs/dbraw/zinc/58/36/65/345583665.db2.gz QSPZUAIZWTVNTH-UHFFFAOYSA-N -1 3 179.204 1.420 10 0 ADAEHM C[C@H]1[C@H](C)C[C@H]1n1c(=O)[n-][nH]c1=S 306747698 345589583 /nfs/dbraw/zinc/58/95/83/345589583.db2.gz JIELRZHRMPYIFV-NGJCXOISSA-N -1 3 199.279 1.077 10 0 ADAEHM C[C@@H]1C[C@H](n2c(=O)[n-][nH]c2=S)[C@@H]1C 306747699 345589681 /nfs/dbraw/zinc/58/96/81/345589681.db2.gz JIELRZHRMPYIFV-PBXRRBTRSA-N -1 3 199.279 1.077 10 0 ADAEHM C[C@@H]1C[C@@H](n2c(=O)[n-][nH]c2=S)[C@@H]1C 306747696 345589753 /nfs/dbraw/zinc/58/97/53/345589753.db2.gz JIELRZHRMPYIFV-HSUXUTPPSA-N -1 3 199.279 1.077 10 0 ADAEHM C[C@@H]1[C@@H](n2c(=O)[n-][nH]c2=S)C[C@H]1C 306747700 345589824 /nfs/dbraw/zinc/58/98/24/345589824.db2.gz JIELRZHRMPYIFV-SRQIZXRXSA-N -1 3 199.279 1.077 10 0 ADAEHM CC1=C(C)CN(/C=C/C(=O)[O-])CC1 306759432 345595848 /nfs/dbraw/zinc/59/58/48/345595848.db2.gz VHFFFPGBOPKTCL-GQCTYLIASA-N -1 3 181.235 1.627 10 0 ADAEHM Cc1ccnc(Sc2cn[n-]n2)n1 306763370 345599234 /nfs/dbraw/zinc/59/92/34/345599234.db2.gz GCEWULQVSGEYIG-UHFFFAOYSA-N -1 3 193.235 1.054 10 0 ADAEHM CSc1ccnc(=S)[n-]1 306768432 345602782 /nfs/dbraw/zinc/60/27/82/345602782.db2.gz PURQGPDJMIJXAB-UHFFFAOYSA-N -1 3 158.251 1.487 10 0 ADAEHM Cc1nc(-c2cnc[n-]c2=O)cs1 306769688 345603458 /nfs/dbraw/zinc/60/34/58/345603458.db2.gz QLEFHOLHTWRHAY-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM Cc1c(F)ccc2c([O-])coc12 306771582 345604419 /nfs/dbraw/zinc/60/44/19/345604419.db2.gz CPIWFATXDIIBQB-UHFFFAOYSA-N -1 3 166.151 1.709 10 0 ADAEHM C[C@@H]([N-]c1ncns1)C(F)(F)F 306780346 345609513 /nfs/dbraw/zinc/60/95/13/345609513.db2.gz BFWZTFQIDMQISX-GSVOUGTGSA-N -1 3 197.185 1.901 10 0 ADAEHM C[C@H]([N-]c1ncns1)C(F)(F)F 306780354 345609622 /nfs/dbraw/zinc/60/96/22/345609622.db2.gz BFWZTFQIDMQISX-VKHMYHEASA-N -1 3 197.185 1.901 10 0 ADAEHM CC1=CCCN(/C=C/C(=O)[O-])C1 306787190 345614364 /nfs/dbraw/zinc/61/43/64/345614364.db2.gz QFVWKWVKYZXXAZ-GQCTYLIASA-N -1 3 167.208 1.237 10 0 ADAEHM Cn1nc(C(C)(C)F)[n-]c1=S 306794106 345619716 /nfs/dbraw/zinc/61/97/16/345619716.db2.gz HNDUNIWKGNUAPH-UHFFFAOYSA-N -1 3 175.232 1.308 10 0 ADAEHM C[S@@](=O)Nc1ccc([O-])cc1F 306806286 345626772 /nfs/dbraw/zinc/62/67/72/345626772.db2.gz JFNXKJDBRFVJMZ-GFCCVEGCSA-N -1 3 189.211 1.237 10 0 ADAEHM O=c1ccnc(CC2CCCC2)[n-]1 306807035 345626897 /nfs/dbraw/zinc/62/68/97/345626897.db2.gz LJUSVHVQDOQVPQ-UHFFFAOYSA-N -1 3 178.235 1.915 10 0 ADAEHM C[S@](=O)Nc1ccc([O-])cc1F 306806287 345626959 /nfs/dbraw/zinc/62/69/59/345626959.db2.gz JFNXKJDBRFVJMZ-LBPRGKRZSA-N -1 3 189.211 1.237 10 0 ADAEHM C[S@@](=O)Nc1ccccc1[O-] 306807682 345627762 /nfs/dbraw/zinc/62/77/62/345627762.db2.gz NAPQPTIKNRUFGI-LLVKDONJSA-N -1 3 171.221 1.098 10 0 ADAEHM C[S@](=O)Nc1ccccc1[O-] 306807683 345627919 /nfs/dbraw/zinc/62/79/19/345627919.db2.gz NAPQPTIKNRUFGI-NSHDSACASA-N -1 3 171.221 1.098 10 0 ADAEHM Cc1cc(C(N)=O)c(C)cc1[O-] 306817909 345633466 /nfs/dbraw/zinc/63/34/66/345633466.db2.gz CJIQFZJQNDCZMF-UHFFFAOYSA-N -1 3 165.192 1.108 10 0 ADAEHM Cn1ncc(-c2cc(F)ccc2[O-])n1 306839564 345649287 /nfs/dbraw/zinc/64/92/87/345649287.db2.gz ZFMFMSHPCKKPMF-UHFFFAOYSA-N -1 3 193.181 1.327 10 0 ADAEHM CC1(C)C[C@@H]1c1cc(=O)[nH][n-]1 306843535 345652430 /nfs/dbraw/zinc/65/24/30/345652430.db2.gz DCDQEOCTMSBCQZ-RXMQYKEDSA-N -1 3 152.197 1.629 10 0 ADAEHM CNCc1cccc(C(=O)[O-])c1Cl 306844054 345652991 /nfs/dbraw/zinc/65/29/91/345652991.db2.gz DLRYRCJUGXPHJA-UHFFFAOYSA-N -1 3 199.637 1.758 10 0 ADAEHM [O-]c1cccnc1-c1ccns1 306845561 345653530 /nfs/dbraw/zinc/65/35/30/345653530.db2.gz GWOHKJKEOLKKRZ-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM COc1c([O-])cncc1C(F)(F)F 306847873 345655058 /nfs/dbraw/zinc/65/50/58/345655058.db2.gz KPKZNKABWAIQQO-UHFFFAOYSA-N -1 3 193.124 1.815 10 0 ADAEHM COC(=O)Nc1nc(C)ccc1[O-] 306847524 345655081 /nfs/dbraw/zinc/65/50/81/345655081.db2.gz LKBYSNWZAINYHM-UHFFFAOYSA-N -1 3 182.179 1.274 10 0 ADAEHM Cc1nc(-c2nnc(Cl)[n-]2)co1 306850284 345656806 /nfs/dbraw/zinc/65/68/06/345656806.db2.gz PCOHSKPAFRQDPL-UHFFFAOYSA-N -1 3 184.586 1.422 10 0 ADAEHM Cc1nc(-c2n[n-]c(Cl)n2)co1 306850284 345656809 /nfs/dbraw/zinc/65/68/09/345656809.db2.gz PCOHSKPAFRQDPL-UHFFFAOYSA-N -1 3 184.586 1.422 10 0 ADAEHM CCC1(Nc2cc(=O)[n-]cn2)CC1 306849996 345656845 /nfs/dbraw/zinc/65/68/45/345656845.db2.gz ORCHHPGXGWHYJM-UHFFFAOYSA-N -1 3 179.223 1.537 10 0 ADAEHM Cc1csc2c1[N-]C(=O)C2=O 306849985 345656891 /nfs/dbraw/zinc/65/68/91/345656891.db2.gz OPXHNTQZNGNZEX-UHFFFAOYSA-N -1 3 167.189 1.191 10 0 ADAEHM C[C@H]1CCN(c2nc([O-])cs2)[C@@H]1C 306854722 345658961 /nfs/dbraw/zinc/65/89/61/345658961.db2.gz VPAGQBKPNYKRTJ-NKWVEPMBSA-N -1 3 198.291 1.346 10 0 ADAEHM C[C@H]1[C@H](C)CCN1c1nc([O-])cs1 306854724 345659054 /nfs/dbraw/zinc/65/90/54/345659054.db2.gz VPAGQBKPNYKRTJ-RQJHMYQMSA-N -1 3 198.291 1.346 10 0 ADAEHM C[C@@H]1CCN(c2nc([O-])cs2)[C@@H]1C 306854723 345659184 /nfs/dbraw/zinc/65/91/84/345659184.db2.gz VPAGQBKPNYKRTJ-RNFRBKRXSA-N -1 3 198.291 1.346 10 0 ADAEHM C[C@H]1CCN(c2nc([O-])cs2)[C@H]1C 306854721 345659333 /nfs/dbraw/zinc/65/93/33/345659333.db2.gz VPAGQBKPNYKRTJ-BQBZGAKWSA-N -1 3 198.291 1.346 10 0 ADAEHM [O-]c1cccc(Cl)c1C1=NCCN1 306856960 345661027 /nfs/dbraw/zinc/66/10/27/345661027.db2.gz YZGGPLRAAJUDAC-UHFFFAOYSA-N -1 3 196.637 1.395 10 0 ADAEHM Cc1cc(F)c2occ([O-])c2c1 306858628 345662113 /nfs/dbraw/zinc/66/21/13/345662113.db2.gz ZPIQEOGAZSXNQP-UHFFFAOYSA-N -1 3 166.151 1.709 10 0 ADAEHM NC(=O)c1cc([O-])c2ccsc2c1 306875633 345673031 /nfs/dbraw/zinc/67/30/31/345673031.db2.gz BAEAZJOZMNACAI-UHFFFAOYSA-N -1 3 193.227 1.706 10 0 ADAEHM CN(c1nc([O-])cs1)C1CC1 306876825 345674346 /nfs/dbraw/zinc/67/43/46/345674346.db2.gz HRMIOWLRMMLWGE-UHFFFAOYSA-N -1 3 170.237 1.447 10 0 ADAEHM CC[C@H](C)ON=C([O-])OC 306880553 345677122 /nfs/dbraw/zinc/67/71/22/345677122.db2.gz KTFHTVQDZKNVTM-YFKPBYRVSA-N -1 3 147.174 1.073 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)OC 306880553 345677125 /nfs/dbraw/zinc/67/71/25/345677125.db2.gz KTFHTVQDZKNVTM-YFKPBYRVSA-N -1 3 147.174 1.073 10 0 ADAEHM CC[C@@H](C)ON=C([O-])OC 306880465 345677210 /nfs/dbraw/zinc/67/72/10/345677210.db2.gz KTFHTVQDZKNVTM-RXMQYKEDSA-N -1 3 147.174 1.073 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)OC 306880465 345677212 /nfs/dbraw/zinc/67/72/12/345677212.db2.gz KTFHTVQDZKNVTM-RXMQYKEDSA-N -1 3 147.174 1.073 10 0 ADAEHM Nc1ccc(Cl)c2occ([O-])c12 306884357 345681313 /nfs/dbraw/zinc/68/13/13/345681313.db2.gz LXNFUWGQUDHAFF-UHFFFAOYSA-N -1 3 183.594 1.497 10 0 ADAEHM CCCn1[n-]c(=O)c2ccccc21 306887418 345683804 /nfs/dbraw/zinc/68/38/04/345683804.db2.gz UJYLARMDLITGIE-UHFFFAOYSA-N -1 3 176.219 1.740 10 0 ADAEHM CC(C)(C)c1nc(C=O)cc(=O)[n-]1 306888256 345684586 /nfs/dbraw/zinc/68/45/86/345684586.db2.gz RSZGXJBMGVZHFS-UHFFFAOYSA-N -1 3 180.207 1.292 10 0 ADAEHM Cc1cc2c([O-])coc2c(F)c1F 306903283 345692632 /nfs/dbraw/zinc/69/26/32/345692632.db2.gz SAPDYYDDIBXTPI-UHFFFAOYSA-N -1 3 184.141 1.848 10 0 ADAEHM C/C=C/CNc1cc(=O)[n-]c(C)n1 306930599 345704694 /nfs/dbraw/zinc/70/46/94/345704694.db2.gz BLUBHZSIVZHECK-ONEGZZNKSA-N -1 3 179.223 1.479 10 0 ADAEHM CC[S@@](=O)Nc1c(C)cccc1[O-] 306947278 345713102 /nfs/dbraw/zinc/71/31/02/345713102.db2.gz PBMGGMNIGAAKNK-CYBMUJFWSA-N -1 3 199.275 1.796 10 0 ADAEHM CC[S@](=O)Nc1c(C)cccc1[O-] 306947279 345713192 /nfs/dbraw/zinc/71/31/92/345713192.db2.gz PBMGGMNIGAAKNK-ZDUSSCGKSA-N -1 3 199.275 1.796 10 0 ADAEHM Cc1cnc(Sc2cn[n-]n2)nc1 306954084 345716708 /nfs/dbraw/zinc/71/67/08/345716708.db2.gz NKEBFLODWGVWIU-UHFFFAOYSA-N -1 3 193.235 1.054 10 0 ADAEHM Cn1nc([C@]2(C)C[C@H]2F)[n-]c1=S 306956684 345718260 /nfs/dbraw/zinc/71/82/60/345718260.db2.gz RXBYQGWAKAGEJM-CLZZGJSISA-N -1 3 187.243 1.103 10 0 ADAEHM Cn1nc([C@]2(C)C[C@@H]2F)[n-]c1=S 306956687 345718273 /nfs/dbraw/zinc/71/82/73/345718273.db2.gz RXBYQGWAKAGEJM-MHTLYPKNSA-N -1 3 187.243 1.103 10 0 ADAEHM Cn1nc([C@@]2(C)C[C@@H]2F)[n-]c1=S 306956686 345718415 /nfs/dbraw/zinc/71/84/15/345718415.db2.gz RXBYQGWAKAGEJM-FFWSUHOLSA-N -1 3 187.243 1.103 10 0 ADAEHM CSc1nc2cnccc2c(=O)[n-]1 306958735 345718882 /nfs/dbraw/zinc/71/88/82/345718882.db2.gz WFYRYDQPGDUUNZ-UHFFFAOYSA-N -1 3 193.231 1.452 10 0 ADAEHM CC(=O)c1nc([O-])cs1 306959929 345719474 /nfs/dbraw/zinc/71/94/74/345719474.db2.gz AKFZXDFWGSQRFM-UHFFFAOYSA-N -1 3 143.167 1.051 10 0 ADAEHM Cn1ncnc1-c1cc([O-])cc(F)c1 306959809 345719579 /nfs/dbraw/zinc/71/95/79/345719579.db2.gz AHDBFLGDHGJRJW-UHFFFAOYSA-N -1 3 193.181 1.327 10 0 ADAEHM CCNc1nc(=O)c2sccc2[n-]1 306966165 345723382 /nfs/dbraw/zinc/72/33/82/345723382.db2.gz LBESSIVWEVCZPL-UHFFFAOYSA-N -1 3 195.247 1.829 10 0 ADAEHM Cc1ccc(C(=O)N2CC2)c([O-])c1 306975995 345729405 /nfs/dbraw/zinc/72/94/05/345729405.db2.gz CEDFNLDEGRIGHQ-UHFFFAOYSA-N -1 3 177.203 1.156 10 0 ADAEHM COc1c[n-]c(C(F)(F)F)cc1=O 306983553 345733714 /nfs/dbraw/zinc/73/37/14/345733714.db2.gz TVIADFHELNJLHW-UHFFFAOYSA-N -1 3 193.124 1.815 10 0 ADAEHM Cc1nc(-c2cc(=O)[n-]cn2)cs1 307013062 345752288 /nfs/dbraw/zinc/75/22/88/345752288.db2.gz QRGFFQMLSFRQRF-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM CO[N-]C(=O)/C=C/c1nc(C)cs1 307019267 345757053 /nfs/dbraw/zinc/75/70/53/345757053.db2.gz RYBFZPJCEPFPNB-ONEGZZNKSA-N -1 3 198.247 1.142 10 0 ADAEHM Cc1c(-c2ccns2)nc[n-]c1=O 307024788 345761188 /nfs/dbraw/zinc/76/11/88/345761188.db2.gz ZLKDLBHMBSEOCQ-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM CN(c1nc([O-])cs1)C1CCC1 307025192 345761558 /nfs/dbraw/zinc/76/15/58/345761558.db2.gz GWQGNQHNMZAGRO-UHFFFAOYSA-N -1 3 184.264 1.837 10 0 ADAEHM C[C@@]1(c2nccc(=O)[n-]2)CCCS1 307026217 345762998 /nfs/dbraw/zinc/76/29/98/345762998.db2.gz JFFKBSVFQYLZSZ-VIFPVBQESA-N -1 3 196.275 1.924 10 0 ADAEHM C[C@]1(c2nccc(=O)[n-]2)CCCS1 307026216 345763224 /nfs/dbraw/zinc/76/32/24/345763224.db2.gz JFFKBSVFQYLZSZ-SECBINFHSA-N -1 3 196.275 1.924 10 0 ADAEHM CC(C)C1(n2c(=O)[n-][nH]c2=S)CC1 307031037 345766938 /nfs/dbraw/zinc/76/69/38/345766938.db2.gz OMJLXMNFKODICT-UHFFFAOYSA-N -1 3 199.279 1.005 10 0 ADAEHM [O-]c1cnc(F)c(C(F)(F)F)c1 307037808 345770406 /nfs/dbraw/zinc/77/04/06/345770406.db2.gz FHKDUWIEXZFXGG-UHFFFAOYSA-N -1 3 181.088 1.945 10 0 ADAEHM CO[N-]C(=O)OC1CCCC1 307043542 345774830 /nfs/dbraw/zinc/77/48/30/345774830.db2.gz MYHKXUMCZWWOHS-UHFFFAOYSA-N -1 3 159.185 1.217 10 0 ADAEHM CC(C)[C@@H](C)c1nccc(=O)[n-]1 307039007 345771118 /nfs/dbraw/zinc/77/11/18/345771118.db2.gz GSFWBKJDNMTXCA-SSDOTTSWSA-N -1 3 166.224 1.942 10 0 ADAEHM CC(C)[C@H](C)c1nccc(=O)[n-]1 307039008 345771266 /nfs/dbraw/zinc/77/12/66/345771266.db2.gz GSFWBKJDNMTXCA-ZETCQYMHSA-N -1 3 166.224 1.942 10 0 ADAEHM CON=C([O-])OC1CCCC1 307043542 345774827 /nfs/dbraw/zinc/77/48/27/345774827.db2.gz MYHKXUMCZWWOHS-UHFFFAOYSA-N -1 3 159.185 1.217 10 0 ADAEHM Nc1nsc([N-]c2ccsc2)n1 307051497 345780192 /nfs/dbraw/zinc/78/01/92/345780192.db2.gz IXSQZRNDNPLEOJ-UHFFFAOYSA-N -1 3 198.276 1.925 10 0 ADAEHM CC1(C)CN(c2nc([O-])cs2)C1 307052438 345780837 /nfs/dbraw/zinc/78/08/37/345780837.db2.gz OLVGDDOPTKOVOK-UHFFFAOYSA-N -1 3 184.264 1.695 10 0 ADAEHM CC(C)N(C)c1nc([O-])cs1 307054190 345781119 /nfs/dbraw/zinc/78/11/19/345781119.db2.gz WVNNBNGNEXIOCF-UHFFFAOYSA-N -1 3 172.253 1.693 10 0 ADAEHM CC(C)OCc1n[n-]c(Cl)n1 307054885 345781912 /nfs/dbraw/zinc/78/19/12/345781912.db2.gz XZPLXSHUBPXFIJ-UHFFFAOYSA-N -1 3 175.619 1.383 10 0 ADAEHM CC(C)OCc1nc(Cl)n[n-]1 307054885 345781916 /nfs/dbraw/zinc/78/19/16/345781916.db2.gz XZPLXSHUBPXFIJ-UHFFFAOYSA-N -1 3 175.619 1.383 10 0 ADAEHM CSc1cccc2c([O-])coc12 307056910 345783247 /nfs/dbraw/zinc/78/32/47/345783247.db2.gz DOWVVCPOBRXDGN-UHFFFAOYSA-N -1 3 180.228 1.984 10 0 ADAEHM [O-]c1csc(N2C[C@H]3C[C@H]3C2)n1 307061832 345787178 /nfs/dbraw/zinc/78/71/78/345787178.db2.gz LWWYSSOLISPKJE-OLQVQODUSA-N -1 3 182.248 1.305 10 0 ADAEHM Clc1nnc(Cl)c2[n-]cnc12 307070274 345792130 /nfs/dbraw/zinc/79/21/30/345792130.db2.gz VINZGTAJUYIHNY-UHFFFAOYSA-N -1 3 189.005 1.611 10 0 ADAEHM Clc1n[n-]c(Cl)c2ncnc1-2 307070274 345792131 /nfs/dbraw/zinc/79/21/31/345792131.db2.gz VINZGTAJUYIHNY-UHFFFAOYSA-N -1 3 189.005 1.611 10 0 ADAEHM Cc1ccc(N[S@@](C)=O)c([O-])c1 307090230 345803937 /nfs/dbraw/zinc/80/39/37/345803937.db2.gz WDJBIEMTRZUMMD-GFCCVEGCSA-N -1 3 185.248 1.406 10 0 ADAEHM Cc1ccc(N[S@](C)=O)c([O-])c1 307090231 345803995 /nfs/dbraw/zinc/80/39/95/345803995.db2.gz WDJBIEMTRZUMMD-LBPRGKRZSA-N -1 3 185.248 1.406 10 0 ADAEHM CC1=CCN(/C=C/C(=O)[O-])CC1 307089952 345804021 /nfs/dbraw/zinc/80/40/21/345804021.db2.gz VQVAGCSPZMFHPS-QPJJXVBHSA-N -1 3 167.208 1.237 10 0 ADAEHM C[C@@H]1CN(C)CC/C1=C(\F)C(=O)[O-] 307108908 345814921 /nfs/dbraw/zinc/81/49/21/345814921.db2.gz KDBVLLRNOZOTNW-UCTBAKFRSA-N -1 3 187.214 1.266 10 0 ADAEHM C[C@H]1CN(C)CC/C1=C(\F)C(=O)[O-] 307108898 345815058 /nfs/dbraw/zinc/81/50/58/345815058.db2.gz KDBVLLRNOZOTNW-KRHCVIHDSA-N -1 3 187.214 1.266 10 0 ADAEHM Cc1cscc1N1CC(=O)[N-]C1=O 307110524 345815627 /nfs/dbraw/zinc/81/56/27/345815627.db2.gz MAIVULQOVPYPPC-UHFFFAOYSA-N -1 3 196.231 1.113 10 0 ADAEHM [O-]c1cc(F)cc(-n2ccnc2)c1 307141042 345834625 /nfs/dbraw/zinc/83/46/25/345834625.db2.gz IOGLEKLZJUUFKW-UHFFFAOYSA-N -1 3 178.166 1.717 10 0 ADAEHM C/C=C/CNc1cc(=O)[n-]cn1 307153510 345846243 /nfs/dbraw/zinc/84/62/43/345846243.db2.gz JZGNYNBGKFTKJM-NSCUHMNNSA-N -1 3 165.196 1.170 10 0 ADAEHM c1ccc(C[N-]c2nnco2)nc1 307157468 345849128 /nfs/dbraw/zinc/84/91/28/345849128.db2.gz YEPVYRQDFSHHNC-UHFFFAOYSA-N -1 3 176.179 1.077 10 0 ADAEHM Clc1n[n-]c(CN2CCCC2)n1 307159172 345851241 /nfs/dbraw/zinc/85/12/41/345851241.db2.gz JBOXVLUTKGMCLO-UHFFFAOYSA-N -1 3 186.646 1.054 10 0 ADAEHM [O-]c1csc(N2CCC2)n1 307162261 345854142 /nfs/dbraw/zinc/85/41/42/345854142.db2.gz YCVVGSCYTNHWFW-UHFFFAOYSA-N -1 3 156.210 1.059 10 0 ADAEHM O=c1ccn(CCF)c(=S)[n-]1 307161910 345854157 /nfs/dbraw/zinc/85/41/57/345854157.db2.gz XQZVJAOXZCHWRG-UHFFFAOYSA-N -1 3 174.200 1.288 10 0 ADAEHM Cc1nc(CN2CCC2)[n-]c(=O)c1C 307169286 345862364 /nfs/dbraw/zinc/86/23/64/345862364.db2.gz XSCIHCFQRRRWNF-UHFFFAOYSA-N -1 3 193.250 1.005 10 0 ADAEHM CC[C@@]1(C)C[C@H]1n1c(=O)[n-][nH]c1=S 307172860 345864639 /nfs/dbraw/zinc/86/46/39/345864639.db2.gz CBHLHQWJNNSEDL-XRGYYRRGSA-N -1 3 199.279 1.221 10 0 ADAEHM CC[C@]1(C)C[C@H]1n1c(=O)[n-][nH]c1=S 307172858 345864828 /nfs/dbraw/zinc/86/48/28/345864828.db2.gz CBHLHQWJNNSEDL-SVGQVSJJSA-N -1 3 199.279 1.221 10 0 ADAEHM CC[C@]1(C)C[C@@H]1n1c(=O)[n-][nH]c1=S 307172861 345864914 /nfs/dbraw/zinc/86/49/14/345864914.db2.gz CBHLHQWJNNSEDL-YLWLKBPMSA-N -1 3 199.279 1.221 10 0 ADAEHM CC[C@@]1(C)C[C@@H]1n1c(=O)[n-][nH]c1=S 307172859 345865062 /nfs/dbraw/zinc/86/50/62/345865062.db2.gz CBHLHQWJNNSEDL-XNCJUZBTSA-N -1 3 199.279 1.221 10 0 ADAEHM Nc1ccc2ncsc2c1[O-] 307178993 345868513 /nfs/dbraw/zinc/86/85/13/345868513.db2.gz KYTSWPOSEAMEJW-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM O=c1c2ccccc2oc2nc[n-]c12 307183371 345871781 /nfs/dbraw/zinc/87/17/81/345871781.db2.gz XPYMHYSLYNQZHA-UHFFFAOYSA-N -1 3 186.170 1.669 10 0 ADAEHM O=c1[n-]c(F)ccc1C(F)(F)F 307186883 345874179 /nfs/dbraw/zinc/87/41/79/345874179.db2.gz NPTMBRGYWSQELV-UHFFFAOYSA-N -1 3 181.088 1.945 10 0 ADAEHM Cc1ncc(-c2ncccc2[O-])n1C 307187302 345875050 /nfs/dbraw/zinc/87/50/50/345875050.db2.gz OPXUGPXOAZSPFI-UHFFFAOYSA-N -1 3 189.218 1.496 10 0 ADAEHM Cn1ncc(-c2ccccc2[O-])n1 307190539 345876606 /nfs/dbraw/zinc/87/66/06/345876606.db2.gz ZQWSCBIOZVZKSA-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM CCc1cc(=S)n([C@@H]2CCOC2)[n-]1 307191614 345877195 /nfs/dbraw/zinc/87/71/95/345877195.db2.gz ZWEFCNVIUWJFSQ-MRVPVSSYSA-N -1 3 198.291 1.696 10 0 ADAEHM CCc1cc(=S)n([C@H]2CCOC2)[n-]1 307191615 345877207 /nfs/dbraw/zinc/87/72/07/345877207.db2.gz ZWEFCNVIUWJFSQ-QMMMGPOBSA-N -1 3 198.291 1.696 10 0 ADAEHM CC(=O)Nc1cc([O-])cc(F)c1 307194782 345880516 /nfs/dbraw/zinc/88/05/16/345880516.db2.gz QAAJPVFVPZKQOR-UHFFFAOYSA-N -1 3 169.155 1.490 10 0 ADAEHM Cc1nc(-c2ccns2)cc(=O)[n-]1 307198247 345883765 /nfs/dbraw/zinc/88/37/65/345883765.db2.gz UWPSKVAXGCEXGA-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM CCNCc1sc(=O)[n-]c1Cl 307207866 345891143 /nfs/dbraw/zinc/89/11/43/345891143.db2.gz NIWMLFYKHHRWAF-UHFFFAOYSA-N -1 3 192.671 1.199 10 0 ADAEHM C[C@@H]1CN(c2nc([O-])cs2)C[C@@H]1C 307208518 345891997 /nfs/dbraw/zinc/89/19/97/345891997.db2.gz OECGYDYVCLGIID-KNVOCYPGSA-N -1 3 198.291 1.941 10 0 ADAEHM C[C@@H]1CN(c2nc([O-])cs2)C[C@H]1C 307208519 345892020 /nfs/dbraw/zinc/89/20/20/345892020.db2.gz OECGYDYVCLGIID-RNFRBKRXSA-N -1 3 198.291 1.941 10 0 ADAEHM O=c1cc(-c2cscn2)nc[n-]1 307208153 345892183 /nfs/dbraw/zinc/89/21/83/345892183.db2.gz NVONXYJADNYLNE-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM C[C@H]1CN(c2nc([O-])cs2)C[C@@H]1C 307208517 345892249 /nfs/dbraw/zinc/89/22/49/345892249.db2.gz OECGYDYVCLGIID-BQBZGAKWSA-N -1 3 198.291 1.941 10 0 ADAEHM [O-]c1ccc(-c2ccns2)nc1 307210100 345893484 /nfs/dbraw/zinc/89/34/84/345893484.db2.gz LZULMTQPGQMVSK-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM C/C=C/Cn1ccc(=O)[n-]c1=S 307215743 345897206 /nfs/dbraw/zinc/89/72/06/345897206.db2.gz BIAAQBDYQNMNQJ-NSCUHMNNSA-N -1 3 182.248 1.894 10 0 ADAEHM O=c1cc(-c2ccsn2)nc[n-]1 307219067 345899081 /nfs/dbraw/zinc/89/90/81/345899081.db2.gz NSHPFLXDFMEJJD-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM Cc1cocc1-c1n[n-]c(=O)s1 307227565 345904833 /nfs/dbraw/zinc/90/48/33/345904833.db2.gz WVLZJNVZZGFSJE-UHFFFAOYSA-N -1 3 182.204 1.400 10 0 ADAEHM Cc1ncncc1-c1nnc(Cl)[n-]1 307228245 345905131 /nfs/dbraw/zinc/90/51/31/345905131.db2.gz HKJOQAXXZZZZHR-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1ncncc1-c1n[n-]c(Cl)n1 307228245 345905133 /nfs/dbraw/zinc/90/51/33/345905133.db2.gz HKJOQAXXZZZZHR-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1ncncc1-c1nc(Cl)n[n-]1 307228245 345905136 /nfs/dbraw/zinc/90/51/36/345905136.db2.gz HKJOQAXXZZZZHR-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM C/C=C/CNC(=O)c1cccc([O-])c1 307230947 345907695 /nfs/dbraw/zinc/90/76/95/345907695.db2.gz DCXWFTNGTKOVOL-NSCUHMNNSA-N -1 3 191.230 1.698 10 0 ADAEHM C[C@H]1CC[C@@H](c2nc(Cl)n[n-]2)O1 307240622 345915857 /nfs/dbraw/zinc/91/58/57/345915857.db2.gz HDYBBXQEWHRCDI-WHFBIAKZSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@H]1CC[C@@H](c2nnc(Cl)[n-]2)O1 307240622 345915852 /nfs/dbraw/zinc/91/58/52/345915852.db2.gz HDYBBXQEWHRCDI-WHFBIAKZSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@H]1CC[C@@H](c2n[n-]c(Cl)n2)O1 307240622 345915855 /nfs/dbraw/zinc/91/58/55/345915855.db2.gz HDYBBXQEWHRCDI-WHFBIAKZSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@@H]1CC[C@H](c2nnc(Cl)[n-]2)O1 307240620 345915877 /nfs/dbraw/zinc/91/58/77/345915877.db2.gz HDYBBXQEWHRCDI-RFZPGFLSSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@@H]1CC[C@H](c2n[n-]c(Cl)n2)O1 307240620 345915879 /nfs/dbraw/zinc/91/58/79/345915879.db2.gz HDYBBXQEWHRCDI-RFZPGFLSSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@@H]1CC[C@H](c2nc(Cl)n[n-]2)O1 307240620 345915881 /nfs/dbraw/zinc/91/58/81/345915881.db2.gz HDYBBXQEWHRCDI-RFZPGFLSSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@@H]1CC[C@@H](c2nnc(Cl)[n-]2)O1 307240621 345915898 /nfs/dbraw/zinc/91/58/98/345915898.db2.gz HDYBBXQEWHRCDI-UHNVWZDZSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@@H]1CC[C@@H](c2n[n-]c(Cl)n2)O1 307240621 345915899 /nfs/dbraw/zinc/91/58/99/345915899.db2.gz HDYBBXQEWHRCDI-UHNVWZDZSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@@H]1CC[C@@H](c2nc(Cl)n[n-]2)O1 307240621 345915902 /nfs/dbraw/zinc/91/59/02/345915902.db2.gz HDYBBXQEWHRCDI-UHNVWZDZSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@H]1CC[C@H](c2nnc(Cl)[n-]2)O1 307240619 345915910 /nfs/dbraw/zinc/91/59/10/345915910.db2.gz HDYBBXQEWHRCDI-CRCLSJGQSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@H]1CC[C@H](c2n[n-]c(Cl)n2)O1 307240619 345915912 /nfs/dbraw/zinc/91/59/12/345915912.db2.gz HDYBBXQEWHRCDI-CRCLSJGQSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@H]1CC[C@H](c2nc(Cl)n[n-]2)O1 307240619 345915915 /nfs/dbraw/zinc/91/59/15/345915915.db2.gz HDYBBXQEWHRCDI-CRCLSJGQSA-N -1 3 187.630 1.698 10 0 ADAEHM C[C@H](Nc1cc(=O)[n-]cn1)C(F)F 307246601 345919773 /nfs/dbraw/zinc/91/97/73/345919773.db2.gz YIWDUKZGHNHHTI-BYPYZUCNSA-N -1 3 189.165 1.248 10 0 ADAEHM C[C@@H](Nc1cc(=O)[n-]cn1)C(F)F 307246602 345919879 /nfs/dbraw/zinc/91/98/79/345919879.db2.gz YIWDUKZGHNHHTI-SCSAIBSYSA-N -1 3 189.165 1.248 10 0 ADAEHM Cc1cccc(C(=O)N2CC2)c1[O-] 307257515 345928662 /nfs/dbraw/zinc/92/86/62/345928662.db2.gz BZWMSCNFTGULIM-UHFFFAOYSA-N -1 3 177.203 1.156 10 0 ADAEHM CC1CN(Cc2ccc([O-])cn2)C1 307257976 345929059 /nfs/dbraw/zinc/92/90/59/345929059.db2.gz BIRSQKYDHRLBTL-UHFFFAOYSA-N -1 3 178.235 1.239 10 0 ADAEHM O=c1nc(-c2cscn2)c(F)c[n-]1 307269930 345937511 /nfs/dbraw/zinc/93/75/11/345937511.db2.gz HHEZWRMNYSUYBM-UHFFFAOYSA-N -1 3 197.194 1.445 10 0 ADAEHM Cc1c(-c2cscn2)nc[n-]c1=O 307287254 345948519 /nfs/dbraw/zinc/94/85/19/345948519.db2.gz UDUXFZGSWJDGHP-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM COCCc1oc(=S)[n-]c1C 307304650 345958295 /nfs/dbraw/zinc/95/82/95/345958295.db2.gz BZAMKKYRHJUCFD-UHFFFAOYSA-N -1 3 173.237 1.461 10 0 ADAEHM O=C(c1cc([S-])cs1)N1CCC1 307306300 345959486 /nfs/dbraw/zinc/95/94/86/345959486.db2.gz JPSGLNMWGYKABD-UHFFFAOYSA-N -1 3 199.300 1.883 10 0 ADAEHM C[C@@H]([N-]c1nncs1)C(F)(F)F 307316052 345966225 /nfs/dbraw/zinc/96/62/25/345966225.db2.gz APBVLCRQRZRQEJ-GSVOUGTGSA-N -1 3 197.185 1.901 10 0 ADAEHM C[C@H]([N-]c1nncs1)C(F)(F)F 307316053 345966337 /nfs/dbraw/zinc/96/63/37/345966337.db2.gz APBVLCRQRZRQEJ-VKHMYHEASA-N -1 3 197.185 1.901 10 0 ADAEHM CC[S@@](=O)Nc1ccc(C)cc1[O-] 307317272 345967202 /nfs/dbraw/zinc/96/72/02/345967202.db2.gz OLFWDDAHIAWYIZ-CYBMUJFWSA-N -1 3 199.275 1.796 10 0 ADAEHM CC[S@](=O)Nc1ccc(C)cc1[O-] 307317273 345967359 /nfs/dbraw/zinc/96/73/59/345967359.db2.gz OLFWDDAHIAWYIZ-ZDUSSCGKSA-N -1 3 199.275 1.796 10 0 ADAEHM Cc1ccc(-c2nnc(Cl)[n-]2)nc1 307333615 345977273 /nfs/dbraw/zinc/97/72/73/345977273.db2.gz ASZDSJIEYSQUKP-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1ccc(-c2n[n-]c(Cl)n2)nc1 307333615 345977275 /nfs/dbraw/zinc/97/72/75/345977275.db2.gz ASZDSJIEYSQUKP-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM Cc1ccc(-c2nc(Cl)n[n-]2)nc1 307333615 345977277 /nfs/dbraw/zinc/97/72/77/345977277.db2.gz ASZDSJIEYSQUKP-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM O=c1nc(-c2ccsn2)c(F)c[n-]1 307334626 345977780 /nfs/dbraw/zinc/97/77/80/345977780.db2.gz RAIKFWUHVDTWOC-UHFFFAOYSA-N -1 3 197.194 1.445 10 0 ADAEHM Cc1cccc([O-])c1N[S@](C)=O 307346183 345984826 /nfs/dbraw/zinc/98/48/26/345984826.db2.gz WNKLIRZHCNBIIP-LBPRGKRZSA-N -1 3 185.248 1.406 10 0 ADAEHM Cc1cccc([O-])c1N[S@@](C)=O 307346177 345984855 /nfs/dbraw/zinc/98/48/55/345984855.db2.gz WNKLIRZHCNBIIP-GFCCVEGCSA-N -1 3 185.248 1.406 10 0 ADAEHM S=c1ncc2sccc2[n-]1 307458727 346053486 /nfs/dbraw/zinc/05/34/86/346053486.db2.gz DTUNAUYGSZGOFG-UHFFFAOYSA-N -1 3 168.246 1.980 10 0 ADAEHM O=c1nc(-c2ccns2)c(F)c[n-]1 307373584 346002250 /nfs/dbraw/zinc/00/22/50/346002250.db2.gz RXHOXSRGKBEFLL-UHFFFAOYSA-N -1 3 197.194 1.445 10 0 ADAEHM Cc1cocc1-c1cnc[n-]c1=O 307378935 346004723 /nfs/dbraw/zinc/00/47/23/346004723.db2.gz YDKVNNUTWTVNKV-UHFFFAOYSA-N -1 3 176.175 1.751 10 0 ADAEHM COc1ccc(C)c2c([O-])coc12 307382823 346007474 /nfs/dbraw/zinc/00/74/74/346007474.db2.gz BKCGDUFLTFIHAZ-UHFFFAOYSA-N -1 3 178.187 1.579 10 0 ADAEHM C[C@H]1C[C@H]1c1cc(=O)[nH][n-]1 307399721 346018011 /nfs/dbraw/zinc/01/80/11/346018011.db2.gz AJVPUVDHEVLXBW-CRCLSJGQSA-N -1 3 138.170 1.239 10 0 ADAEHM C[C@H]1C[C@@H]1c1cc(=O)[nH][n-]1 307399724 346017888 /nfs/dbraw/zinc/01/78/88/346017888.db2.gz AJVPUVDHEVLXBW-WHFBIAKZSA-N -1 3 138.170 1.239 10 0 ADAEHM C[C@@H]1C[C@@H]1c1cc(=O)[nH][n-]1 307399723 346018026 /nfs/dbraw/zinc/01/80/26/346018026.db2.gz AJVPUVDHEVLXBW-UHNVWZDZSA-N -1 3 138.170 1.239 10 0 ADAEHM C[C@@H]1C[C@H]1c1cc(=O)[nH][n-]1 307399722 346018048 /nfs/dbraw/zinc/01/80/48/346018048.db2.gz AJVPUVDHEVLXBW-RFZPGFLSSA-N -1 3 138.170 1.239 10 0 ADAEHM C[S@](=O)Nc1cc(F)ccc1[O-] 307403200 346020631 /nfs/dbraw/zinc/02/06/31/346020631.db2.gz CJRDJDIETXTKIB-LBPRGKRZSA-N -1 3 189.211 1.237 10 0 ADAEHM C[S@@](=O)Nc1cc(F)ccc1[O-] 307403199 346020633 /nfs/dbraw/zinc/02/06/33/346020633.db2.gz CJRDJDIETXTKIB-GFCCVEGCSA-N -1 3 189.211 1.237 10 0 ADAEHM CC(C)(C)C(C)(C)N1CC(=O)[N-]C1=O 307427457 346034756 /nfs/dbraw/zinc/03/47/56/346034756.db2.gz GRKBGUYCSOGRKM-UHFFFAOYSA-N -1 3 198.266 1.363 10 0 ADAEHM CSC(C)(C)c1nccc(=O)[n-]1 307446047 346045203 /nfs/dbraw/zinc/04/52/03/346045203.db2.gz GBIMALFDIJTLRV-UHFFFAOYSA-N -1 3 184.264 1.780 10 0 ADAEHM Nc1c([O-])ccc2ncsc12 307448597 346046398 /nfs/dbraw/zinc/04/63/98/346046398.db2.gz LALPAIAXBIRUHG-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM Cc1cc(-c2n[n-]c(=O)s2)sn1 307453149 346049441 /nfs/dbraw/zinc/04/94/41/346049441.db2.gz ZMTBGZCQNKFLNE-UHFFFAOYSA-N -1 3 199.260 1.263 10 0 ADAEHM CCO[N-]C(=O)C1CC(F)(F)C1 307458454 346052632 /nfs/dbraw/zinc/05/26/32/346052632.db2.gz DCHIJGMAHBBBPB-UHFFFAOYSA-N -1 3 179.166 1.099 10 0 ADAEHM Cc1[n-]n([C@H](C)C(C)C)c(=O)c1N 307461450 346054372 /nfs/dbraw/zinc/05/43/72/346054372.db2.gz HWDDJXXMNQMIRI-SSDOTTSWSA-N -1 3 183.255 1.696 10 0 ADAEHM Cc1[n-]n([C@@H](C)C(C)C)c(=O)c1N 307461452 346054413 /nfs/dbraw/zinc/05/44/13/346054413.db2.gz HWDDJXXMNQMIRI-ZETCQYMHSA-N -1 3 183.255 1.696 10 0 ADAEHM C[C@H]1CC[C@H]1n1c(CO)n[n-]c1=S 307470941 346059749 /nfs/dbraw/zinc/05/97/49/346059749.db2.gz WHKFOHFMJFLRFE-NTSWFWBYSA-N -1 3 199.279 1.030 10 0 ADAEHM C[C@@H]1CC[C@@H]1n1c(CO)n[n-]c1=S 307470944 346059828 /nfs/dbraw/zinc/05/98/28/346059828.db2.gz WHKFOHFMJFLRFE-RITPCOANSA-N -1 3 199.279 1.030 10 0 ADAEHM C[C@@H]1CC[C@H]1n1c(CO)n[n-]c1=S 307470942 346059903 /nfs/dbraw/zinc/05/99/03/346059903.db2.gz WHKFOHFMJFLRFE-PHDIDXHHSA-N -1 3 199.279 1.030 10 0 ADAEHM C[C@H]1CC[C@@H]1n1c(CO)n[n-]c1=S 307470945 346060105 /nfs/dbraw/zinc/06/01/05/346060105.db2.gz WHKFOHFMJFLRFE-WDSKDSINSA-N -1 3 199.279 1.030 10 0 ADAEHM Cc1oc(=S)[n-]c1[C@@H]1CCOC1 307476075 346063830 /nfs/dbraw/zinc/06/38/30/346063830.db2.gz KWTIRAZWUUHMMZ-ZCFIWIBFSA-N -1 3 185.248 1.776 10 0 ADAEHM Cc1oc(=S)[n-]c1[C@H]1CCOC1 307476066 346063835 /nfs/dbraw/zinc/06/38/35/346063835.db2.gz KWTIRAZWUUHMMZ-LURJTMIESA-N -1 3 185.248 1.776 10 0 ADAEHM CC[S@](=O)Nc1ccccc1[O-] 307481882 346066753 /nfs/dbraw/zinc/06/67/53/346066753.db2.gz LMCOKEOQWRHDOF-LBPRGKRZSA-N -1 3 185.248 1.488 10 0 ADAEHM CC[S@@](=O)Nc1ccccc1[O-] 307481877 346066769 /nfs/dbraw/zinc/06/67/69/346066769.db2.gz LMCOKEOQWRHDOF-GFCCVEGCSA-N -1 3 185.248 1.488 10 0 ADAEHM CCCN1CC/C(=C(\F)C(=O)[O-])C1 307490536 346071256 /nfs/dbraw/zinc/07/12/56/346071256.db2.gz HAUFOYKAPSYWRB-BQYQJAHWSA-N -1 3 187.214 1.410 10 0 ADAEHM O=c1[n-]cncc1-c1ccns1 307495985 346074944 /nfs/dbraw/zinc/07/49/44/346074944.db2.gz BTURCCSHCGNFAY-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM Cc1ccc(N)c2occ([O-])c12 307500095 346076715 /nfs/dbraw/zinc/07/67/15/346076715.db2.gz RPZQQEILATWXRX-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM C[C@@H]1CCCCN1c1nc([O-])cs1 307505355 346079375 /nfs/dbraw/zinc/07/93/75/346079375.db2.gz QJIALHZAQBRRCA-SSDOTTSWSA-N -1 3 198.291 1.490 10 0 ADAEHM C[C@H]1CCCCN1c1nc([O-])cs1 307505357 346079410 /nfs/dbraw/zinc/07/94/10/346079410.db2.gz QJIALHZAQBRRCA-ZETCQYMHSA-N -1 3 198.291 1.490 10 0 ADAEHM Nc1ccc(Cl)c(F)c1[O-] 307505460 346079445 /nfs/dbraw/zinc/07/94/45/346079445.db2.gz ZXAHTFWRRBOYMN-UHFFFAOYSA-N -1 3 161.563 1.767 10 0 ADAEHM O=c1ncc(F)c(C2=CCCC2)[n-]1 307505929 346080065 /nfs/dbraw/zinc/08/00/65/346080065.db2.gz QYSVKCSBXBRCHY-UHFFFAOYSA-N -1 3 180.182 1.889 10 0 ADAEHM CC[C@H]1CCCN1c1nc([O-])cs1 307508214 346081493 /nfs/dbraw/zinc/08/14/93/346081493.db2.gz RLVKHCGOPGYIDT-ZETCQYMHSA-N -1 3 198.291 1.490 10 0 ADAEHM CC[C@@H]1CCCN1c1nc([O-])cs1 307508209 346081531 /nfs/dbraw/zinc/08/15/31/346081531.db2.gz RLVKHCGOPGYIDT-SSDOTTSWSA-N -1 3 198.291 1.490 10 0 ADAEHM O=c1[n-]cncc1-c1cscn1 307515322 346085843 /nfs/dbraw/zinc/08/58/43/346085843.db2.gz RXYVATLSUVAPJR-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM CCn1[n-]c(C2CC2)cc1=N 307529063 346093795 /nfs/dbraw/zinc/09/37/95/346093795.db2.gz LCGFFKXAEANCBW-UHFFFAOYSA-N -1 3 151.213 1.193 10 0 ADAEHM Cc1cc(-c2cnc[n-]c2=O)sn1 307530033 346094392 /nfs/dbraw/zinc/09/43/92/346094392.db2.gz MSCNBJZBPQASHG-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM Nc1cc(=O)[n-]c(CC2CCC2)n1 307532573 346095920 /nfs/dbraw/zinc/09/59/20/346095920.db2.gz ZJCCZKHFMJOLFJ-UHFFFAOYSA-N -1 3 179.223 1.107 10 0 ADAEHM CCN1CC/C(=C(\F)C(=O)[O-])C1 307539932 346100497 /nfs/dbraw/zinc/10/04/97/346100497.db2.gz ZPICNNGSNQMYGQ-VOTSOKGWSA-N -1 3 173.187 1.020 10 0 ADAEHM [O-]c1cnc(Cl)c2ccccc12 307550659 346107263 /nfs/dbraw/zinc/10/72/63/346107263.db2.gz RMEJIUCHAITCBK-UHFFFAOYSA-N -1 3 179.606 1.868 10 0 ADAEHM Cc1c(-c2ccsn2)nc[n-]c1=O 307551060 346107345 /nfs/dbraw/zinc/10/73/45/346107345.db2.gz YNKQBUDTQKLLKL-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM CC1(c2nc(C=O)cc(=O)[n-]2)CC1 307551468 346107983 /nfs/dbraw/zinc/10/79/83/346107983.db2.gz ZCZJTENKWGMYQC-UHFFFAOYSA-N -1 3 178.191 1.046 10 0 ADAEHM Fc1[n-]ccc(=S)c1F 307555442 346110188 /nfs/dbraw/zinc/11/01/88/346110188.db2.gz IKMWMLBHSRMDNM-UHFFFAOYSA-N -1 3 147.149 1.649 10 0 ADAEHM Cc1nc(N[C@@H]2CC[C@@H]2C)cc(=O)[n-]1 307561760 346113847 /nfs/dbraw/zinc/11/38/47/346113847.db2.gz YYTACIVAKUIGRA-POYBYMJQSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1nc(N[C@@H]2CC[C@H]2C)cc(=O)[n-]1 307561757 346113903 /nfs/dbraw/zinc/11/39/03/346113903.db2.gz YYTACIVAKUIGRA-HTRCEHHLSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1nc(N[C@H]2CC[C@H]2C)cc(=O)[n-]1 307561763 346114035 /nfs/dbraw/zinc/11/40/35/346114035.db2.gz YYTACIVAKUIGRA-SVRRBLITSA-N -1 3 193.250 1.701 10 0 ADAEHM Cc1cocc1-c1cc(=O)[n-]cn1 307567774 346117990 /nfs/dbraw/zinc/11/79/90/346117990.db2.gz UPZFMWGXQBJKCY-UHFFFAOYSA-N -1 3 176.175 1.751 10 0 ADAEHM CSc1nc2ccncc2c(=O)[n-]1 307585426 346129792 /nfs/dbraw/zinc/12/97/92/346129792.db2.gz LPYKLKKCFASGOW-UHFFFAOYSA-N -1 3 193.231 1.452 10 0 ADAEHM CN(C)C(C)(C)c1nc(Cl)n[n-]1 307587251 346130964 /nfs/dbraw/zinc/13/09/64/346130964.db2.gz SJXSILHOOKGESW-UHFFFAOYSA-N -1 3 188.662 1.255 10 0 ADAEHM CC(=O)c1cnc(-c2nccs2)[n-]1 307594831 346135775 /nfs/dbraw/zinc/13/57/75/346135775.db2.gz KRSZUTJPHCHZDC-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM CC(=O)c1c[n-]c(-c2nccs2)n1 307594831 346135776 /nfs/dbraw/zinc/13/57/76/346135776.db2.gz KRSZUTJPHCHZDC-UHFFFAOYSA-N -1 3 193.231 1.736 10 0 ADAEHM C[C@@H]([N-]c1nnc(N)o1)C(F)(F)F 307607379 346143250 /nfs/dbraw/zinc/14/32/50/346143250.db2.gz FEJGLTMICHHPRD-UWTATZPHSA-N -1 3 196.132 1.015 10 0 ADAEHM C[C@H]([N-]c1nnc(N)o1)C(F)(F)F 307607378 346143704 /nfs/dbraw/zinc/14/37/04/346143704.db2.gz FEJGLTMICHHPRD-REOHCLBHSA-N -1 3 196.132 1.015 10 0 ADAEHM O=c1[n-]cncc1C1=CCCC1 307612016 346146652 /nfs/dbraw/zinc/14/66/52/346146652.db2.gz KDKZYQIUDLCZTP-UHFFFAOYSA-N -1 3 162.192 1.750 10 0 ADAEHM Cc1ccc(N)c2c([O-])coc12 307645911 346165185 /nfs/dbraw/zinc/16/51/85/346165185.db2.gz AJHBIQHIUPIWBP-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM Nc1cc(Br)c([O-])cn1 307646005 346165810 /nfs/dbraw/zinc/16/58/10/346165810.db2.gz AXVKHNAFZGOICK-UHFFFAOYSA-N -1 3 189.012 1.132 10 0 ADAEHM Cc1ccoc1[C@H](N)C(C)(C)C(=O)[O-] 307669659 346173927 /nfs/dbraw/zinc/17/39/27/346173927.db2.gz OALJYZZOQDCOIP-QMMMGPOBSA-N -1 3 197.234 1.699 10 0 ADAEHM Cc1ccoc1[C@@H](N)C(C)(C)C(=O)[O-] 307669658 346173971 /nfs/dbraw/zinc/17/39/71/346173971.db2.gz OALJYZZOQDCOIP-MRVPVSSYSA-N -1 3 197.234 1.699 10 0 ADAEHM Cc1cc([O-])ccc1C(=O)NCCF 307677019 346177393 /nfs/dbraw/zinc/17/73/93/346177393.db2.gz KRRLFMSEMKGTJL-UHFFFAOYSA-N -1 3 197.209 1.400 10 0 ADAEHM [O-]c1csc(N2CCC3(CC3)C2)n1 307676351 346177517 /nfs/dbraw/zinc/17/75/17/346177517.db2.gz HXIRJIRMLNQVMQ-UHFFFAOYSA-N -1 3 196.275 1.839 10 0 ADAEHM Cc1nsc(Sc2cn[n-]n2)n1 307687872 346183879 /nfs/dbraw/zinc/18/38/79/346183879.db2.gz LHNBUUGJFINJTG-UHFFFAOYSA-N -1 3 199.264 1.116 10 0 ADAEHM CCC(=O)Nc1cc([O-])cc(F)c1 307696568 346189310 /nfs/dbraw/zinc/18/93/10/346189310.db2.gz KLLWNHZDMUHGBW-UHFFFAOYSA-N -1 3 183.182 1.880 10 0 ADAEHM CC(F)(F)Cc1n[n-]c(=S)[nH]1 307706200 346194645 /nfs/dbraw/zinc/19/46/45/346194645.db2.gz XBXLXSRQBVEHCQ-UHFFFAOYSA-N -1 3 179.195 1.291 10 0 ADAEHM O=c1[n-]cncc1-c1ccsn1 307724303 346203994 /nfs/dbraw/zinc/20/39/94/346203994.db2.gz XVUSVEGWCNKOAJ-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM CNc1nc(=O)c2sccc2[n-]1 307733782 346209824 /nfs/dbraw/zinc/20/98/24/346209824.db2.gz NWBYYFQMUBPFNQ-UHFFFAOYSA-N -1 3 181.220 1.439 10 0 ADAEHM CONC(=O)Nc1ccccc1[O-] 307740197 346212783 /nfs/dbraw/zinc/21/27/83/346212783.db2.gz GZWKEJDFDCKDJN-UHFFFAOYSA-N -1 3 182.179 1.075 10 0 ADAEHM CCc1nc2c(=O)[n-]c(C)nc2o1 307744720 346215275 /nfs/dbraw/zinc/21/52/75/346215275.db2.gz PNLWSNXVQVSXTH-UHFFFAOYSA-N -1 3 179.179 1.194 10 0 ADAEHM CN(C)c1nc(=O)c2sccc2[n-]1 307751209 346220300 /nfs/dbraw/zinc/22/03/00/346220300.db2.gz NDOZNXNVRUNGGO-UHFFFAOYSA-N -1 3 195.247 1.463 10 0 ADAEHM CN1CCC(=C/C=C\C(=O)[O-])CC1 308125832 346257783 /nfs/dbraw/zinc/25/77/83/346257783.db2.gz ASDWDYGSYMNMET-RQOWECAXSA-N -1 3 181.235 1.279 10 0 ADAEHM CN1CCC/C(=C/C=C\C(=O)[O-])C1 308159562 346263678 /nfs/dbraw/zinc/26/36/78/346263678.db2.gz WUUQWOOAVSILKM-LYTUGPQCSA-N -1 3 181.235 1.279 10 0 ADAEHM COC(=O)/C=C\c1cc([O-])cc(F)c1 308402335 346298740 /nfs/dbraw/zinc/29/87/40/346298740.db2.gz XPQRSAQMEVGOHW-IHWYPQMZSA-N -1 3 196.177 1.718 10 0 ADAEHM CC1CN(C(=O)c2cccc([O-])c2)C1 334260516 346336018 /nfs/dbraw/zinc/33/60/18/346336018.db2.gz WLHFJZOYRATTFJ-UHFFFAOYSA-N -1 3 191.230 1.484 10 0 ADAEHM Cc1ccc([O-])c(CN(C)C2CC2)n1 334402863 346345603 /nfs/dbraw/zinc/34/56/03/346345603.db2.gz OOEMLQJZRJNJSL-UHFFFAOYSA-N -1 3 192.262 1.690 10 0 ADAEHM Cc1ccc([O-])c(CN2CC(C)C2)n1 336039159 346435174 /nfs/dbraw/zinc/43/51/74/346435174.db2.gz CAXOTFXVADQSAI-UHFFFAOYSA-N -1 3 192.262 1.547 10 0 ADAEHM Cc1ccc([O-])c(CN2CC(F)C2)n1 336447336 346463481 /nfs/dbraw/zinc/46/34/81/346463481.db2.gz IDASJSFFLYLAAI-UHFFFAOYSA-N -1 3 196.225 1.249 10 0 ADAEHM O=C([O-])/C=C\CN1CC2(CCC2)C1 379343206 346503538 /nfs/dbraw/zinc/50/35/38/346503538.db2.gz JNDHINVPASTOPK-IWQZZHSRSA-N -1 3 181.235 1.113 10 0 ADAEHM C[C@H]1CN(C)CC/C1=C(/F)C(=O)[O-] 383027527 346536579 /nfs/dbraw/zinc/53/65/79/346536579.db2.gz KDBVLLRNOZOTNW-WXIAHEHCSA-N -1 3 187.214 1.266 10 0 ADAEHM C/C(C(=O)[O-])=C1/CCN(C)C[C@@H]1C 383025438 346536717 /nfs/dbraw/zinc/53/67/17/346536717.db2.gz JBNAKJNFBPDZMQ-MXMZYCHESA-N -1 3 183.251 1.359 10 0 ADAEHM C/C(C(=O)[O-])=C1/CCN(C)C[C@H]1C 383025435 346536921 /nfs/dbraw/zinc/53/69/21/346536921.db2.gz JBNAKJNFBPDZMQ-BDGYDECCSA-N -1 3 183.251 1.359 10 0 ADAEHM C/C=C/CNCc1nc(C)ccc1[O-] 384939603 346541467 /nfs/dbraw/zinc/54/14/67/346541467.db2.gz DUOPINYUSOZNQR-ONEGZZNKSA-N -1 3 192.262 1.761 10 0 ADAEHM C/C=C\CNCc1nc(C)ccc1[O-] 384939592 346541647 /nfs/dbraw/zinc/54/16/47/346541647.db2.gz DUOPINYUSOZNQR-ARJAWSKDSA-N -1 3 192.262 1.761 10 0 ADAEHM C/C=C\CNC(=O)c1cccc([O-])c1 384932653 346541827 /nfs/dbraw/zinc/54/18/27/346541827.db2.gz DCXWFTNGTKOVOL-IHWYPQMZSA-N -1 3 191.230 1.698 10 0 ADAEHM O=C([O-])/C=C/C=C1\CCN(C2CC2)C1 393681625 346580750 /nfs/dbraw/zinc/58/07/50/346580750.db2.gz FWBRVTLEYUMBOQ-CDAHLJEYSA-N -1 3 193.246 1.422 10 0 ADAEHM O=c1ccnc(C2CCSCC2)[n-]1 402086914 346626980 /nfs/dbraw/zinc/62/69/80/346626980.db2.gz YNVIYCLWKCPZLR-UHFFFAOYSA-N -1 3 196.275 1.793 10 0 ADAEHM Cc1nocc1-c1nc(=S)n(C)[n-]1 402520195 346630290 /nfs/dbraw/zinc/63/02/90/346630290.db2.gz ZLUKICGYOVVSCC-UHFFFAOYSA-N -1 3 196.235 1.441 10 0 ADAEHM Cc1nocc1-c1n[nH]c(=S)[n-]1 402499803 346630529 /nfs/dbraw/zinc/63/05/29/346630529.db2.gz HVMYBWUNKXVAJD-UHFFFAOYSA-N -1 3 182.208 1.057 10 0 ADAEHM C1C[C@@H]2C[C@@H]2C[C@@H]1Cc1nnn[n-]1 403318158 346634786 /nfs/dbraw/zinc/63/47/86/346634786.db2.gz AOVIBUCGLRPUPK-PRJMDXOYSA-N -1 3 178.239 1.178 10 0 ADAEHM C1C[C@@H]2C[C@@H]2C[C@@H]1Cc1nn[n-]n1 403318158 346634789 /nfs/dbraw/zinc/63/47/89/346634789.db2.gz AOVIBUCGLRPUPK-PRJMDXOYSA-N -1 3 178.239 1.178 10 0 ADAEHM S=c1[n-]c([C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 403347143 346635694 /nfs/dbraw/zinc/63/56/94/346635694.db2.gz VMSJJYZPHDWBRC-XVMARJQXSA-N -1 3 195.291 1.997 10 0 ADAEHM S=c1[n-]c([C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 403347136 346635873 /nfs/dbraw/zinc/63/58/73/346635873.db2.gz VMSJJYZPHDWBRC-FSDSQADBSA-N -1 3 195.291 1.997 10 0 ADAEHM O=c1[n-]nc([C@@H]2CC[C@@H]3C[C@@H]3C2)o1 403526234 346636840 /nfs/dbraw/zinc/63/68/40/346636840.db2.gz MRJUWAFYFVLLOX-FSDSQADBSA-N -1 3 180.207 1.679 10 0 ADAEHM O=c1[n-]nc([C@@H]2CC[C@H]3C[C@H]3C2)o1 403526239 346637070 /nfs/dbraw/zinc/63/70/70/346637070.db2.gz MRJUWAFYFVLLOX-XVMARJQXSA-N -1 3 180.207 1.679 10 0 ADAEHM [O-]c1ccc([C@@H]2NCCS2)c(F)c1 404144704 346640001 /nfs/dbraw/zinc/64/00/01/346640001.db2.gz NUTOCSMTJISHLP-SECBINFHSA-N -1 3 199.250 1.866 10 0 ADAEHM [O-]c1ccc([C@H](O)C(F)F)c(F)c1 404277008 346640481 /nfs/dbraw/zinc/64/04/81/346640481.db2.gz SLBVFHHPGXQOBB-ZETCQYMHSA-N -1 3 192.136 1.830 10 0 ADAEHM C[C@@H](O)/C=C/c1ccc([O-])cc1F 404249535 346640579 /nfs/dbraw/zinc/64/05/79/346640579.db2.gz IIWSAIBBZHILJT-TYWZFMJISA-N -1 3 182.194 1.925 10 0 ADAEHM C/C(=C/c1ccc([O-])cc1F)CO 404278442 346640602 /nfs/dbraw/zinc/64/06/02/346640602.db2.gz TYDANIYCFGOXHM-DAXSKMNVSA-N -1 3 182.194 1.927 10 0 ADAEHM [O-]c1ccc(/C=C/CO)c(F)c1 404252119 346640660 /nfs/dbraw/zinc/64/06/60/346640660.db2.gz JYVTZMVMIWALIH-OWOJBTEDSA-N -1 3 168.167 1.537 10 0 ADAEHM [O-]c1ccc([C@@H](O)C(F)F)c(F)c1 404277002 346640674 /nfs/dbraw/zinc/64/06/74/346640674.db2.gz SLBVFHHPGXQOBB-SSDOTTSWSA-N -1 3 192.136 1.830 10 0 ADAEHM C[C@H](O)/C=C/c1ccc([O-])cc1F 404249532 346640749 /nfs/dbraw/zinc/64/07/49/346640749.db2.gz IIWSAIBBZHILJT-AIYRYJHASA-N -1 3 182.194 1.925 10 0 ADAEHM O=C1C=C([O-])CC(c2ccns2)C1 404474323 346644771 /nfs/dbraw/zinc/64/47/71/346644771.db2.gz PCJFMRGRHKPBNF-UHFFFAOYSA-N -1 3 195.243 1.549 10 0 ADAEHM O=c1[n-]cncc1-c1cnsc1 404600685 346646848 /nfs/dbraw/zinc/64/68/48/346646848.db2.gz WTAPNTCMRBOAEA-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM S=c1ccc(-c2cnsc2)n[n-]1 404601181 346646941 /nfs/dbraw/zinc/64/69/41/346646941.db2.gz XEDPSMNRTWHUQU-UHFFFAOYSA-N -1 3 195.272 1.889 10 0 ADAEHM S=c1cc(-c2cnsc2)cn[n-]1 404587793 346646950 /nfs/dbraw/zinc/64/69/50/346646950.db2.gz GGMTUWOCIUBZNN-UHFFFAOYSA-N -1 3 195.272 1.889 10 0 ADAEHM O=c1nc(-c2cnsc2)c(F)c[n-]1 404600961 346646965 /nfs/dbraw/zinc/64/69/65/346646965.db2.gz WWOQWCYNFHZMAL-UHFFFAOYSA-N -1 3 197.194 1.445 10 0 ADAEHM O=c1cc(-c2cnsc2)nc[n-]1 404587766 346646971 /nfs/dbraw/zinc/64/69/71/346646971.db2.gz GEEBKWNITZBUIG-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM Cc1nc(-c2cnsc2)cc(=O)[n-]1 404599193 346647013 /nfs/dbraw/zinc/64/70/13/346647013.db2.gz VBFPRVQUVHTSJT-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM Cc1c(-c2cnsc2)nc[n-]c1=O 404597940 346647082 /nfs/dbraw/zinc/64/70/82/346647082.db2.gz STZYLVUXJKHUOK-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM [O-]c1cccnc1-c1cnsc1 404707366 346649732 /nfs/dbraw/zinc/64/97/32/346649732.db2.gz BKIUMFPUXDKSBG-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM [O-]c1cncc(-c2cnsc2)c1 404720438 346649755 /nfs/dbraw/zinc/64/97/55/346649755.db2.gz JTOUHEVALLLEGM-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2CCSC2)n1 405086138 346657009 /nfs/dbraw/zinc/65/70/09/346657009.db2.gz NRBFGCNUVHONMK-ZETCQYMHSA-N -1 3 196.275 1.711 10 0 ADAEHM O=c1ccnc([C@H]2CCSC2)[n-]1 405099021 346657538 /nfs/dbraw/zinc/65/75/38/346657538.db2.gz VBYIISGVDUSEAK-LURJTMIESA-N -1 3 182.248 1.403 10 0 ADAEHM O=c1ccnc([C@@H]2CCSC2)[n-]1 405099022 346657734 /nfs/dbraw/zinc/65/77/34/346657734.db2.gz VBYIISGVDUSEAK-ZCFIWIBFSA-N -1 3 182.248 1.403 10 0 ADAEHM CCc1cc(=O)[n-]c(C2CSC2)n1 405131983 346658147 /nfs/dbraw/zinc/65/81/47/346658147.db2.gz FHMMFGKGXAPOAP-UHFFFAOYSA-N -1 3 196.275 1.575 10 0 ADAEHM Cc1nc(C2CSC2)[n-]c(=O)c1C 405127870 346658165 /nfs/dbraw/zinc/65/81/65/346658165.db2.gz BQWKGPHNZNNPMZ-UHFFFAOYSA-N -1 3 196.275 1.629 10 0 ADAEHM Cc1cc(=O)[n-]c(C2CSC2)n1 405176340 346658675 /nfs/dbraw/zinc/65/86/75/346658675.db2.gz SFBIWLAOMOQCSM-UHFFFAOYSA-N -1 3 182.248 1.321 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)[C@@H](C)OC2 405781212 346674017 /nfs/dbraw/zinc/67/40/17/346674017.db2.gz DCCUDLZUKNXTHY-RXMQYKEDSA-N -1 3 180.207 1.336 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)[C@H](C)OC2 405781214 346674035 /nfs/dbraw/zinc/67/40/35/346674035.db2.gz DCCUDLZUKNXTHY-YFKPBYRVSA-N -1 3 180.207 1.336 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)[C@@H](C)OC2 405822843 346675649 /nfs/dbraw/zinc/67/56/49/346675649.db2.gz KUSLDUZTTIITGT-SCSAIBSYSA-N -1 3 166.180 1.082 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)[C@H](C)OC2 405822838 346675672 /nfs/dbraw/zinc/67/56/72/346675672.db2.gz KUSLDUZTTIITGT-BYPYZUCNSA-N -1 3 166.180 1.082 10 0 ADAEHM COc1c([O-])cnc(F)c1Cl 498036341 346708853 /nfs/dbraw/zinc/70/88/53/346708853.db2.gz BBIXMWZLGFCJEQ-UHFFFAOYSA-N -1 3 177.562 1.588 10 0 ADAEHM COC(=O)c1ccc(C(C)=N)c([O-])c1 584606616 346722787 /nfs/dbraw/zinc/72/27/87/346722787.db2.gz MNEFIMWHPCYKPF-UHFFFAOYSA-N -1 3 193.202 1.567 10 0 ADAEHM CC(=O)[N-]Oc1cc(F)cc(F)c1 584608352 346724663 /nfs/dbraw/zinc/72/46/63/346724663.db2.gz HVYWAMAJQAQZAA-UHFFFAOYSA-N -1 3 187.145 1.395 10 0 ADAEHM O=C(N[O-])OC/C=C/c1ccccc1 584609791 346725805 /nfs/dbraw/zinc/72/58/05/346725805.db2.gz VEWGAMWMLDCXFK-QPJJXVBHSA-N -1 3 193.202 1.815 10 0 ADAEHM O=C(N[O-])OC/C=C\c1ccccc1 584611256 346728037 /nfs/dbraw/zinc/72/80/37/346728037.db2.gz VEWGAMWMLDCXFK-DAXSKMNVSA-N -1 3 193.202 1.815 10 0 ADAEHM O=C1NCCN1c1ccc([O-])cc1F 584612997 346728553 /nfs/dbraw/zinc/72/85/53/346728553.db2.gz GVMVZXYGUADINU-UHFFFAOYSA-N -1 3 196.181 1.061 10 0 ADAEHM O=C1NCCN1c1ccc([O-])c(F)c1 584613423 346728779 /nfs/dbraw/zinc/72/87/79/346728779.db2.gz DJBJDQNFJPLBMV-UHFFFAOYSA-N -1 3 196.181 1.061 10 0 ADAEHM O=C1C=C([O-])[C@@H](Cc2ccccc2)C1 584635504 346737424 /nfs/dbraw/zinc/73/74/24/346737424.db2.gz PLLVZIZWIIADCI-JTQLQIEISA-N -1 3 188.226 1.777 10 0 ADAEHM O=C1C=C([O-])[C@H](Cc2ccccc2)C1 584635505 346737607 /nfs/dbraw/zinc/73/76/07/346737607.db2.gz PLLVZIZWIIADCI-SNVBAGLBSA-N -1 3 188.226 1.777 10 0 ADAEHM CC(C)(C)c1nc2[nH]cnc2c(=O)[n-]1 584645922 346740507 /nfs/dbraw/zinc/74/05/07/346740507.db2.gz GRHZYDRTWCCXOV-UHFFFAOYSA-N -1 3 192.222 1.356 10 0 ADAEHM CC(=O)N[C@H](C)c1ccc([O-])cc1F 584647215 346741355 /nfs/dbraw/zinc/74/13/55/346741355.db2.gz LYCIVKRWPKVGQP-ZCFIWIBFSA-N -1 3 197.209 1.728 10 0 ADAEHM CC(=O)N[C@@H](C)c1ccc([O-])cc1F 584647212 346741401 /nfs/dbraw/zinc/74/14/01/346741401.db2.gz LYCIVKRWPKVGQP-LURJTMIESA-N -1 3 197.209 1.728 10 0 ADAEHM O=NN([O-])c1c[nH]c2ccccc12 584647748 346741480 /nfs/dbraw/zinc/74/14/80/346741480.db2.gz WDPYHOKCCXCMJL-UHFFFAOYSA-N -1 3 178.171 1.472 10 0 ADAEHM CSC(=S)[N-]N1CCCCC1 584650484 346742472 /nfs/dbraw/zinc/74/24/72/346742472.db2.gz OINPRQKEHWLDTN-UHFFFAOYSA-N -1 3 190.337 1.625 10 0 ADAEHM O=c1[n-]c([C@@H](O)c2ccccc2)co1 584652127 346742926 /nfs/dbraw/zinc/74/29/26/346742926.db2.gz CAEVGRFMNXVEOE-VIFPVBQESA-N -1 3 191.186 1.311 10 0 ADAEHM Nc1ccc2oc(C(=O)[O-])c(N)c2c1 584881900 346749087 /nfs/dbraw/zinc/74/90/87/346749087.db2.gz SMZNLEBNSAVGOB-UHFFFAOYSA-N -1 3 192.174 1.295 10 0 ADAEHM Nc1ccc2c(N)c(C(=O)[O-])oc2c1 584881558 346749108 /nfs/dbraw/zinc/74/91/08/346749108.db2.gz LMJMFUZFMIQQSD-UHFFFAOYSA-N -1 3 192.174 1.295 10 0 ADAEHM CCOC(=O)c1[n-]cnc1C(F)F 584883004 346750486 /nfs/dbraw/zinc/75/04/86/346750486.db2.gz DMPGYHKQZISTQG-UHFFFAOYSA-N -1 3 190.149 1.524 10 0 ADAEHM C1CC(SCCc2nnn[n-]2)C1 603341441 346954856 /nfs/dbraw/zinc/95/48/56/346954856.db2.gz ZURDSZDYZXNSPL-UHFFFAOYSA-N -1 3 184.268 1.028 10 0 ADAEHM C1CC(SCCc2nn[n-]n2)C1 603341441 346954860 /nfs/dbraw/zinc/95/48/60/346954860.db2.gz ZURDSZDYZXNSPL-UHFFFAOYSA-N -1 3 184.268 1.028 10 0 ADAEHM C[C@@H]1CC[C@@H]1c1cc(=O)[n-]cn1 606302381 346977527 /nfs/dbraw/zinc/97/75/27/346977527.db2.gz DCRQJVVGPUNVSM-RQJHMYQMSA-N -1 3 164.208 1.696 10 0 ADAEHM C[C@H]1CC[C@H]1c1cc(=O)[n-]cn1 606302379 346977675 /nfs/dbraw/zinc/97/76/75/346977675.db2.gz DCRQJVVGPUNVSM-NKWVEPMBSA-N -1 3 164.208 1.696 10 0 ADAEHM C[C@@H]1CC[C@H]1c1cc(=O)[n-]cn1 606302380 346977704 /nfs/dbraw/zinc/97/77/04/346977704.db2.gz DCRQJVVGPUNVSM-RNFRBKRXSA-N -1 3 164.208 1.696 10 0 ADAEHM C[C@H]1CC[C@@H]1c1cc(=O)[n-]cn1 606302377 346977728 /nfs/dbraw/zinc/97/77/28/346977728.db2.gz DCRQJVVGPUNVSM-BQBZGAKWSA-N -1 3 164.208 1.696 10 0 ADAEHM CC1CC(c2cc(=O)[n-]cn2)C1 606303551 346979367 /nfs/dbraw/zinc/97/93/67/346979367.db2.gz RJYXKTVJADDCQH-UHFFFAOYSA-N -1 3 164.208 1.696 10 0 ADAEHM CC[C@@H](C)NCc1ocnc1C(=O)[O-] 616568153 347095836 /nfs/dbraw/zinc/09/58/36/347095836.db2.gz FDFVRDCYMCWTFE-ZCFIWIBFSA-N -1 3 198.222 1.261 10 0 ADAEHM CC[C@H](C)NCc1ocnc1C(=O)[O-] 616568152 347095862 /nfs/dbraw/zinc/09/58/62/347095862.db2.gz FDFVRDCYMCWTFE-LURJTMIESA-N -1 3 198.222 1.261 10 0 ADAEHM CCN(CC)Cc1ocnc1C(=O)[O-] 616569516 347097234 /nfs/dbraw/zinc/09/72/34/347097234.db2.gz VMGJREGBIGABCG-UHFFFAOYSA-N -1 3 198.222 1.215 10 0 ADAEHM Cn1c(C(F)(F)F)cc([O-])cc1=O 616576748 347103327 /nfs/dbraw/zinc/10/33/27/347103327.db2.gz OECIGDYNEWESSZ-UHFFFAOYSA-N -1 3 193.124 1.110 10 0 ADAEHM CC(C)(C)N1CCC[C@H]1c1nn[n-]n1 616607482 347112885 /nfs/dbraw/zinc/11/28/85/347112885.db2.gz JAWUFTRABBIALN-ZETCQYMHSA-N -1 3 195.270 1.135 10 0 ADAEHM CC(C)(C)N1CCC[C@H]1c1nnn[n-]1 616607482 347112886 /nfs/dbraw/zinc/11/28/86/347112886.db2.gz JAWUFTRABBIALN-ZETCQYMHSA-N -1 3 195.270 1.135 10 0 ADAEHM CC(C)(C)N1CCC[C@@H]1c1nn[n-]n1 616607468 347113193 /nfs/dbraw/zinc/11/31/93/347113193.db2.gz JAWUFTRABBIALN-SSDOTTSWSA-N -1 3 195.270 1.135 10 0 ADAEHM CC(C)(C)N1CCC[C@@H]1c1nnn[n-]1 616607468 347113196 /nfs/dbraw/zinc/11/31/96/347113196.db2.gz JAWUFTRABBIALN-SSDOTTSWSA-N -1 3 195.270 1.135 10 0 ADAEHM CCN1CCCCC[C@H]1c1nn[n-]n1 616621898 347127587 /nfs/dbraw/zinc/12/75/87/347127587.db2.gz QTQRSHIQYQBBHB-QMMMGPOBSA-N -1 3 195.270 1.137 10 0 ADAEHM CCN1CCCCC[C@H]1c1nnn[n-]1 616621898 347127589 /nfs/dbraw/zinc/12/75/89/347127589.db2.gz QTQRSHIQYQBBHB-QMMMGPOBSA-N -1 3 195.270 1.137 10 0 ADAEHM CCN1CCCCC[C@@H]1c1nn[n-]n1 616623677 347129067 /nfs/dbraw/zinc/12/90/67/347129067.db2.gz QTQRSHIQYQBBHB-MRVPVSSYSA-N -1 3 195.270 1.137 10 0 ADAEHM CCN1CCCCC[C@@H]1c1nnn[n-]1 616623677 347129070 /nfs/dbraw/zinc/12/90/70/347129070.db2.gz QTQRSHIQYQBBHB-MRVPVSSYSA-N -1 3 195.270 1.137 10 0 ADAEHM Cc1ccc(C(=O)[N-]c2cnoc2)o1 623943118 347267750 /nfs/dbraw/zinc/26/77/50/347267750.db2.gz GNZKYNQIYLCWBV-UHFFFAOYSA-N -1 3 192.174 1.828 10 0 ADAEHM Cc1ccoc1C(=O)[N-]c1cnoc1 623941728 347267891 /nfs/dbraw/zinc/26/78/91/347267891.db2.gz DKXQBPKWBJUXMH-UHFFFAOYSA-N -1 3 192.174 1.828 10 0 ADAEHM CC=CCNC(=O)c1csc(=O)[n-]1 629036618 347329971 /nfs/dbraw/zinc/32/99/71/347329971.db2.gz WOMCTYIQHKARIB-IHWYPQMZSA-N -1 3 198.247 1.155 10 0 ADAEHM CCn1[n-]c2c(c1=O)[C@H](C)CC2 634584482 347415576 /nfs/dbraw/zinc/41/55/76/347415576.db2.gz CYBBRKVCHAXQBA-HTRCEHHLSA-N -1 3 166.224 1.251 10 0 ADAEHM CCn1[n-]c2c(c1=O)[C@@H](C)CC2 634584483 347415612 /nfs/dbraw/zinc/41/56/12/347415612.db2.gz CYBBRKVCHAXQBA-POYBYMJQSA-N -1 3 166.224 1.251 10 0 ADAEHM CCn1[n-]c2c(c1=O)[C@@H](C)CC2 634584485 347415629 /nfs/dbraw/zinc/41/56/29/347415629.db2.gz CYBBRKVCHAXQBA-XPUUQOCRSA-N -1 3 166.224 1.251 10 0 ADAEHM CCn1[n-]c2c(c1=O)[C@H](C)CC2 634584484 347415861 /nfs/dbraw/zinc/41/58/61/347415861.db2.gz CYBBRKVCHAXQBA-SVRRBLITSA-N -1 3 166.224 1.251 10 0 ADAEHM Cc1[n-]n(C(C)C)c(=O)c1C1CC1 634595522 347418817 /nfs/dbraw/zinc/41/88/17/347418817.db2.gz DZYNFRYSCFIFDI-VIFPVBQESA-N -1 3 180.251 1.639 10 0 ADAEHM Cc1[n-]n(C(C)C)c(=O)c1C1CC1 634595521 347418991 /nfs/dbraw/zinc/41/89/91/347418991.db2.gz DZYNFRYSCFIFDI-SECBINFHSA-N -1 3 180.251 1.639 10 0 ADAEHM C[C@H]1CCc2[n-]n(C3CC3)c(=O)c21 634618135 347421815 /nfs/dbraw/zinc/42/18/15/347421815.db2.gz HPVUMKWFVZJXRF-RCOVLWMOSA-N -1 3 178.235 1.393 10 0 ADAEHM C[C@@H]1CCc2[n-]n(C3CC3)c(=O)c21 634618134 347422078 /nfs/dbraw/zinc/42/20/78/347422078.db2.gz HPVUMKWFVZJXRF-MUWHJKNJSA-N -1 3 178.235 1.393 10 0 ADAEHM C[C@H]1CCc2[n-]n(C3CC3)c(=O)c21 634618133 347422119 /nfs/dbraw/zinc/42/21/19/347422119.db2.gz HPVUMKWFVZJXRF-IMTBSYHQSA-N -1 3 178.235 1.393 10 0 ADAEHM CCOc1nc2ccccc2c(=O)[n-]1 40049 351268174 /nfs/dbraw/zinc/26/81/74/351268174.db2.gz IZTVDIPTVRRDIE-UHFFFAOYSA-N -1 3 190.202 1.322 10 0 ADAEHM CC[C@@H](C)n1c(=O)[n-][nH]c1=S 166623 351273201 /nfs/dbraw/zinc/27/32/01/351273201.db2.gz MDZQFAWYOWYIRZ-SCSAIBSYSA-N -1 3 173.241 1.205 10 0 ADAEHM CCSc1nnc(C(F)(F)F)[n-]1 1047355 351284075 /nfs/dbraw/zinc/28/40/75/351284075.db2.gz HNMPXSDZPKKGSS-UHFFFAOYSA-N -1 3 197.185 1.936 10 0 in-vitro ADAEHM CCSc1nc(C(F)(F)F)n[n-]1 1047355 351284077 /nfs/dbraw/zinc/28/40/77/351284077.db2.gz HNMPXSDZPKKGSS-UHFFFAOYSA-N -1 3 197.185 1.936 10 0 in-vitro ADAEHM CCSc1n[n-]c(C(F)(F)F)n1 1047355 351284079 /nfs/dbraw/zinc/28/40/79/351284079.db2.gz HNMPXSDZPKKGSS-UHFFFAOYSA-N -1 3 197.185 1.936 10 0 in-vitro ADAEHM O=c1ccnc(N2CCCCCC2)[n-]1 1281323 351284521 /nfs/dbraw/zinc/28/45/21/351284521.db2.gz WJKXFJPBWJPKBS-UHFFFAOYSA-N -1 3 193.250 1.150 10 0 ADAEHM CCOc1n[n-]c(-c2cccs2)n1 4239768 351326059 /nfs/dbraw/zinc/32/60/59/351326059.db2.gz ODDJCFCZCHLSTD-UHFFFAOYSA-N -1 3 195.247 1.932 10 0 ADAEHM CCO[C@H]1OCc2cnc(C)c([O-])c21 5139844 351339526 /nfs/dbraw/zinc/33/95/26/351339526.db2.gz XLKAWBFBIIYKMX-JTQLQIEISA-N -1 3 195.218 1.661 10 0 ADAEHM O=c1cc(Oc2ccccc2)nc[n-]1 6666144 351354248 /nfs/dbraw/zinc/35/42/48/351354248.db2.gz KSVPUCCLIWWWTB-UHFFFAOYSA-N -1 3 188.186 1.562 10 0 ADAEHM CC(=O)c1cnc(Cl)[n-]1 12647654 351366082 /nfs/dbraw/zinc/36/60/82/351366082.db2.gz QJSJFRUXSDFTIC-UHFFFAOYSA-N -1 3 144.561 1.266 10 0 ADAEHM CC(=O)c1c[n-]c(Cl)n1 12647654 351366085 /nfs/dbraw/zinc/36/60/85/351366085.db2.gz QJSJFRUXSDFTIC-UHFFFAOYSA-N -1 3 144.561 1.266 10 0 ADAEHM C[C@H]1CC(=O)c2c([O-])cccc2O1 13461576 351368433 /nfs/dbraw/zinc/36/84/33/351368433.db2.gz WHEIRCBYUYIIMR-LURJTMIESA-N -1 3 178.187 1.746 10 0 biogenic ADAEHM C[C@@H]1CC(=O)c2c([O-])cccc2O1 13461574 351368802 /nfs/dbraw/zinc/36/88/02/351368802.db2.gz WHEIRCBYUYIIMR-ZCFIWIBFSA-N -1 3 178.187 1.746 10 0 biogenic ADAEHM S=c1[n-]cnc2n[nH]cc12 13518512 351369619 /nfs/dbraw/zinc/36/96/19/351369619.db2.gz WNNLHYRSLRVWTQ-UHFFFAOYSA-N -1 3 152.182 1.736 10 0 ADAEHM O=c1cc2[nH][n-]c(O)c-2c(Cl)c1 14984242 351377065 /nfs/dbraw/zinc/37/70/65/351377065.db2.gz FSEJAGVNHYEKHK-UHFFFAOYSA-N -1 3 184.582 1.628 10 0 ADAEHM CCOC(=O)c1ccc([O-])cc1OC 15446165 351378668 /nfs/dbraw/zinc/37/86/68/351378668.db2.gz KFUFFKUEDRKQTR-UHFFFAOYSA-N -1 3 196.202 1.578 10 0 ADAEHM S=c1[n-]c2n[nH]cc2c(=S)[nH]1 18177322 351384681 /nfs/dbraw/zinc/38/46/81/351384681.db2.gz AXTGUDOELRNMOD-UHFFFAOYSA-N -1 3 184.249 1.304 10 0 ADAEHM [O-]c1ccc(-c2ncon2)cc1 20082935 351399736 /nfs/dbraw/zinc/39/97/36/351399736.db2.gz LXNCRCJDXBZXER-UHFFFAOYSA-N -1 3 162.148 1.442 10 0 ADAEHM O=Cc1c([O-])ccc(O)c1Cl 29123369 351422557 /nfs/dbraw/zinc/42/25/57/351422557.db2.gz SHBMEDRRMJULPU-UHFFFAOYSA-N -1 3 172.567 1.564 10 0 ADAEHM O=Cc1c(O)ccc([O-])c1Cl 29123369 351422556 /nfs/dbraw/zinc/42/25/56/351422556.db2.gz SHBMEDRRMJULPU-UHFFFAOYSA-N -1 3 172.567 1.564 10 0 ADAEHM O=c1[n-]cncc1-c1ccsc1 33824140 351432339 /nfs/dbraw/zinc/43/23/39/351432339.db2.gz VOBUFKDDWPSVEN-UHFFFAOYSA-N -1 3 178.216 1.498 10 0 ADAEHM O=Cc1cc2c(cc1[O-])CCCO2 34089385 351435065 /nfs/dbraw/zinc/43/50/65/351435065.db2.gz NUZWMRNNUMXLMS-UHFFFAOYSA-N -1 3 178.187 1.530 10 0 ADAEHM [O-]c1cccnc1-c1cccnc1 36438060 351456756 /nfs/dbraw/zinc/45/67/56/351456756.db2.gz CBPKLXOYVVXBRT-UHFFFAOYSA-N -1 3 172.187 1.849 10 0 ADAEHM O=c1ccnc(Cc2ccccc2)[n-]1 36882076 351459943 /nfs/dbraw/zinc/45/99/43/351459943.db2.gz DGKZRBYZZOWQFM-UHFFFAOYSA-N -1 3 186.214 1.361 10 0 ADAEHM [O-]c1ccccc1Oc1ncccn1 37674561 351470624 /nfs/dbraw/zinc/47/06/24/351470624.db2.gz JYAQDVKEZQZRNB-UHFFFAOYSA-N -1 3 188.186 1.975 10 0 ADAEHM O=c1[nH]c2ccccc2c2nc[n-]c12 38672089 351482969 /nfs/dbraw/zinc/48/29/69/351482969.db2.gz HYBYFIROJDRLAR-UHFFFAOYSA-N -1 3 185.186 1.404 10 0 ADAEHM O=c1[nH]c2ccccc2c2[n-]cnc12 38672089 351482970 /nfs/dbraw/zinc/48/29/70/351482970.db2.gz HYBYFIROJDRLAR-UHFFFAOYSA-N -1 3 185.186 1.404 10 0 ADAEHM O=c1[n-]cnc2c1Cc1ccccc1-2 39038861 351484945 /nfs/dbraw/zinc/48/49/45/351484945.db2.gz MZXWRSBOVARRRS-UHFFFAOYSA-N -1 3 184.198 1.341 10 0 ADAEHM [O-]c1cnc(CC2CC2)nc1 39052865 351486147 /nfs/dbraw/zinc/48/61/47/351486147.db2.gz VZUNCACQBGQRMR-UHFFFAOYSA-N -1 3 150.181 1.135 10 0 ADAEHM O=Nc1cccc(CO)c1[O-] 39062392 351486751 /nfs/dbraw/zinc/48/67/51/351486751.db2.gz YPKCRIONIOAEMZ-UHFFFAOYSA-N -1 3 153.137 1.282 10 0 ADAEHM [O-]c1cc(O)cc2cocc12 39059166 351486806 /nfs/dbraw/zinc/48/68/06/351486806.db2.gz VFJHDXXCGLXOCO-UHFFFAOYSA-N -1 3 150.133 1.844 10 0 ADAEHM C[C@@H](O)c1cccc(F)c1[O-] 39059734 351487199 /nfs/dbraw/zinc/48/71/99/351487199.db2.gz UUEPKPLTSBUURA-RXMQYKEDSA-N -1 3 156.156 1.585 10 0 ADAEHM O=Nc1ccc([O-])cc1CO 39067764 351487738 /nfs/dbraw/zinc/48/77/38/351487738.db2.gz GGOLBXYMRAWBID-UHFFFAOYSA-N -1 3 153.137 1.282 10 0 ADAEHM CCO[C@@H]1[N-]c2ccccc2O1 39089556 351490289 /nfs/dbraw/zinc/49/02/89/351490289.db2.gz YJACKRBKHHUABV-VIFPVBQESA-N -1 3 165.192 1.811 10 0 ADAEHM CCO[C@H]1[N-]c2ccccc2O1 39089557 351490326 /nfs/dbraw/zinc/49/03/26/351490326.db2.gz YJACKRBKHHUABV-SECBINFHSA-N -1 3 165.192 1.811 10 0 ADAEHM C[C@@H](O)c1ccc([O-])cc1F 39088687 351490689 /nfs/dbraw/zinc/49/06/89/351490689.db2.gz QCTBLRREIFDKIJ-RXMQYKEDSA-N -1 3 156.156 1.585 10 0 ADAEHM c1cc2c3[n-]c(cnc1-3)C2 39094930 351491478 /nfs/dbraw/zinc/49/14/78/351491478.db2.gz HJNSLOATMNQUGH-UHFFFAOYSA-N -1 3 130.150 1.419 10 0 ADAEHM CCOc1cc(=O)[n-]c(C2CC2)n1 39121156 351493616 /nfs/dbraw/zinc/49/36/16/351493616.db2.gz TZZYSMUICIXNIV-UHFFFAOYSA-N -1 3 180.207 1.046 10 0 ADAEHM O=Cc1c[n-]c(-c2ccco2)n1 39116125 351493639 /nfs/dbraw/zinc/49/36/39/351493639.db2.gz FUSYAUXYLGUDOM-UHFFFAOYSA-N -1 3 162.148 1.482 10 0 ADAEHM [O-]c1ccccc1Cc1c[nH]cn1 39132761 351494702 /nfs/dbraw/zinc/49/47/02/351494702.db2.gz NNCIUGCUUXBOSQ-UHFFFAOYSA-N -1 3 174.203 1.706 10 0 ADAEHM O=Cc1cc(O)cc([O-])c1F 39125439 351494921 /nfs/dbraw/zinc/49/49/21/351494921.db2.gz WIHCBZNXQJBQEC-UHFFFAOYSA-N -1 3 156.112 1.049 10 0 ADAEHM c1cc2c(ccc3n[n-]nc32)o1 39136317 351495678 /nfs/dbraw/zinc/49/56/78/351495678.db2.gz OAPNEBFBGFFQOU-UHFFFAOYSA-N -1 3 159.148 1.704 10 0 ADAEHM O=c1[n-]c(Cl)cs1 39134648 351495802 /nfs/dbraw/zinc/49/58/02/351495802.db2.gz JTADMFNYNAFEMS-UHFFFAOYSA-N -1 3 135.575 1.502 10 0 ADAEHM O=Cc1c([O-])ccc2occc12 39136400 351496905 /nfs/dbraw/zinc/49/69/05/351496905.db2.gz GVGJOILGRQOAHK-UHFFFAOYSA-N -1 3 162.144 1.951 10 0 ADAEHM CC(C)C(=O)[N-]C(=O)c1ccccc1 39426411 351503074 /nfs/dbraw/zinc/50/30/74/351503074.db2.gz XKRJZKAIEPCDHI-UHFFFAOYSA-N -1 3 191.230 1.599 10 0 ADAEHM CC(C)(Nc1ccncc1)C(=O)[O-] 40911215 351513315 /nfs/dbraw/zinc/51/33/15/351513315.db2.gz JIFNMUYPBJZVKI-UHFFFAOYSA-N -1 3 180.207 1.357 10 0 ADAEHM CC(C)CCc1nccc(=O)[n-]1 43374135 351527756 /nfs/dbraw/zinc/52/77/56/351527756.db2.gz SLJDNNKZKKXHTC-UHFFFAOYSA-N -1 3 166.224 1.359 10 0 ADAEHM Cc1oc2cc3c(cc2c1[O-])OCO3 43633172 351532560 /nfs/dbraw/zinc/53/25/60/351532560.db2.gz KKBSEUNVZKPUGD-YFKPBYRVSA-N -1 3 192.170 1.379 10 0 ADAEHM [O-]c1ccc(-c2cscn2)nc1 44121390 351535580 /nfs/dbraw/zinc/53/55/80/351535580.db2.gz REPMAFHJQGBPOT-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM O=c1ccnc(-c2ccoc2)[n-]1 44117093 351535735 /nfs/dbraw/zinc/53/57/35/351535735.db2.gz TYIGXXPCJXTGLX-UHFFFAOYSA-N -1 3 162.148 1.030 10 0 ADAEHM CCOc1cc(C(=O)OC)ccc1[O-] 44199482 351536498 /nfs/dbraw/zinc/53/64/98/351536498.db2.gz FSYOMFADSJUQJN-UHFFFAOYSA-N -1 3 196.202 1.578 10 0 ADAEHM [O-]c1c(F)cc(F)cc1CO 44198963 351536812 /nfs/dbraw/zinc/53/68/12/351536812.db2.gz LFIGSZQZHSJDPH-UHFFFAOYSA-N -1 3 160.119 1.163 10 0 ADAEHM c1cc2n[n-]nc2c2conc12 45814161 351543074 /nfs/dbraw/zinc/54/30/74/351543074.db2.gz VQGNRAFAWDHDFX-UHFFFAOYSA-N -1 3 160.136 1.099 10 0 ADAEHM O=Cc1nc2cscc2[n-]1 45793526 351543606 /nfs/dbraw/zinc/54/36/06/351543606.db2.gz XNTKSUBBYUAQHW-UHFFFAOYSA-N -1 3 152.178 1.437 10 0 ADAEHM CCSCc1n[n-]sc1=NN 51150301 351556543 /nfs/dbraw/zinc/55/65/43/351556543.db2.gz SKZAFWCBEFEZIY-UHFFFAOYSA-N -1 3 190.297 1.077 10 0 ADAEHM [O-]c1cnc(-c2ccc(F)cc2)nc1 59025430 351580868 /nfs/dbraw/zinc/58/08/68/351580868.db2.gz BVDGZALSDBAOJT-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM O=c1[nH]cccc1-c1ccccc1[O-] 65337626 351591741 /nfs/dbraw/zinc/59/17/41/351591741.db2.gz SXTGSUUSUUSWEZ-UHFFFAOYSA-N -1 3 187.198 1.748 10 0 ADAEHM O=c1cc[nH]c(-c2ccccc2[O-])c1 65355593 351591882 /nfs/dbraw/zinc/59/18/82/351591882.db2.gz IIJHKCCCUFWOQE-UHFFFAOYSA-N -1 3 187.198 1.748 10 0 ADAEHM [O-]c1cnc(-c2ccoc2)nc1 72192062 351615030 /nfs/dbraw/zinc/61/50/30/351615030.db2.gz FTPALMZIMUUCSU-UHFFFAOYSA-N -1 3 162.148 1.442 10 0 ADAEHM [O-]c1cnc(-c2ccsc2)nc1 72192061 351614525 /nfs/dbraw/zinc/61/45/25/351614525.db2.gz QVTWXLUBYGGLSG-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM [O-]c1cnc(-c2cccnc2)nc1 72192057 351614569 /nfs/dbraw/zinc/61/45/69/351614569.db2.gz BPYOSAOPEIXLOV-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM [O-]c1cnc(-c2ccco2)nc1 72192060 351614777 /nfs/dbraw/zinc/61/47/77/351614777.db2.gz POCWFZBPGXHYRJ-UHFFFAOYSA-N -1 3 162.148 1.442 10 0 ADAEHM [O-]c1cncc(-c2cncnc2)c1 72192778 351614909 /nfs/dbraw/zinc/61/49/09/351614909.db2.gz JHWULHNMSXZWHZ-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM [O-]c1cnc(-c2cccs2)nc1 72192059 351614962 /nfs/dbraw/zinc/61/49/62/351614962.db2.gz PQRBKNYSYXJHBE-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM [O-]c1cnc(-c2ccncc2)nc1 72192058 351615130 /nfs/dbraw/zinc/61/51/30/351615130.db2.gz IMBOOAUURIMYFN-UHFFFAOYSA-N -1 3 173.175 1.244 10 0 ADAEHM [O-]c1cncc(OC2CCC2)c1 72192782 351615135 /nfs/dbraw/zinc/61/51/35/351615135.db2.gz BPAXHOAITGETLF-UHFFFAOYSA-N -1 3 165.192 1.719 10 0 ADAEHM [O-]c1cncc(-c2ccccn2)c1 72192770 351615179 /nfs/dbraw/zinc/61/51/79/351615179.db2.gz XRNCCHNPKZSPST-UHFFFAOYSA-N -1 3 172.187 1.849 10 0 ADAEHM CC(C)(O)c1cccc([O-])c1F 79057863 351628066 /nfs/dbraw/zinc/62/80/66/351628066.db2.gz MTKSYBGJWLODQK-UHFFFAOYSA-N -1 3 170.183 1.759 10 0 ADAEHM O=Cc1c([O-])ccc2[nH]ccc12 82405198 351637062 /nfs/dbraw/zinc/63/70/62/351637062.db2.gz VLTJOXHHBNNAEB-UHFFFAOYSA-N -1 3 161.160 1.686 10 0 ADAEHM O=Cc1ccc2[nH][n-]c(=O)c2c1 82404956 351637228 /nfs/dbraw/zinc/63/72/28/351637228.db2.gz OFBMLBRCDUOUHY-UHFFFAOYSA-N -1 3 162.148 1.081 10 0 ADAEHM CCOc1nc2c([O-])cccc2[nH]1 89195047 351662113 /nfs/dbraw/zinc/66/21/13/351662113.db2.gz ATCRVECNPGUQLI-UHFFFAOYSA-N -1 3 178.191 1.667 10 0 ADAEHM S=c1[n-]ccc2n[nH]cc12 89220360 351663918 /nfs/dbraw/zinc/66/39/18/351663918.db2.gz RQKGKQKPQGJPJE-UHFFFAOYSA-N -1 3 151.194 1.620 10 0 ADAEHM [O-]c1cnc(Cl)c2[nH]ccc12 89213002 351664244 /nfs/dbraw/zinc/66/42/44/351664244.db2.gz CVWNPZCOZOABRL-UHFFFAOYSA-N -1 3 168.583 1.922 10 0 ADAEHM C[C@@H](c1ccc[nH]1)N1CC(C(=O)[O-])C1 95088938 351668054 /nfs/dbraw/zinc/66/80/54/351668054.db2.gz NHAUNLZVNRKIDE-ZETCQYMHSA-N -1 3 194.234 1.092 10 0 ADAEHM c1cc2ncn3cc[n-]c(c1)c23 95922937 351675426 /nfs/dbraw/zinc/67/54/26/351675426.db2.gz UDILIWAITCTBJM-UHFFFAOYSA-N -1 3 157.176 1.816 10 0 ADAEHM c1nc2ccc3n[n-]oc3c2n1 95921928 351675453 /nfs/dbraw/zinc/67/54/53/351675453.db2.gz WIDIBCPKNUBLCR-UHFFFAOYSA-N -1 3 160.136 1.099 10 0 ADAEHM c1nc2ccc3n[n-]sc3c2n1 95922882 351675518 /nfs/dbraw/zinc/67/55/18/351675518.db2.gz ZBAPTBRNNCVUFB-UHFFFAOYSA-N -1 3 176.204 1.568 10 0 ADAEHM [O-]c1cnc2scnc2c1 95931452 351676356 /nfs/dbraw/zinc/67/63/56/351676356.db2.gz AQVOLTZUFZEYSX-UHFFFAOYSA-N -1 3 152.178 1.397 10 0 ADAEHM O=c1[n-]cncc1C1CCCC1 96312711 351680250 /nfs/dbraw/zinc/68/02/50/351680250.db2.gz JHGLTRISUQJPFG-UHFFFAOYSA-N -1 3 164.208 1.428 10 0 ADAEHM O=c1[n-]cncc1Cc1ccccc1 96312688 351680357 /nfs/dbraw/zinc/68/03/57/351680357.db2.gz MIXSIMGCLDYGMF-UHFFFAOYSA-N -1 3 186.214 1.361 10 0 ADAEHM O=c1[n-]cncc1-c1ccc(F)cc1 96301864 351680735 /nfs/dbraw/zinc/68/07/35/351680735.db2.gz CKEWPWSJPYYZFA-UHFFFAOYSA-N -1 3 190.177 1.576 10 0 ADAEHM O=c1[n-]cncc1-c1ccccc1O 96301430 351680783 /nfs/dbraw/zinc/68/07/83/351680783.db2.gz QPPHRKADXIQDPO-UHFFFAOYSA-N -1 3 188.186 1.143 10 0 ADAEHM O=c1[n-]cncc1-c1cccc(O)c1 96312760 351680795 /nfs/dbraw/zinc/68/07/95/351680795.db2.gz ILAKMRVFUHCTTN-UHFFFAOYSA-N -1 3 188.186 1.143 10 0 ADAEHM O=c1[n-]cncc1-c1ccoc1 96312700 351680806 /nfs/dbraw/zinc/68/08/06/351680806.db2.gz BKKGGIXHJXIUDE-UHFFFAOYSA-N -1 3 162.148 1.030 10 0 ADAEHM O=c1[n-]cncc1-c1ccc(O)cc1 96312716 351680843 /nfs/dbraw/zinc/68/08/43/351680843.db2.gz OZNKMJUKQJQOGJ-UHFFFAOYSA-N -1 3 188.186 1.143 10 0 ADAEHM [O-]c1cccc2c(O)coc12 100050745 351688319 /nfs/dbraw/zinc/68/83/19/351688319.db2.gz MGKXFRSMTQMJDI-UHFFFAOYSA-N -1 3 150.133 1.844 10 0 ADAEHM Cc1oc2cnccc2c1[O-] 100189216 351692032 /nfs/dbraw/zinc/69/20/32/351692032.db2.gz OZQXPHITVRUPFZ-YFKPBYRVSA-N -1 3 149.149 1.045 10 0 ADAEHM [O-]c1ccn2cccc2c1 100228391 351692724 /nfs/dbraw/zinc/69/27/24/351692724.db2.gz JPHZXOMIVRMJNA-UHFFFAOYSA-N -1 3 133.150 1.645 10 0 ADAEHM S=c1c2c(nc3[n-]cnn13)CCC2 100227668 351692759 /nfs/dbraw/zinc/69/27/59/351692759.db2.gz PFNUYBITWJFFND-UHFFFAOYSA-N -1 3 192.247 1.276 10 0 ADAEHM S=c1[n-]cnc2[nH]ccc12 100728769 351701300 /nfs/dbraw/zinc/70/13/00/351701300.db2.gz JXYXGAQKIILSLR-UHFFFAOYSA-N -1 3 151.194 1.398 10 0 ADAEHM Cc1cc(=O)cc2[n-][nH]cc1-2 138353322 351742588 /nfs/dbraw/zinc/74/25/88/351742588.db2.gz ODGIEDUSKFHMEY-UHFFFAOYSA-N -1 3 148.165 1.116 10 0 ADAEHM [O-]c1ccc2c(c1)nnn2CC1CC1 141040811 351745162 /nfs/dbraw/zinc/74/51/62/351745162.db2.gz MMIIFIZYZOACNE-UHFFFAOYSA-N -1 3 189.218 1.547 10 0 ADAEHM Cc1ccoc1-c1nc(C=O)c[n-]1 161338365 351759211 /nfs/dbraw/zinc/75/92/11/351759211.db2.gz GMZKYAGTHSHRHX-UHFFFAOYSA-N -1 3 176.175 1.791 10 0 ADAEHM Cc1nc(NC2(C)CC2)cc(=O)[n-]1 165936495 351766824 /nfs/dbraw/zinc/76/68/24/351766824.db2.gz KTHCFOHWDWTQFQ-UHFFFAOYSA-N -1 3 179.223 1.455 10 0 ADAEHM CC1(Nc2cc(=O)[n-]cn2)CCC1 165937274 351766839 /nfs/dbraw/zinc/76/68/39/351766839.db2.gz VVZHZQCMVCKTNE-UHFFFAOYSA-N -1 3 179.223 1.124 10 0 ADAEHM C[C@@H]1C=C([C@H](N)C(=O)[O-])C[C@H](C)C1 167852982 351768545 /nfs/dbraw/zinc/76/85/45/351768545.db2.gz CTCDAFPMXJOMCZ-OOZYFLPDSA-N -1 3 183.251 1.391 10 0 ADAEHM C[C@@H]1C=C([C@H](N)C(=O)[O-])C[C@@H](C)C1 167853093 351768528 /nfs/dbraw/zinc/76/85/28/351768528.db2.gz CTCDAFPMXJOMCZ-ZKWXMUAHSA-N -1 3 183.251 1.391 10 0 ADAEHM CC1CN(C(=O)c2ccccc2[O-])C1 201020002 351781192 /nfs/dbraw/zinc/78/11/92/351781192.db2.gz FWVYKOKLWWGXMT-UHFFFAOYSA-N -1 3 191.230 1.484 10 0 ADAEHM CN([O-])C(=O)OCC[Si](C)(C)C 220093092 351792017 /nfs/dbraw/zinc/79/20/17/351792017.db2.gz GCEYQIIOZSOZGC-UHFFFAOYSA-N -1 3 191.303 1.782 10 0 ADAEHM CO[C@@H](C)C(=O)[N-]c1onc(C)c1C 224998127 351796833 /nfs/dbraw/zinc/79/68/33/351796833.db2.gz ZRVFNPSRELFHQH-ZETCQYMHSA-N -1 3 198.222 1.265 10 0 ADAEHM CO[C@H](C)C(=O)[N-]c1onc(C)c1C 224998170 351796902 /nfs/dbraw/zinc/79/69/02/351796902.db2.gz ZRVFNPSRELFHQH-SSDOTTSWSA-N -1 3 198.222 1.265 10 0 ADAEHM C[C@H](NO)c1ccc([O-])cc1F 235512373 351816711 /nfs/dbraw/zinc/81/67/11/351816711.db2.gz GXQJXIHDCGYLKJ-YFKPBYRVSA-N -1 3 171.171 1.571 10 0 ADAEHM Cc1ccc(-c2cc(=O)[n-]cn2)cn1 235881972 351817072 /nfs/dbraw/zinc/81/70/72/351817072.db2.gz JEIYTLABXIYJQK-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM Cc1ccc(-c2cc(=O)[n-]cn2)s1 235882019 351817577 /nfs/dbraw/zinc/81/75/77/351817577.db2.gz YHZPZSCOLXOSRV-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM Cc1cccc(-c2n[n-]c(=O)s2)c1 235895023 351817880 /nfs/dbraw/zinc/81/78/80/351817880.db2.gz RQBIEBWRHRMSBK-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM C[C@@H](NO)c1ccc([O-])c(F)c1 238409853 351821426 /nfs/dbraw/zinc/82/14/26/351821426.db2.gz OAKFBUZMLRXHDZ-RXMQYKEDSA-N -1 3 171.171 1.571 10 0 ADAEHM Cc1[n-]n(C(C)(C)C)c(=O)c1CN 257855805 351853114 /nfs/dbraw/zinc/85/31/14/351853114.db2.gz FVCLLKWELAWOQK-UHFFFAOYSA-N -1 3 183.255 1.111 10 0 ADAEHM COc1c(C(C)=O)ccc(F)c1[O-] 257974935 351856582 /nfs/dbraw/zinc/85/65/82/351856582.db2.gz DEOWINPONSRFGE-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM NCc1c[n-]n(C2CCCC2)c1=O 258093853 351858801 /nfs/dbraw/zinc/85/88/01/351858801.db2.gz URVQKCNXENHPDQ-UHFFFAOYSA-N -1 3 181.239 1.163 10 0 ADAEHM COc1cc(F)c([O-])cc1C(C)=O 258106267 351859063 /nfs/dbraw/zinc/85/90/63/351859063.db2.gz PECGVMRXENCLPN-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM CN(C)Cc1ccc(F)c([O-])c1 258147426 351859627 /nfs/dbraw/zinc/85/96/27/351859627.db2.gz OZFHNAXEFJFRFL-UHFFFAOYSA-N -1 3 169.199 1.593 10 0 ADAEHM COc1cc(F)cc([O-])c1C(C)=O 258133630 351859864 /nfs/dbraw/zinc/85/98/64/351859864.db2.gz RPSXOEPRRNOANU-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM [O-]c1csc(-c2ccc[nH]2)n1 259200788 351871238 /nfs/dbraw/zinc/87/12/38/351871238.db2.gz HJVVOOAEZXRYJM-UHFFFAOYSA-N -1 3 166.205 1.844 10 0 ADAEHM COC(=O)c1[n-]c(=S)sc1C 260997098 351887295 /nfs/dbraw/zinc/88/72/95/351887295.db2.gz RREZEYRBMYMWSY-UHFFFAOYSA-N -1 3 189.261 1.527 10 0 ADAEHM COC(=O)c1cc(C)c([O-])cc1F 260035933 351882599 /nfs/dbraw/zinc/88/25/99/351882599.db2.gz HHDCCOFZBIOIHT-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM COC(=O)Cc1cc(C)c([O-])cc1F 260022866 351882739 /nfs/dbraw/zinc/88/27/39/351882739.db2.gz GPJGEQGBQBHOAG-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1c(C)ccc(F)c1[O-] 259992025 351882936 /nfs/dbraw/zinc/88/29/36/351882936.db2.gz IDWSHLKAEIXWSH-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1c(F)ccc(C)c1[O-] 260248170 351884089 /nfs/dbraw/zinc/88/40/89/351884089.db2.gz YGESHCLPZNNJHS-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1c([O-])ccc(C)c1F 260209231 351884306 /nfs/dbraw/zinc/88/43/06/351884306.db2.gz VZTVKCOGAYXVRM-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)c1cc(C)cc([O-])c1F 260279565 351884804 /nfs/dbraw/zinc/88/48/04/351884804.db2.gz VUGNPGZBFLVICJ-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM COC(=O)Cc1cc(C)cc([O-])c1F 260276407 351884828 /nfs/dbraw/zinc/88/48/28/351884828.db2.gz VNYINNKOFMUHLV-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM CCOC(=O)c1ccc([O-])c(N)c1F 260402479 351884970 /nfs/dbraw/zinc/88/49/70/351884970.db2.gz BPWVTABMQIOXKU-UHFFFAOYSA-N -1 3 199.181 1.290 10 0 ADAEHM CCOC(=O)c1cc(N)c([O-])cc1F 260972161 351887330 /nfs/dbraw/zinc/88/73/30/351887330.db2.gz LFDWTYXXRYVWAF-UHFFFAOYSA-N -1 3 199.181 1.290 10 0 ADAEHM COC(=O)c1c(C)ccc(F)c1[O-] 261005918 351888094 /nfs/dbraw/zinc/88/80/94/351888094.db2.gz UUOMQRBNOAQJKO-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM CCOC(=O)c1cc(N)c([O-])c(F)c1 261012261 351888496 /nfs/dbraw/zinc/88/84/96/351888496.db2.gz WOXZUIMZXJADQF-UHFFFAOYSA-N -1 3 199.181 1.290 10 0 ADAEHM CCOC(=O)c1cc(N)c(F)c([O-])c1 261033246 351888520 /nfs/dbraw/zinc/88/85/20/351888520.db2.gz BGEDSXPEVIVEBM-UHFFFAOYSA-N -1 3 199.181 1.290 10 0 ADAEHM COC(=O)Cc1cc([O-])c(F)cc1C 261126789 351889201 /nfs/dbraw/zinc/88/92/01/351889201.db2.gz KGCISZPHLCQAJD-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1cc(F)c([O-])cc1C 261138974 351889654 /nfs/dbraw/zinc/88/96/54/351889654.db2.gz NWDMJHRCZAGFTG-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1cc(C)cc(F)c1[O-] 261240558 351890600 /nfs/dbraw/zinc/89/06/00/351890600.db2.gz ZXXBHHCPLYCTJD-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM CC(F)(F)c1nc2cncnc2[n-]1 306157966 351903268 /nfs/dbraw/zinc/90/32/68/351903268.db2.gz CVFNOLVKGNNHGP-UHFFFAOYSA-N -1 3 184.149 1.465 10 0 ADAEHM Cc1cc(=S)n([C@H]2CCOC2)[n-]1 306226636 351910517 /nfs/dbraw/zinc/91/05/17/351910517.db2.gz GUPWYFHHBHTPFF-ZETCQYMHSA-N -1 3 184.264 1.442 10 0 ADAEHM Cc1cc(=S)n([C@@H]2CCOC2)[n-]1 306226635 351910561 /nfs/dbraw/zinc/91/05/61/351910561.db2.gz GUPWYFHHBHTPFF-SSDOTTSWSA-N -1 3 184.264 1.442 10 0 ADAEHM COC(C)(C)C1CC(=O)C=C([O-])C1 306540976 351942804 /nfs/dbraw/zinc/94/28/04/351942804.db2.gz PFXIXNHGCDRROI-UHFFFAOYSA-N -1 3 184.235 1.350 10 0 ADAEHM Cc1[n-]n(CC(F)(F)F)c(=O)c1N 307340430 352004937 /nfs/dbraw/zinc/00/49/37/352004937.db2.gz SVVKWUSCQOZMNM-UHFFFAOYSA-N -1 3 195.144 1.042 10 0 ADAEHM CC(C)C(=O)NCc1ncccc1[O-] 336063018 352124046 /nfs/dbraw/zinc/12/40/46/352124046.db2.gz VUUSBGIFEQQIGR-UHFFFAOYSA-N -1 3 194.234 1.059 10 0 ADAEHM CC(=O)[N-]OCC1CC(C)(C)C1 530159259 352186440 /nfs/dbraw/zinc/18/64/40/352186440.db2.gz GFHUAFZPPTVYSA-UHFFFAOYSA-N -1 3 171.240 1.490 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)CCOCC2 575444872 352206696 /nfs/dbraw/zinc/20/66/96/352206696.db2.gz YDHPIIZZWOJPJR-SSDOTTSWSA-N -1 3 194.234 1.203 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)CCOCC2 575444873 352206706 /nfs/dbraw/zinc/20/67/06/352206706.db2.gz YDHPIIZZWOJPJR-ZETCQYMHSA-N -1 3 194.234 1.203 10 0 ADAEHM O=c1[n-]nc(Cl)c2cccnc12 575448798 352207331 /nfs/dbraw/zinc/20/73/31/352207331.db2.gz CLFRRDOGWNYFFG-UHFFFAOYSA-N -1 3 181.582 1.384 10 0 ADAEHM Cc1ncsc1-c1cnc[n-]c1=O 575451732 352215422 /nfs/dbraw/zinc/21/54/22/352215422.db2.gz MGUADKZKEMQIKZ-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM CSCCc1nccc(=O)[n-]1 575452196 352216902 /nfs/dbraw/zinc/21/69/02/352216902.db2.gz KEJRUDYKTHVSBD-UHFFFAOYSA-N -1 3 170.237 1.088 10 0 ADAEHM Cc1nc(-c2nc([O-])cs2)[nH]c1C 575452147 352216994 /nfs/dbraw/zinc/21/69/94/352216994.db2.gz QMPYVECGAIYHRG-UHFFFAOYSA-N -1 3 195.247 1.047 10 0 ADAEHM FC(F)(F)c1c[n-]c(=S)o1 575453047 352217950 /nfs/dbraw/zinc/21/79/50/352217950.db2.gz NMQRGEQBOWWMHU-UHFFFAOYSA-N -1 3 169.127 1.982 10 0 ADAEHM Cc1nc(-c2nc([O-])cs2)[nH]c1C 575453021 352218238 /nfs/dbraw/zinc/21/82/38/352218238.db2.gz BIPTXXKFFMCBHC-UHFFFAOYSA-N -1 3 195.247 1.856 10 0 ADAEHM Nc1[n-]c(=O)oc1CC(F)(F)F 575453232 352218506 /nfs/dbraw/zinc/21/85/06/352218506.db2.gz CWMXJRVGGMOHAI-UWTATZPHSA-N -1 3 182.101 1.024 10 0 ADAEHM Nc1[n-]c(=O)oc1CC(F)(F)F 575453224 352218810 /nfs/dbraw/zinc/21/88/10/352218810.db2.gz CWMXJRVGGMOHAI-REOHCLBHSA-N -1 3 182.101 1.024 10 0 ADAEHM O=c1[n-]nc(-c2ncccc2Cl)o1 575453185 352218872 /nfs/dbraw/zinc/21/88/72/352218872.db2.gz TVTWLAGTGIMZLJ-UHFFFAOYSA-N -1 3 197.581 1.491 10 0 ADAEHM C1CSCC[C@H](c2nnn[n-]2)C1 575453329 352219377 /nfs/dbraw/zinc/21/93/77/352219377.db2.gz BRXRHAUDFMVQKX-ZCFIWIBFSA-N -1 3 184.268 1.200 10 0 ADAEHM C1CSCC[C@H](c2nn[n-]n2)C1 575453329 352219381 /nfs/dbraw/zinc/21/93/81/352219381.db2.gz BRXRHAUDFMVQKX-ZCFIWIBFSA-N -1 3 184.268 1.200 10 0 ADAEHM C1CSCC[C@@H](c2nnn[n-]2)C1 575453325 352219962 /nfs/dbraw/zinc/21/99/62/352219962.db2.gz BRXRHAUDFMVQKX-LURJTMIESA-N -1 3 184.268 1.200 10 0 ADAEHM C1CSCC[C@@H](c2nn[n-]n2)C1 575453325 352219966 /nfs/dbraw/zinc/21/99/66/352219966.db2.gz BRXRHAUDFMVQKX-LURJTMIESA-N -1 3 184.268 1.200 10 0 ADAEHM Cc1ncc(-c2cc(=O)[n-]cn2)s1 575453695 352221282 /nfs/dbraw/zinc/22/12/82/352221282.db2.gz KSFQPYAQWZFRBV-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM S=c1[n-]nc(-c2ccns2)o1 575453712 352221367 /nfs/dbraw/zinc/22/13/67/352221367.db2.gz HGIZAFJSSAOHGU-UHFFFAOYSA-N -1 3 185.233 1.482 10 0 ADAEHM Cc1ccc(NC#N)cc1[O-] 575454139 352223708 /nfs/dbraw/zinc/22/37/08/352223708.db2.gz QDPKKFRGUPHENR-UHFFFAOYSA-N -1 3 148.165 1.594 10 0 ADAEHM CN1CCC[C@H]1c1nc(Cl)n[n-]1 575455437 352226191 /nfs/dbraw/zinc/22/61/91/352226191.db2.gz CXYPKEFVRPNNJG-YFKPBYRVSA-N -1 3 186.646 1.225 10 0 ADAEHM CN1CCC[C@@H]1c1nc(Cl)n[n-]1 575455434 352226371 /nfs/dbraw/zinc/22/63/71/352226371.db2.gz CXYPKEFVRPNNJG-RXMQYKEDSA-N -1 3 186.646 1.225 10 0 ADAEHM Cc1ncc(-c2cnc[n-]c2=O)s1 575455896 352227696 /nfs/dbraw/zinc/22/76/96/352227696.db2.gz FKDGBKZXMLRPGU-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM Cc1cnc(-c2nnc(Cl)[n-]2)cn1 575456621 352231038 /nfs/dbraw/zinc/23/10/38/352231038.db2.gz NEGBANIDFOWTFK-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1cnc(-c2n[n-]c(Cl)n2)cn1 575456621 352231041 /nfs/dbraw/zinc/23/10/41/352231041.db2.gz NEGBANIDFOWTFK-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1cnc(-c2nc(Cl)n[n-]2)cn1 575456621 352231044 /nfs/dbraw/zinc/23/10/44/352231044.db2.gz NEGBANIDFOWTFK-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM [O-]c1cncc(-c2cncs2)c1 575457531 352232854 /nfs/dbraw/zinc/23/28/54/352232854.db2.gz AWOTWFMGYNDIMB-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM Cc1cc([O-])cc(NC#N)c1 575457967 352234818 /nfs/dbraw/zinc/23/48/18/352234818.db2.gz PBKRNQOAQCNAQA-UHFFFAOYSA-N -1 3 148.165 1.594 10 0 ADAEHM Cc1cc(=S)n(-c2nccn2C)[n-]1 575461445 352247254 /nfs/dbraw/zinc/24/72/54/352247254.db2.gz ITXXXAVPCVIXSR-UHFFFAOYSA-N -1 3 194.263 1.203 10 0 ADAEHM Cn1nccc1-c1ccc(=S)[n-]n1 575461364 352247445 /nfs/dbraw/zinc/24/74/45/352247445.db2.gz ZXYAJRRDRBHLQZ-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM O=c1ccnc(C[C@@H]2CC2(F)F)[n-]1 575462726 352253040 /nfs/dbraw/zinc/25/30/40/352253040.db2.gz FBTSZKQJEBSMGK-RXMQYKEDSA-N -1 3 186.161 1.380 10 0 ADAEHM FC(F)C1(c2n[n-]c(=S)[nH]2)CC1 575462975 352253698 /nfs/dbraw/zinc/25/36/98/352253698.db2.gz SAPZWUYINNIFDN-UHFFFAOYSA-N -1 3 191.206 1.390 10 0 ADAEHM C[C@H](CF)n1ccc(=O)[n-]c1=S 575463548 352255157 /nfs/dbraw/zinc/25/51/57/352255157.db2.gz DCWGYOVLHSDPNH-RXMQYKEDSA-N -1 3 188.227 1.849 10 0 ADAEHM C[C@@H](CF)n1ccc(=O)[n-]c1=S 575463550 352255304 /nfs/dbraw/zinc/25/53/04/352255304.db2.gz DCWGYOVLHSDPNH-YFKPBYRVSA-N -1 3 188.227 1.849 10 0 ADAEHM S=c1[n-]nc(-c2ccsn2)o1 575464057 352256789 /nfs/dbraw/zinc/25/67/89/352256789.db2.gz ZQIACZADHAPKKL-UHFFFAOYSA-N -1 3 185.233 1.482 10 0 ADAEHM Cc1nc(NC2CSC2)cc(=O)[n-]1 575464230 352258336 /nfs/dbraw/zinc/25/83/36/352258336.db2.gz CRAMHGIDOKBNBJ-UHFFFAOYSA-N -1 3 197.263 1.018 10 0 ADAEHM CCc1cn[n-]c(=S)c1 575464459 352259007 /nfs/dbraw/zinc/25/90/07/352259007.db2.gz UELPHJJAJQOOKJ-UHFFFAOYSA-N -1 3 140.211 1.328 10 0 ADAEHM Cn1cnc(-c2ccc(=S)[n-]n2)c1 575464706 352260380 /nfs/dbraw/zinc/26/03/80/352260380.db2.gz QYSNNKGVMRKJDK-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM Fc1cncc(-c2nc(Cl)n[n-]2)c1 575465087 352261626 /nfs/dbraw/zinc/26/16/26/352261626.db2.gz HEZMPWAVTQLLCG-UHFFFAOYSA-N -1 3 198.588 1.659 10 0 ADAEHM FC(F)(F)c1cn[n-]c(=S)c1 575465151 352261629 /nfs/dbraw/zinc/26/16/29/352261629.db2.gz TYISWXLVIJWPIZ-UHFFFAOYSA-N -1 3 180.154 1.784 10 0 ADAEHM O=c1[n-][nH]c(=S)n1CC1=CCCC1 575465408 352263255 /nfs/dbraw/zinc/26/32/55/352263255.db2.gz BLQCSRWMDNNYNJ-UHFFFAOYSA-N -1 3 197.263 1.383 10 0 ADAEHM N#CNc1ccc([O-])c(F)c1 575466123 352266169 /nfs/dbraw/zinc/26/61/69/352266169.db2.gz QTDGWBHEPUQENP-UHFFFAOYSA-N -1 3 152.128 1.424 10 0 ADAEHM O=C1Cc2c(ccc([O-])c2F)N1 575466749 352268494 /nfs/dbraw/zinc/26/84/94/352268494.db2.gz HWNGGUCTRZHKOH-UHFFFAOYSA-N -1 3 167.139 1.718 10 0 ADAEHM O=c1ccnc([C@H]2C[C@@H]3C[C@@H]3C2)[n-]1 575466989 352269038 /nfs/dbraw/zinc/26/90/38/352269038.db2.gz IJAYYPHKVYVPNB-RNLVFQAGSA-N -1 3 176.219 1.696 10 0 ADAEHM N#CN1CCCc2cccc([O-])c21 575467389 352271049 /nfs/dbraw/zinc/27/10/49/352271049.db2.gz SRWGHIZRJXIWMN-UHFFFAOYSA-N -1 3 174.203 1.626 10 0 ADAEHM Cn1cnc(-c2cn[n-]c(=S)c2)c1 575469748 352280280 /nfs/dbraw/zinc/28/02/80/352280280.db2.gz JRWDFXXPNCWMEN-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM S=c1cc(-c2cncs2)cn[n-]1 575470438 352283264 /nfs/dbraw/zinc/28/32/64/352283264.db2.gz JAUWSHSBQOVUNS-UHFFFAOYSA-N -1 3 195.272 1.889 10 0 ADAEHM CN1CC[C@H](c2nc(=S)o[n-]2)C1 575470777 352284912 /nfs/dbraw/zinc/28/49/12/352284912.db2.gz NPDASTNJMPUKLZ-YFKPBYRVSA-N -1 3 185.252 1.151 10 0 ADAEHM CN1CC[C@@H](c2nc(=S)o[n-]2)C1 575470776 352284934 /nfs/dbraw/zinc/28/49/34/352284934.db2.gz NPDASTNJMPUKLZ-RXMQYKEDSA-N -1 3 185.252 1.151 10 0 ADAEHM Cc1c(-c2cncs2)nc[n-]c1=O 575471236 352285812 /nfs/dbraw/zinc/28/58/12/352285812.db2.gz AXEKAWJXRRDCDA-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM Cn1nccc1-c1cn[n-]c(=S)c1 575471977 352288756 /nfs/dbraw/zinc/28/87/56/352288756.db2.gz SVRCGWWQWMQPJE-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM O=C1[N-]c2c(ccc(F)c2Cl)C1=O 575478256 352294827 /nfs/dbraw/zinc/29/48/27/352294827.db2.gz UIJAREZEVBOFCZ-UHFFFAOYSA-N -1 3 199.568 1.614 10 0 ADAEHM CN1C/C(=C(/F)C(=O)[O-])CC1(C)C 575478443 352295451 /nfs/dbraw/zinc/29/54/51/352295451.db2.gz GARJWQYWMIAIBQ-VOTSOKGWSA-N -1 3 187.214 1.409 10 0 ADAEHM CCc1c([O-])c2sccc2[nH]c1=O 575478592 352296039 /nfs/dbraw/zinc/29/60/39/352296039.db2.gz BTIOZDHKCMWFOM-YFKPBYRVSA-N -1 3 195.243 1.909 10 0 ADAEHM CCc1c([O-])c2sccc2[nH]c1=O 575478591 352296211 /nfs/dbraw/zinc/29/62/11/352296211.db2.gz BTIOZDHKCMWFOM-RXMQYKEDSA-N -1 3 195.243 1.909 10 0 ADAEHM Nc1cc(=O)[n-]c([C@@H]2CC23CC3)n1 575483399 352320981 /nfs/dbraw/zinc/32/09/81/352320981.db2.gz PLMLBLFFSANAGB-YFKPBYRVSA-N -1 3 177.207 1.032 10 0 ADAEHM Nc1cc(=O)[n-]c([C@H]2CC23CC3)n1 575483398 352321158 /nfs/dbraw/zinc/32/11/58/352321158.db2.gz PLMLBLFFSANAGB-RXMQYKEDSA-N -1 3 177.207 1.032 10 0 ADAEHM Nc1cnc([C@@H]2CC23CC3)[n-]c1=O 575486148 352335264 /nfs/dbraw/zinc/33/52/64/352335264.db2.gz GBFYRMRZKSMBGH-YFKPBYRVSA-N -1 3 177.207 1.032 10 0 ADAEHM Nc1cnc([C@H]2CC23CC3)[n-]c1=O 575486147 352335385 /nfs/dbraw/zinc/33/53/85/352335385.db2.gz GBFYRMRZKSMBGH-RXMQYKEDSA-N -1 3 177.207 1.032 10 0 ADAEHM CC([O-])=CC(=O)C1(Cl)CC1 575501300 352411108 /nfs/dbraw/zinc/41/11/08/352411108.db2.gz XTFNNKZNMYHZDX-UHFFFAOYSA-N -1 3 160.600 1.306 10 0 ADAEHM O=C([O-])/C=C/N1CCC(F)CC1 575511699 352467605 /nfs/dbraw/zinc/46/76/05/352467605.db2.gz VXMILKKGMGQTIV-ZZXKWVIFSA-N -1 3 173.187 1.019 10 0 ADAEHM CC(=C/C(=O)[O-])/C=C1\CCN(C)C1 575519411 352506785 /nfs/dbraw/zinc/50/67/85/352506785.db2.gz SBRSREXEPBFGFV-POEMVANMSA-N -1 3 181.235 1.279 10 0 ADAEHM CC(=C/C(=O)[O-])/C=C1/CCN(C)C1 575519413 352506860 /nfs/dbraw/zinc/50/68/60/352506860.db2.gz SBRSREXEPBFGFV-VZPCVYTNSA-N -1 3 181.235 1.279 10 0 ADAEHM CC(/C=C1/CCN(C)C1)=C\C(=O)[O-] 575519410 352506947 /nfs/dbraw/zinc/50/69/47/352506947.db2.gz SBRSREXEPBFGFV-JXCGNHFNSA-N -1 3 181.235 1.279 10 0 ADAEHM CC(=C\C(=O)[O-])/C=C1\CCN(C)C1 575519412 352507062 /nfs/dbraw/zinc/50/70/62/352507062.db2.gz SBRSREXEPBFGFV-RFSWUZDDSA-N -1 3 181.235 1.279 10 0 ADAEHM O=C([O-])/C=C/N1CCCC2(CC2)C1 575521891 352519339 /nfs/dbraw/zinc/51/93/39/352519339.db2.gz QTCNPBRTEAXSJU-FARCUNLSSA-N -1 3 181.235 1.461 10 0 ADAEHM CC(C)(c1n[n-]c(=S)[nH]1)C(F)F 575535959 352581439 /nfs/dbraw/zinc/58/14/39/352581439.db2.gz XVUOIXJEFUAECH-UHFFFAOYSA-N -1 3 193.222 1.636 10 0 ADAEHM Cc1cc(=S)n(C2CCOCC2)[n-]1 575536146 352582844 /nfs/dbraw/zinc/58/28/44/352582844.db2.gz UYHQTLBVQFVJAX-UHFFFAOYSA-N -1 3 198.291 1.832 10 0 ADAEHM C[C@H](c1n[n-]c(=O)o1)C1CCC1 575536152 352582946 /nfs/dbraw/zinc/58/29/46/352582946.db2.gz GIJHPZBMQSJVAX-YFKPBYRVSA-N -1 3 168.196 1.679 10 0 ADAEHM C[C@@H](c1n[n-]c(=O)o1)C1CCC1 575536149 352582990 /nfs/dbraw/zinc/58/29/90/352582990.db2.gz GIJHPZBMQSJVAX-RXMQYKEDSA-N -1 3 168.196 1.679 10 0 ADAEHM C[C@H]1C[C@@]1(C)Cn1c(=O)[n-][nH]c1=S 575540536 352604240 /nfs/dbraw/zinc/60/42/40/352604240.db2.gz DJYDYRJIXVZHPW-XNCJUZBTSA-N -1 3 199.279 1.319 10 0 ADAEHM C[C@@H]1C[C@]1(C)Cn1c(=O)[n-][nH]c1=S 575540505 352604285 /nfs/dbraw/zinc/60/42/85/352604285.db2.gz DJYDYRJIXVZHPW-SVGQVSJJSA-N -1 3 199.279 1.319 10 0 ADAEHM C[C@@H]1C[C@@]1(C)Cn1c(=O)[n-][nH]c1=S 575540540 352604408 /nfs/dbraw/zinc/60/44/08/352604408.db2.gz DJYDYRJIXVZHPW-XRGYYRRGSA-N -1 3 199.279 1.319 10 0 ADAEHM C[C@H]1C[C@]1(C)Cn1c(=O)[n-][nH]c1=S 575540545 352604435 /nfs/dbraw/zinc/60/44/35/352604435.db2.gz DJYDYRJIXVZHPW-YLWLKBPMSA-N -1 3 199.279 1.319 10 0 ADAEHM Clc1n[n-]c([C@@H]2CCCCO2)n1 575540745 352605105 /nfs/dbraw/zinc/60/51/05/352605105.db2.gz OCFDKLCHXLPNLZ-YFKPBYRVSA-N -1 3 187.630 1.700 10 0 ADAEHM S=c1[n-]c([C@@H]2C[C@@H]3C[C@@H]3C2)n[nH]1 575540746 352605022 /nfs/dbraw/zinc/60/50/22/352605022.db2.gz OHMUSMVBVMDSEK-FMCRUOTFSA-N -1 3 181.264 1.607 10 0 ADAEHM Clc1nnc([C@H]2CCCCO2)[n-]1 575540744 352605066 /nfs/dbraw/zinc/60/50/66/352605066.db2.gz OCFDKLCHXLPNLZ-RXMQYKEDSA-N -1 3 187.630 1.700 10 0 ADAEHM Clc1nc([C@H]2CCCCO2)n[n-]1 575540744 352605068 /nfs/dbraw/zinc/60/50/68/352605068.db2.gz OCFDKLCHXLPNLZ-RXMQYKEDSA-N -1 3 187.630 1.700 10 0 ADAEHM Clc1n[n-]c([C@H]2CCCCO2)n1 575540744 352605072 /nfs/dbraw/zinc/60/50/72/352605072.db2.gz OCFDKLCHXLPNLZ-RXMQYKEDSA-N -1 3 187.630 1.700 10 0 ADAEHM Clc1nc([C@@H]2CCCCO2)n[n-]1 575540745 352605104 /nfs/dbraw/zinc/60/51/04/352605104.db2.gz OCFDKLCHXLPNLZ-YFKPBYRVSA-N -1 3 187.630 1.700 10 0 ADAEHM Clc1nnc([C@@H]2CCCCO2)[n-]1 575540745 352605101 /nfs/dbraw/zinc/60/51/01/352605101.db2.gz OCFDKLCHXLPNLZ-YFKPBYRVSA-N -1 3 187.630 1.700 10 0 ADAEHM C[C@H]1C[C@]1(C)c1n[nH]c(=S)[n-]1 575541671 352608389 /nfs/dbraw/zinc/60/83/89/352608389.db2.gz VJJGAHCXFXTBLL-FFWSUHOLSA-N -1 3 169.253 1.391 10 0 ADAEHM C[C@@H]1C[C@]1(C)c1n[nH]c(=S)[n-]1 575541670 352608521 /nfs/dbraw/zinc/60/85/21/352608521.db2.gz VJJGAHCXFXTBLL-FBCQKBJTSA-N -1 3 169.253 1.391 10 0 ADAEHM C[C@H]1C[C@@]1(C)c1n[nH]c(=S)[n-]1 575541672 352608533 /nfs/dbraw/zinc/60/85/33/352608533.db2.gz VJJGAHCXFXTBLL-MHTLYPKNSA-N -1 3 169.253 1.391 10 0 ADAEHM C[C@@H]1C[C@@]1(C)c1n[nH]c(=S)[n-]1 575541669 352608609 /nfs/dbraw/zinc/60/86/09/352608609.db2.gz VJJGAHCXFXTBLL-CLZZGJSISA-N -1 3 169.253 1.391 10 0 ADAEHM Cc1cc(=S)n(-c2ccnn2C)[n-]1 575546645 352626201 /nfs/dbraw/zinc/62/62/01/352626201.db2.gz XGVNQMNOLWVSLD-UHFFFAOYSA-N -1 3 194.263 1.203 10 0 ADAEHM Cc1ccc([O-])cc1NC#N 575546948 352627144 /nfs/dbraw/zinc/62/71/44/352627144.db2.gz UBDDRGULAUAWTQ-UHFFFAOYSA-N -1 3 148.165 1.594 10 0 ADAEHM N#CNc1ccc([O-])c(Cl)c1 575547029 352627217 /nfs/dbraw/zinc/62/72/17/352627217.db2.gz WJYNVXDRVYNPFK-UHFFFAOYSA-N -1 3 168.583 1.939 10 0 ADAEHM CCc1[n-]c(=S)ncc1F 575547471 352628272 /nfs/dbraw/zinc/62/82/72/352628272.db2.gz DBTTUWMWZMSVPP-UHFFFAOYSA-N -1 3 158.201 1.467 10 0 ADAEHM CC1(C)C[C@@]1(C)c1n[nH]c(=S)[n-]1 575547659 352629209 /nfs/dbraw/zinc/62/92/09/352629209.db2.gz PCGGNJLBYRUPBA-QMMMGPOBSA-N -1 3 183.280 1.781 10 0 ADAEHM CC1(C)C[C@]1(C)c1n[nH]c(=S)[n-]1 575547658 352629216 /nfs/dbraw/zinc/62/92/16/352629216.db2.gz PCGGNJLBYRUPBA-MRVPVSSYSA-N -1 3 183.280 1.781 10 0 ADAEHM CCc1ccc(=S)[n-]n1 575547682 352629365 /nfs/dbraw/zinc/62/93/65/352629365.db2.gz QWRDBBWZVSKHIJ-UHFFFAOYSA-N -1 3 140.211 1.328 10 0 ADAEHM Cc1c([O-])cccc1NC#N 575550441 352638068 /nfs/dbraw/zinc/63/80/68/352638068.db2.gz RYRAJZUSENABOQ-UHFFFAOYSA-N -1 3 148.165 1.594 10 0 ADAEHM CC1CC(c2n[n-]c(=O)o2)C1 575550877 352640043 /nfs/dbraw/zinc/64/00/43/352640043.db2.gz YXUHIDRLYMLZQF-UHFFFAOYSA-N -1 3 154.169 1.289 10 0 ADAEHM S=c1[n-]c([C@]23CCC[C@H]2C3)n[nH]1 575550999 352640237 /nfs/dbraw/zinc/64/02/37/352640237.db2.gz AXAIPYXMNRDCTG-XNCJUZBTSA-N -1 3 181.264 1.535 10 0 ADAEHM S=c1[n-]c([C@@]23CCC[C@@H]2C3)n[nH]1 575550996 352640415 /nfs/dbraw/zinc/64/04/15/352640415.db2.gz AXAIPYXMNRDCTG-SVGQVSJJSA-N -1 3 181.264 1.535 10 0 ADAEHM S=c1[n-]c([C@@H]2CCC[C@H]3C[C@H]32)n[nH]1 575551178 352640627 /nfs/dbraw/zinc/64/06/27/352640627.db2.gz GJZNWBNFGVUUHT-RRKCRQDMSA-N -1 3 195.291 1.997 10 0 ADAEHM S=c1[n-]c([C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 575551177 352640979 /nfs/dbraw/zinc/64/09/79/352640979.db2.gz GJZNWBNFGVUUHT-QYNIQEEDSA-N -1 3 195.291 1.997 10 0 ADAEHM S=c1[n-]c([C@@H]2C[C@H]2C2CC2)n[nH]1 575551498 352642116 /nfs/dbraw/zinc/64/21/16/352642116.db2.gz HNCGIKNHYFDIIE-NTSWFWBYSA-N -1 3 181.264 1.607 10 0 ADAEHM S=c1[n-]c([C@H]2C[C@@H]2C2CC2)n[nH]1 575551500 352642342 /nfs/dbraw/zinc/64/23/42/352642342.db2.gz HNCGIKNHYFDIIE-RITPCOANSA-N -1 3 181.264 1.607 10 0 ADAEHM S=c1[n-]c([C@H]2C[C@H]2C2CC2)n[nH]1 575551501 352642433 /nfs/dbraw/zinc/64/24/33/352642433.db2.gz HNCGIKNHYFDIIE-WDSKDSINSA-N -1 3 181.264 1.607 10 0 ADAEHM S=c1[n-]c([C@@H]2C[C@@H]2C2CC2)n[nH]1 575551499 352642482 /nfs/dbraw/zinc/64/24/82/352642482.db2.gz HNCGIKNHYFDIIE-PHDIDXHHSA-N -1 3 181.264 1.607 10 0 ADAEHM C[C@H]1C[C@]1(C)c1n[n-]c(=O)o1 575552085 352644335 /nfs/dbraw/zinc/64/43/35/352644335.db2.gz NXJFDMBEJTZTNQ-FFWSUHOLSA-N -1 3 154.169 1.073 10 0 ADAEHM C[C@@H]1C[C@]1(C)c1n[n-]c(=O)o1 575552084 352644490 /nfs/dbraw/zinc/64/44/90/352644490.db2.gz NXJFDMBEJTZTNQ-FBCQKBJTSA-N -1 3 154.169 1.073 10 0 ADAEHM C[C@@H]1C[C@@]1(C)c1n[n-]c(=O)o1 575552083 352644570 /nfs/dbraw/zinc/64/45/70/352644570.db2.gz NXJFDMBEJTZTNQ-CLZZGJSISA-N -1 3 154.169 1.073 10 0 ADAEHM CC1(C)CC(c2n[n-]c(=O)o2)C1 575552562 352645967 /nfs/dbraw/zinc/64/59/67/352645967.db2.gz DILIQJSIJJARQD-UHFFFAOYSA-N -1 3 168.196 1.679 10 0 ADAEHM CSc1cc(C(C)C)nc(=NN)[n-]1 575552931 352647191 /nfs/dbraw/zinc/64/71/91/352647191.db2.gz KMHWOEQSKMHBAR-UHFFFAOYSA-N -1 3 198.295 1.608 10 0 ADAEHM CSc1cc(C(C)C)[n-]c(=NN)n1 575552931 352647194 /nfs/dbraw/zinc/64/71/94/352647194.db2.gz KMHWOEQSKMHBAR-UHFFFAOYSA-N -1 3 198.295 1.608 10 0 ADAEHM CC1(C)C[C@@]1(C)c1n[n-]c(=O)o1 575554440 352652423 /nfs/dbraw/zinc/65/24/23/352652423.db2.gz JXCFUPZSOZTZIJ-QMMMGPOBSA-N -1 3 168.196 1.463 10 0 ADAEHM CC1(C)C[C@]1(C)c1n[n-]c(=O)o1 575554420 352652549 /nfs/dbraw/zinc/65/25/49/352652549.db2.gz JXCFUPZSOZTZIJ-MRVPVSSYSA-N -1 3 168.196 1.463 10 0 ADAEHM S=c1[n-]c([C@]23CCCC[C@H]2C3)n[nH]1 575554531 352653100 /nfs/dbraw/zinc/65/31/00/352653100.db2.gz NSBMVJBMFCRRSZ-RCOVLWMOSA-N -1 3 195.291 1.925 10 0 ADAEHM S=c1[n-]c([C@@]23CCCC[C@@H]2C3)n[nH]1 575554528 352653111 /nfs/dbraw/zinc/65/31/11/352653111.db2.gz NSBMVJBMFCRRSZ-HZGVNTEJSA-N -1 3 195.291 1.925 10 0 ADAEHM O=c1[n-][nH]c(=S)n1[C@@]12CCC[C@@H]1C2 575555502 352656288 /nfs/dbraw/zinc/65/62/88/352656288.db2.gz GLXWVJSGMRUZKY-SVGQVSJJSA-N -1 3 197.263 1.172 10 0 ADAEHM O=c1[n-][nH]c(=S)n1[C@]12CCC[C@H]1C2 575555503 352656567 /nfs/dbraw/zinc/65/65/67/352656567.db2.gz GLXWVJSGMRUZKY-XNCJUZBTSA-N -1 3 197.263 1.172 10 0 ADAEHM N#CNc1c([O-])cccc1F 575555407 352656650 /nfs/dbraw/zinc/65/66/50/352656650.db2.gz MEGJTUBPMPHACX-UHFFFAOYSA-N -1 3 152.128 1.424 10 0 ADAEHM N#CNc1ccc([O-])cc1F 575556369 352659821 /nfs/dbraw/zinc/65/98/21/352659821.db2.gz XARHPCXQQOMWDD-UHFFFAOYSA-N -1 3 152.128 1.424 10 0 ADAEHM [O-]c1csc(N2CC[C@@H]3C[C@@H]3C2)n1 575557430 352663514 /nfs/dbraw/zinc/66/35/14/352663514.db2.gz YOZROSZIRWNDJS-RNFRBKRXSA-N -1 3 196.275 1.695 10 0 ADAEHM [O-]c1csc(N2CC[C@H]3C[C@H]3C2)n1 575557414 352663895 /nfs/dbraw/zinc/66/38/95/352663895.db2.gz YOZROSZIRWNDJS-BQBZGAKWSA-N -1 3 196.275 1.695 10 0 ADAEHM CSc1cc(C2CC2)nc(=NN)[n-]1 575559937 352674524 /nfs/dbraw/zinc/67/45/24/352674524.db2.gz UQYFQDBBUBEKLK-UHFFFAOYSA-N -1 3 196.279 1.362 10 0 ADAEHM CSc1cc(C2CC2)[n-]c(=NN)n1 575559937 352674525 /nfs/dbraw/zinc/67/45/25/352674525.db2.gz UQYFQDBBUBEKLK-UHFFFAOYSA-N -1 3 196.279 1.362 10 0 ADAEHM [O-]c1csc(N2CC[C@H]3C[C@H]32)n1 575560057 352675004 /nfs/dbraw/zinc/67/50/04/352675004.db2.gz WIWRMCRRFWGPSP-NTSWFWBYSA-N -1 3 182.248 1.447 10 0 ADAEHM [O-]c1csc(N2CC[C@@H]3C[C@@H]32)n1 575560072 352675108 /nfs/dbraw/zinc/67/51/08/352675108.db2.gz WIWRMCRRFWGPSP-RITPCOANSA-N -1 3 182.248 1.447 10 0 ADAEHM Cc1ccncc1-c1n[nH]c(=S)[n-]1 575560869 352678450 /nfs/dbraw/zinc/67/84/50/352678450.db2.gz CHCSFJRAFXPVBR-UHFFFAOYSA-N -1 3 192.247 1.464 10 0 ADAEHM COC1(c2n[nH]c(=S)[n-]2)CCCC1 575560958 352678969 /nfs/dbraw/zinc/67/89/69/352678969.db2.gz LYEWUIFMKLHFBC-UHFFFAOYSA-N -1 3 199.279 1.509 10 0 ADAEHM Cn1cncc1-c1cn[n-]c(=S)c1 575560877 352679143 /nfs/dbraw/zinc/67/91/43/352679143.db2.gz CXNUEZUROGWUCH-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM S=c1[n-]c([C@H]2CC23CC3)n[nH]1 575562041 352684073 /nfs/dbraw/zinc/68/40/73/352684073.db2.gz IVRMOFHUBRBHMK-SCSAIBSYSA-N -1 3 167.237 1.361 10 0 ADAEHM S=c1[n-]c([C@@H]2CC23CC3)n[nH]1 575562040 352684221 /nfs/dbraw/zinc/68/42/21/352684221.db2.gz IVRMOFHUBRBHMK-BYPYZUCNSA-N -1 3 167.237 1.361 10 0 ADAEHM CC1CC(c2n[nH]c(=S)[n-]2)C1 575562072 352684908 /nfs/dbraw/zinc/68/49/08/352684908.db2.gz NHZREUCDZLQMPD-UHFFFAOYSA-N -1 3 169.253 1.607 10 0 ADAEHM C[C@@H](c1n[nH]c(=S)[n-]1)C1CCC1 575562412 352686032 /nfs/dbraw/zinc/68/60/32/352686032.db2.gz RZUNTCHYSMMKNB-RXMQYKEDSA-N -1 3 183.280 1.997 10 0 ADAEHM C[C@H](c1n[nH]c(=S)[n-]1)C1CCC1 575562413 352686160 /nfs/dbraw/zinc/68/61/60/352686160.db2.gz RZUNTCHYSMMKNB-YFKPBYRVSA-N -1 3 183.280 1.997 10 0 ADAEHM CC1(C)CC(c2n[nH]c(=S)[n-]2)C1 575562467 352686573 /nfs/dbraw/zinc/68/65/73/352686573.db2.gz ZZUOOFBUTNSOAW-UHFFFAOYSA-N -1 3 183.280 1.997 10 0 ADAEHM O=c1[n-][nH]c(=S)n1C[C@H]1CC12CC2 575562448 352686582 /nfs/dbraw/zinc/68/65/82/352686582.db2.gz YBZNQYCAGQUAJX-RXMQYKEDSA-N -1 3 197.263 1.073 10 0 ADAEHM O=c1[n-][nH]c(=S)n1C[C@@H]1CC12CC2 575562449 352686770 /nfs/dbraw/zinc/68/67/70/352686770.db2.gz YBZNQYCAGQUAJX-YFKPBYRVSA-N -1 3 197.263 1.073 10 0 ADAEHM [O-]c1csc(N2CCC23CCC3)n1 575563186 352689624 /nfs/dbraw/zinc/68/96/24/352689624.db2.gz HSLZKFMKRZLJRI-UHFFFAOYSA-N -1 3 196.275 1.982 10 0 ADAEHM O=c1[n-][nH]c(=S)n1[C@H]1C=CCC1 575564325 352695595 /nfs/dbraw/zinc/69/55/95/352695595.db2.gz BZVQMBDDPFLREX-YFKPBYRVSA-N -1 3 183.236 1.164 10 0 ADAEHM O=c1cc(C2(Cl)CC2)[nH]c(=O)[n-]1 575564330 352695648 /nfs/dbraw/zinc/69/56/48/352695648.db2.gz DWHISEFQAQCLRX-UHFFFAOYSA-N -1 3 186.598 1.116 10 0 ADAEHM CC1CN(c2nc([O-])cs2)C1 575564411 352695688 /nfs/dbraw/zinc/69/56/88/352695688.db2.gz NVTTYLADJLPJJF-UHFFFAOYSA-N -1 3 170.237 1.305 10 0 ADAEHM O=c1[n-][nH]c(=S)n1[C@@H]1C=CCC1 575564324 352695696 /nfs/dbraw/zinc/69/56/96/352695696.db2.gz BZVQMBDDPFLREX-RXMQYKEDSA-N -1 3 183.236 1.164 10 0 ADAEHM Cc1cocc1-c1n[nH]c(=S)[n-]1 575564517 352696436 /nfs/dbraw/zinc/69/64/36/352696436.db2.gz XWBIXZRGRBIHQO-UHFFFAOYSA-N -1 3 181.220 1.662 10 0 ADAEHM O=c1ccnc([C@H]2CC23CC3)[n-]1 575564832 352697975 /nfs/dbraw/zinc/69/79/75/352697975.db2.gz NLPKGBVDFQWREQ-ZCFIWIBFSA-N -1 3 162.192 1.450 10 0 ADAEHM O=c1ccnc([C@@H]2CC23CC3)[n-]1 575564827 352698104 /nfs/dbraw/zinc/69/81/04/352698104.db2.gz NLPKGBVDFQWREQ-LURJTMIESA-N -1 3 162.192 1.450 10 0 ADAEHM O=c1cc(-c2cncs2)nc[n-]1 575566976 352709182 /nfs/dbraw/zinc/70/91/82/352709182.db2.gz BXQUMCZHJBGPNV-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM Cc1cocc1-c1n[n-]c(=O)o1 575569457 352720293 /nfs/dbraw/zinc/72/02/93/352720293.db2.gz FPGRKJBFQZRIKX-UHFFFAOYSA-N -1 3 166.136 1.344 10 0 ADAEHM [O-]c1csc(N2CC[C@@H](F)C2)n1 575570916 352728170 /nfs/dbraw/zinc/72/81/70/352728170.db2.gz XWGCGWKXRMVDJX-RXMQYKEDSA-N -1 3 188.227 1.397 10 0 ADAEHM [O-]c1csc(N2CC[C@H](F)C2)n1 575570920 352728326 /nfs/dbraw/zinc/72/83/26/352728326.db2.gz XWGCGWKXRMVDJX-YFKPBYRVSA-N -1 3 188.227 1.397 10 0 ADAEHM CC1(n2c(=O)[n-][nH]c2=S)CC=CC1 575574635 352747549 /nfs/dbraw/zinc/74/75/49/352747549.db2.gz JZKODPUJMRBPEZ-UHFFFAOYSA-N -1 3 197.263 1.338 10 0 ADAEHM S=c1ccc(-c2cncs2)n[n-]1 575574797 352747892 /nfs/dbraw/zinc/74/78/92/352747892.db2.gz BCQCBPFMLNWDIG-UHFFFAOYSA-N -1 3 195.272 1.889 10 0 ADAEHM [O-]c1csc(N2C[C@H]3CCC[C@H]32)n1 575574981 352748522 /nfs/dbraw/zinc/74/85/22/352748522.db2.gz NMZKRKTVIKBNHP-RNFRBKRXSA-N -1 3 196.275 1.837 10 0 ADAEHM [O-]c1csc(N2C[C@@H]3CCC[C@@H]32)n1 575574979 352748551 /nfs/dbraw/zinc/74/85/51/352748551.db2.gz NMZKRKTVIKBNHP-BQBZGAKWSA-N -1 3 196.275 1.837 10 0 ADAEHM [O-]c1csc(N2C[C@@H]3CC[C@H]3C2)n1 575574967 352748614 /nfs/dbraw/zinc/74/86/14/352748614.db2.gz NLORPCDBFWRYJJ-BQBZGAKWSA-N -1 3 196.275 1.695 10 0 ADAEHM [O-]c1csc(N2C[C@H]3CC[C@H]3C2)n1 575574973 352748634 /nfs/dbraw/zinc/74/86/34/352748634.db2.gz NLORPCDBFWRYJJ-KNVOCYPGSA-N -1 3 196.275 1.695 10 0 ADAEHM [O-]c1csc(N2C[C@H]3CC[C@@H]3C2)n1 575574978 352748677 /nfs/dbraw/zinc/74/86/77/352748677.db2.gz NLORPCDBFWRYJJ-RNFRBKRXSA-N -1 3 196.275 1.695 10 0 ADAEHM [O-]c1csc(N2C[C@@H]3CCC[C@H]32)n1 575574980 352748913 /nfs/dbraw/zinc/74/89/13/352748913.db2.gz NMZKRKTVIKBNHP-NKWVEPMBSA-N -1 3 196.275 1.837 10 0 ADAEHM [O-]c1csc(N2C[C@H]3CCC[C@@H]32)n1 575574984 352748925 /nfs/dbraw/zinc/74/89/25/352748925.db2.gz NMZKRKTVIKBNHP-RQJHMYQMSA-N -1 3 196.275 1.837 10 0 ADAEHM Cn1cncc1-c1ccc(=S)[n-]n1 575575054 352749664 /nfs/dbraw/zinc/74/96/64/352749664.db2.gz XGPKOTBNVFATIV-UHFFFAOYSA-N -1 3 192.247 1.166 10 0 ADAEHM Cc1csc(-c2cc(C=O)[n-]n2)n1 575575625 352752252 /nfs/dbraw/zinc/75/22/52/352752252.db2.gz CLCIOVMSSONGHN-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM Cc1csc(-c2cc(C=O)n[n-]2)n1 575575625 352752254 /nfs/dbraw/zinc/75/22/54/352752254.db2.gz CLCIOVMSSONGHN-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM O=c1[n-]nc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 575576256 352755693 /nfs/dbraw/zinc/75/56/93/352755693.db2.gz JBURPQKSYUWHQP-FMCRUOTFSA-N -1 3 166.180 1.289 10 0 ADAEHM Cc1cc(-c2nc(Cl)n[n-]2)ccn1 575576324 352756266 /nfs/dbraw/zinc/75/62/66/352756266.db2.gz KNLSPBRTTWPSGR-UHFFFAOYSA-N -1 3 194.625 1.829 10 0 ADAEHM O=c1[n-]nc([C@]23CCCC[C@H]2C3)o1 575576453 352756620 /nfs/dbraw/zinc/75/66/20/352756620.db2.gz UZTTWDLOTXEXMZ-RCOVLWMOSA-N -1 3 180.207 1.607 10 0 ADAEHM O=c1[n-]nc([C@@]23CCCC[C@@H]2C3)o1 575576450 352756648 /nfs/dbraw/zinc/75/66/48/352756648.db2.gz UZTTWDLOTXEXMZ-HZGVNTEJSA-N -1 3 180.207 1.607 10 0 ADAEHM O=c1[n-]cncc1-c1cncs1 575576469 352756698 /nfs/dbraw/zinc/75/66/98/352756698.db2.gz WOHSLVLYCGKXLX-UHFFFAOYSA-N -1 3 179.204 1.306 10 0 ADAEHM CCc1n[n-]c(=S)c(C)c1C 575576485 352757056 /nfs/dbraw/zinc/75/70/56/352757056.db2.gz CULHEVNHYXEOIL-UHFFFAOYSA-N -1 3 168.265 1.945 10 0 ADAEHM O=c1nc(-c2cncs2)c(F)c[n-]1 575577189 352759600 /nfs/dbraw/zinc/75/96/00/352759600.db2.gz IFXBJMKVUXPBPF-UHFFFAOYSA-N -1 3 197.194 1.445 10 0 ADAEHM C[C@H]1C[C@@]1(C)Nc1cc(=O)[n-]cn1 575577735 352762699 /nfs/dbraw/zinc/76/26/99/352762699.db2.gz FCZKADYZCGEHDM-IMTBSYHQSA-N -1 3 179.223 1.393 10 0 ADAEHM C[C@@H]1C[C@]1(C)Nc1cc(=O)[n-]cn1 575577736 352762733 /nfs/dbraw/zinc/76/27/33/352762733.db2.gz FCZKADYZCGEHDM-MUWHJKNJSA-N -1 3 179.223 1.393 10 0 ADAEHM C[C@H]1C[C@]1(C)Nc1cc(=O)[n-]cn1 575577741 352763001 /nfs/dbraw/zinc/76/30/01/352763001.db2.gz FCZKADYZCGEHDM-RCOVLWMOSA-N -1 3 179.223 1.393 10 0 ADAEHM C[C@@H]1C[C@@]1(C)Nc1cc(=O)[n-]cn1 575577731 352763055 /nfs/dbraw/zinc/76/30/55/352763055.db2.gz FCZKADYZCGEHDM-HZGVNTEJSA-N -1 3 179.223 1.393 10 0 ADAEHM Cc1csc(-c2cnc(C=O)[n-]2)n1 575578750 352769415 /nfs/dbraw/zinc/76/94/15/352769415.db2.gz ZJGIGIJJCSQDEA-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM Cc1csc(-c2c[n-]c(C=O)n2)n1 575578750 352769416 /nfs/dbraw/zinc/76/94/16/352769416.db2.gz ZJGIGIJJCSQDEA-UHFFFAOYSA-N -1 3 193.231 1.654 10 0 ADAEHM Cc1nc(N[C@H](C)CF)cc(=O)[n-]1 575580786 352779447 /nfs/dbraw/zinc/77/94/47/352779447.db2.gz XCPAEXXEHBLVOU-RXMQYKEDSA-N -1 3 185.202 1.261 10 0 ADAEHM Cc1nc(N[C@@H](C)CF)cc(=O)[n-]1 575580787 352779473 /nfs/dbraw/zinc/77/94/73/352779473.db2.gz XCPAEXXEHBLVOU-YFKPBYRVSA-N -1 3 185.202 1.261 10 0 ADAEHM O=C([O-])/C=C/N1C[C@@H]2CCC[C@H]21 575581539 352782676 /nfs/dbraw/zinc/78/26/76/352782676.db2.gz SHOHYFKFBDQXJH-ODAVYXMRSA-N -1 3 167.208 1.069 10 0 ADAEHM O=C([O-])/C=C/N1C[C@@H]2CCC[C@@H]21 575581540 352782831 /nfs/dbraw/zinc/78/28/31/352782831.db2.gz SHOHYFKFBDQXJH-VEVSIANRSA-N -1 3 167.208 1.069 10 0 ADAEHM O=C([O-])/C=C/N1C[C@H]2CCC[C@@H]21 575581541 352782881 /nfs/dbraw/zinc/78/28/81/352782881.db2.gz SHOHYFKFBDQXJH-VWFQECGMSA-N -1 3 167.208 1.069 10 0 ADAEHM O=C([O-])/C=C/N1C[C@H]2CCC[C@H]21 575581538 352782983 /nfs/dbraw/zinc/78/29/83/352782983.db2.gz SHOHYFKFBDQXJH-IVZJMYDKSA-N -1 3 167.208 1.069 10 0 ADAEHM Cc1ncsc1-c1cc(=O)[n-]cn1 575582286 352787634 /nfs/dbraw/zinc/78/76/34/352787634.db2.gz GDUVNSSDCXXIGY-UHFFFAOYSA-N -1 3 193.231 1.614 10 0 ADAEHM O=c1[n-]nc([C@@]23CCC[C@@H]2C3)o1 575582549 352788305 /nfs/dbraw/zinc/78/83/05/352788305.db2.gz KYMXSJAUXGWFLX-SVGQVSJJSA-N -1 3 166.180 1.217 10 0 ADAEHM O=c1[n-]nc([C@]23CCC[C@H]2C3)o1 575582552 352788591 /nfs/dbraw/zinc/78/85/91/352788591.db2.gz KYMXSJAUXGWFLX-XNCJUZBTSA-N -1 3 166.180 1.217 10 0 ADAEHM O=c1[n-][nH]c(=S)n1C1(C2CC2)CC1 575584428 352796841 /nfs/dbraw/zinc/79/68/41/352796841.db2.gz CIBVDVOZLPOQEK-UHFFFAOYSA-N -1 3 197.263 1.172 10 0 ADAEHM C[C@H]1C[C@@]1(C)n1c(=O)[n-][nH]c1=S 575584493 352797465 /nfs/dbraw/zinc/79/74/65/352797465.db2.gz NWYQJNLDDAQUIW-MHTLYPKNSA-N -1 3 185.252 1.027 10 0 ADAEHM C[C@@H]1C[C@]1(C)n1c(=O)[n-][nH]c1=S 575584491 352797501 /nfs/dbraw/zinc/79/75/01/352797501.db2.gz NWYQJNLDDAQUIW-FBCQKBJTSA-N -1 3 185.252 1.027 10 0 ADAEHM C[C@H]1C[C@]1(C)n1c(=O)[n-][nH]c1=S 575584492 352797569 /nfs/dbraw/zinc/79/75/69/352797569.db2.gz NWYQJNLDDAQUIW-FFWSUHOLSA-N -1 3 185.252 1.027 10 0 ADAEHM C[C@@H]1C[C@@]1(C)n1c(=O)[n-][nH]c1=S 575584490 352797657 /nfs/dbraw/zinc/79/76/57/352797657.db2.gz NWYQJNLDDAQUIW-CLZZGJSISA-N -1 3 185.252 1.027 10 0 ADAEHM C1C[C@H](c2nnn[n-]2)C2(C1)CC2 575584665 352798271 /nfs/dbraw/zinc/79/82/71/352798271.db2.gz WORZFXXQIKSSMR-ZCFIWIBFSA-N -1 3 164.212 1.247 10 0 ADAEHM C1C[C@H](c2nn[n-]n2)C2(C1)CC2 575584665 352798274 /nfs/dbraw/zinc/79/82/74/352798274.db2.gz WORZFXXQIKSSMR-ZCFIWIBFSA-N -1 3 164.212 1.247 10 0 ADAEHM C1C[C@@H](c2nnn[n-]2)C2(C1)CC2 575584664 352798456 /nfs/dbraw/zinc/79/84/56/352798456.db2.gz WORZFXXQIKSSMR-LURJTMIESA-N -1 3 164.212 1.247 10 0 ADAEHM C1C[C@@H](c2nn[n-]n2)C2(C1)CC2 575584664 352798459 /nfs/dbraw/zinc/79/84/59/352798459.db2.gz WORZFXXQIKSSMR-LURJTMIESA-N -1 3 164.212 1.247 10 0 ADAEHM O=C([O-])/C=C/N1CCC12CCC2 575585404 352801743 /nfs/dbraw/zinc/80/17/43/352801743.db2.gz UTEKMIUFNLCSLG-QHHAFSJGSA-N -1 3 167.208 1.213 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2CC23CC3)n1 575585278 352801765 /nfs/dbraw/zinc/80/17/65/352801765.db2.gz CJXULUVDOFCLDM-SSDOTTSWSA-N -1 3 176.219 1.758 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2CC23CC3)n1 575585279 352801951 /nfs/dbraw/zinc/80/19/51/352801951.db2.gz CJXULUVDOFCLDM-ZETCQYMHSA-N -1 3 176.219 1.758 10 0 ADAEHM CC1CC(Cn2c(=O)[n-][nH]c2=S)C1 575585258 352801971 /nfs/dbraw/zinc/80/19/71/352801971.db2.gz BBJMRNLPDKOXFD-UHFFFAOYSA-N -1 3 199.279 1.319 10 0 ADAEHM CCC1CN(c2nc([O-])cs2)C1 575585416 352802087 /nfs/dbraw/zinc/80/20/87/352802087.db2.gz YEDHWZVALVWSTO-UHFFFAOYSA-N -1 3 184.264 1.695 10 0 ADAEHM CC1(C)C[C@]1(C)n1c(=O)[n-][nH]c1=S 575587354 352811789 /nfs/dbraw/zinc/81/17/89/352811789.db2.gz YGABSWDWFCBWHU-QMMMGPOBSA-N -1 3 199.279 1.418 10 0 ADAEHM CCc1nc[n-]c(=O)c1C(C)C 575587285 352811868 /nfs/dbraw/zinc/81/18/68/352811868.db2.gz IIVQSFFRQMZAEM-UHFFFAOYSA-N -1 3 166.224 1.868 10 0 ADAEHM C[C@H]1CCN1c1nc([O-])cs1 575587284 352811900 /nfs/dbraw/zinc/81/19/00/352811900.db2.gz HMZWQINUXJVWKZ-YFKPBYRVSA-N -1 3 170.237 1.447 10 0 ADAEHM C[C@@H]1CCN1c1nc([O-])cs1 575587279 352811914 /nfs/dbraw/zinc/81/19/14/352811914.db2.gz HMZWQINUXJVWKZ-RXMQYKEDSA-N -1 3 170.237 1.447 10 0 ADAEHM CC1(C)C[C@@]1(C)n1c(=O)[n-][nH]c1=S 575587353 352811960 /nfs/dbraw/zinc/81/19/60/352811960.db2.gz YGABSWDWFCBWHU-MRVPVSSYSA-N -1 3 199.279 1.418 10 0 ADAEHM C[C@H](n1c(=O)[n-][nH]c1=S)C1(C)CC1 575587320 352812193 /nfs/dbraw/zinc/81/21/93/352812193.db2.gz NYDZKWMSOWVMBE-YFKPBYRVSA-N -1 3 199.279 1.634 10 0 ADAEHM [O-]c1cccnc1-c1cncs1 575587689 352813400 /nfs/dbraw/zinc/81/34/00/352813400.db2.gz IDLDFXWJMIACAQ-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM C1C[C@H](c2nnn[n-]2)[C@H]2C[C@H]2C1 575587687 352813405 /nfs/dbraw/zinc/81/34/05/352813405.db2.gz HZCJKVTUUJAJTH-VQVTYTSYSA-N -1 3 164.212 1.103 10 0 ADAEHM C1C[C@H](c2nn[n-]n2)[C@H]2C[C@H]2C1 575587687 352813408 /nfs/dbraw/zinc/81/34/08/352813408.db2.gz HZCJKVTUUJAJTH-VQVTYTSYSA-N -1 3 164.212 1.103 10 0 ADAEHM C1C[C@@H]2C[C@@H]2[C@H](c2nnn[n-]2)C1 575587685 352813444 /nfs/dbraw/zinc/81/34/44/352813444.db2.gz HZCJKVTUUJAJTH-QYNIQEEDSA-N -1 3 164.212 1.103 10 0 ADAEHM C1C[C@@H]2C[C@@H]2[C@H](c2nn[n-]n2)C1 575587685 352813447 /nfs/dbraw/zinc/81/34/47/352813447.db2.gz HZCJKVTUUJAJTH-QYNIQEEDSA-N -1 3 164.212 1.103 10 0 ADAEHM Cn1cncc1-c1cncc([O-])c1 575588199 352816877 /nfs/dbraw/zinc/81/68/77/352816877.db2.gz MVQILRUNSOFUNI-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM CC(C)C1(c2n[n-]c(=O)o2)CC1 575588378 352817519 /nfs/dbraw/zinc/81/75/19/352817519.db2.gz NSJBKFUJWPYMFI-UHFFFAOYSA-N -1 3 168.196 1.463 10 0 ADAEHM Cn1cncc1-c1ncccc1[O-] 575588395 352817533 /nfs/dbraw/zinc/81/75/33/352817533.db2.gz WAUIXNQSWAWPQE-UHFFFAOYSA-N -1 3 175.191 1.188 10 0 ADAEHM CC(C)C1(c2n[nH]c(=S)[n-]2)CC1 575588321 352817821 /nfs/dbraw/zinc/81/78/21/352817821.db2.gz LGWDHUPQFVHKRB-UHFFFAOYSA-N -1 3 183.280 1.781 10 0 ADAEHM CC1(C)CN(/C=C/C(=O)[O-])C1(C)C 575590912 352829661 /nfs/dbraw/zinc/82/96/61/352829661.db2.gz TZACHDHJCKWFJE-AATRIKPKSA-N -1 3 183.251 1.705 10 0 ADAEHM O=C([O-])/C=C/N1C[C@H]2CCCC[C@@H]21 575591028 352830340 /nfs/dbraw/zinc/83/03/40/352830340.db2.gz JJCHKIQGQXIABY-RKWMXMRGSA-N -1 3 181.235 1.459 10 0 ADAEHM O=C([O-])/C=C/N1C[C@@H]2CCCC[C@H]21 575591030 352830391 /nfs/dbraw/zinc/83/03/91/352830391.db2.gz JJCHKIQGQXIABY-VFPASMGPSA-N -1 3 181.235 1.459 10 0 ADAEHM O=C([O-])/C=C/N1C[C@@H]2CCCC[C@@H]21 575591027 352830429 /nfs/dbraw/zinc/83/04/29/352830429.db2.gz JJCHKIQGQXIABY-MUNZNRDXSA-N -1 3 181.235 1.459 10 0 ADAEHM O=C([O-])/C=C/N1C[C@H]2CCCC[C@H]21 575591026 352830630 /nfs/dbraw/zinc/83/06/30/352830630.db2.gz JJCHKIQGQXIABY-JKKBLNIGSA-N -1 3 181.235 1.459 10 0 ADAEHM C[C@@H]1CN(c2nc([O-])cs2)[C@@H]1C 575592684 352838963 /nfs/dbraw/zinc/83/89/63/352838963.db2.gz DJQZREXOKXBQTK-PHDIDXHHSA-N -1 3 184.264 1.693 10 0 ADAEHM C[C@H]1CN(c2nc([O-])cs2)[C@@H]1C 575592683 352839232 /nfs/dbraw/zinc/83/92/32/352839232.db2.gz DJQZREXOKXBQTK-NTSWFWBYSA-N -1 3 184.264 1.693 10 0 ADAEHM C[C@H]1CN(c2nc([O-])cs2)[C@H]1C 575592694 352839409 /nfs/dbraw/zinc/83/94/09/352839409.db2.gz DJQZREXOKXBQTK-WDSKDSINSA-N -1 3 184.264 1.693 10 0 ADAEHM CC1(C)CCN1c1nc([O-])cs1 575592682 352839441 /nfs/dbraw/zinc/83/94/41/352839441.db2.gz CMIMAMZQFLFINP-UHFFFAOYSA-N -1 3 184.264 1.837 10 0 ADAEHM C[C@H]1[C@H](C)CN1c1nc([O-])cs1 575592685 352839471 /nfs/dbraw/zinc/83/94/71/352839471.db2.gz DJQZREXOKXBQTK-RITPCOANSA-N -1 3 184.264 1.693 10 0 ADAEHM Cc1ccc(C(=O)[N-]C#N)c(Cl)n1 575599954 352862826 /nfs/dbraw/zinc/86/28/26/352862826.db2.gz ALGRBWDUQKTMQD-UHFFFAOYSA-N -1 3 195.609 1.254 10 0 ADAEHM O=c1cc(CC2CCC2)[n-][nH]1 575600996 352863967 /nfs/dbraw/zinc/86/39/67/352863967.db2.gz CUFHCCRWZLFMTP-UHFFFAOYSA-N -1 3 152.197 1.458 10 0 ADAEHM COCCCCc1cc(=O)[nH][n-]1 575600991 352864066 /nfs/dbraw/zinc/86/40/66/352864066.db2.gz COPWICGABIIKOF-UHFFFAOYSA-N -1 3 170.212 1.084 10 0 ADAEHM O=c1cc(CC2CCOCC2)[n-][nH]1 575601037 352864154 /nfs/dbraw/zinc/86/41/54/352864154.db2.gz GXXZPGWYGJQHCL-UHFFFAOYSA-N -1 3 182.223 1.084 10 0 ADAEHM O=c1cc(CC2CCCC2)[n-][nH]1 575601234 352864192 /nfs/dbraw/zinc/86/41/92/352864192.db2.gz RERZVKJXDYBEJE-UHFFFAOYSA-N -1 3 166.224 1.848 10 0 ADAEHM CC1CC(Cc2cc(=O)[nH][n-]2)C1 575601045 352864335 /nfs/dbraw/zinc/86/43/35/352864335.db2.gz HRXULYSEPVERFV-UHFFFAOYSA-N -1 3 166.224 1.704 10 0 ADAEHM O=c1cc(CC2CC2)[n-][nH]1 575601200 352864366 /nfs/dbraw/zinc/86/43/66/352864366.db2.gz OEQVBZKDAJELSD-UHFFFAOYSA-N -1 3 138.170 1.068 10 0 ADAEHM COC(=O)c1c(C)cc([O-])cc1N 575639624 352869492 /nfs/dbraw/zinc/86/94/92/352869492.db2.gz JRVVBVSBFPZJLY-UHFFFAOYSA-N -1 3 181.191 1.069 10 0 ADAEHM N#Cc1cc(C(F)F)cc(CO)c1[O-] 575642394 352870126 /nfs/dbraw/zinc/87/01/26/352870126.db2.gz AVGLUYZVEPYKAZ-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM CCOc1cc([O-])cc(C#N)c1CO 575643081 352870826 /nfs/dbraw/zinc/87/08/26/352870826.db2.gz CKUCVJMEUNVEQS-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc(C#N)c(OC)cc1[O-] 575643195 352870902 /nfs/dbraw/zinc/87/09/02/352870902.db2.gz DFQMWWUFDPPDPN-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM N#Cc1cc([O-])cc(CO)c1C(F)F 575643117 352870907 /nfs/dbraw/zinc/87/09/07/352870907.db2.gz NAGANYRJEHTYLE-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM N#Cc1cc([O-])cc(C(F)F)c1CO 575642791 352870910 /nfs/dbraw/zinc/87/09/10/352870910.db2.gz JKCHZVIEAMTUQH-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM CCOc1ccc(CO)c(C#N)c1[O-] 575643178 352870917 /nfs/dbraw/zinc/87/09/17/352870917.db2.gz DCZNXTKRSQTSHO-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1c([O-])cc(C#N)cc1OC 575642961 352870932 /nfs/dbraw/zinc/87/09/32/352870932.db2.gz BCHCCNIPXVOJOD-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1c(C#N)cc([O-])cc1C=O 575642977 352870937 /nfs/dbraw/zinc/87/09/37/352870937.db2.gz BQURGGALKPGQRN-UHFFFAOYSA-N -1 3 191.186 1.475 10 0 ADAEHM N#Cc1cc([O-])c(CO)cc1C(F)F 575643072 352870948 /nfs/dbraw/zinc/87/09/48/352870948.db2.gz MJIQKFFCGPSPKN-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM N#Cc1cc([O-])c(CO)c(C(F)F)c1 575642565 352870957 /nfs/dbraw/zinc/87/09/57/352870957.db2.gz DJYJSBJLTVQWPO-UHFFFAOYSA-N -1 3 199.156 1.694 10 0 ADAEHM CCOc1cc(C#N)c(CO)cc1[O-] 575643522 352871521 /nfs/dbraw/zinc/87/15/21/352871521.db2.gz HCCPSDQNIBNGFQ-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc(CO)cc([O-])c1C#N 575643355 352871555 /nfs/dbraw/zinc/87/15/55/352871555.db2.gz FHIQYLHFPBDAQA-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1c([O-])ccc(CO)c1C#N 575643654 352871621 /nfs/dbraw/zinc/87/16/21/352871621.db2.gz IJHAVLKXRAVYEX-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc(C#N)cc([O-])c1CO 575643605 352871705 /nfs/dbraw/zinc/87/17/05/352871705.db2.gz HXPDRSGAXGBBHX-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCc1c([O-])cc(C#N)cc1C=O 575644235 352871973 /nfs/dbraw/zinc/87/19/73/352871973.db2.gz DHZGLEVZHXUCDL-UHFFFAOYSA-N -1 3 175.187 1.639 10 0 ADAEHM CCOc1c(CO)ccc([O-])c1C#N 575644030 352871992 /nfs/dbraw/zinc/87/19/92/352871992.db2.gz KFQUHXLNNKITQI-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM COc1c(F)cc([O-])cc1C#N 575644406 352872168 /nfs/dbraw/zinc/87/21/68/352872168.db2.gz AHXFNHVCQARGGQ-UHFFFAOYSA-N -1 3 167.139 1.412 10 0 ADAEHM CCOc1c([O-])ccc(C#N)c1CO 575644319 352872331 /nfs/dbraw/zinc/87/23/31/352872331.db2.gz MCBMNHSTTWRQEA-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc(C#N)c([O-])c(CO)c1 575644125 352872352 /nfs/dbraw/zinc/87/23/52/352872352.db2.gz KRJLFYOKHSRBKI-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1c(CO)ccc(C#N)c1[O-] 575644384 352872541 /nfs/dbraw/zinc/87/25/41/352872541.db2.gz MOUSHOQHHAQRPQ-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc([O-])c(CO)c(C#N)c1 575643950 352872569 /nfs/dbraw/zinc/87/25/69/352872569.db2.gz JPKSZFHSJRYPKC-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCc1c([O-])cc(OC)cc1C#N 575644941 352873205 /nfs/dbraw/zinc/87/32/05/352873205.db2.gz FJDRBNDZVDDZBC-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCOc1c(C#N)cc([O-])cc1CO 575644506 352873240 /nfs/dbraw/zinc/87/32/40/352873240.db2.gz NODXMVJHOBOFMJ-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCc1cc(OC)cc([O-])c1C#N 575645010 352873597 /nfs/dbraw/zinc/87/35/97/352873597.db2.gz FVQJFXAYQVLBFZ-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCOc1c(C#N)ccc(OC)c1[O-] 575645302 352873744 /nfs/dbraw/zinc/87/37/44/352873744.db2.gz ODIJKZBMDCAWBN-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1cc([O-])cc(C#N)c1OC 575645668 352874289 /nfs/dbraw/zinc/87/42/89/352874289.db2.gz ROLBSQJJVXOHTK-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1c([O-])cc(CO)cc1C#N 575645714 352874315 /nfs/dbraw/zinc/87/43/15/352874315.db2.gz SDBVICAWHNCLSR-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc([O-])c(OC)cc1C#N 575645558 352874332 /nfs/dbraw/zinc/87/43/32/352874332.db2.gz QRYWRMVXGARLHC-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1c(C#N)ccc([O-])c1CO 575645700 352874341 /nfs/dbraw/zinc/87/43/41/352874341.db2.gz RURFTZYCVJYYOZ-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1c([O-])cc(C=O)cc1C#N 575645818 352874370 /nfs/dbraw/zinc/87/43/70/352874370.db2.gz SRWXZHZSESNLTI-UHFFFAOYSA-N -1 3 191.186 1.475 10 0 ADAEHM CCOc1ccc(CO)c([O-])c1C#N 575645604 352874382 /nfs/dbraw/zinc/87/43/82/352874382.db2.gz RCVHTSYEDBRXGG-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1ccc([O-])c(C#N)c1CO 575645565 352874463 /nfs/dbraw/zinc/87/44/63/352874463.db2.gz QTJXVJNCINNXAF-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1cc([O-])c(C#N)cc1OC 575645378 352874504 /nfs/dbraw/zinc/87/45/04/352874504.db2.gz ONKADODKODOSPG-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1cc([O-])c(CO)cc1C#N 575645693 352874523 /nfs/dbraw/zinc/87/45/23/352874523.db2.gz RULNYRAXWXWQFT-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCOc1c([O-])cc(OC)cc1C#N 575646048 352875050 /nfs/dbraw/zinc/87/50/50/352875050.db2.gz UJFRJSFVTAGSAB-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1cc(C#N)c([O-])cc1C=O 575646270 352875116 /nfs/dbraw/zinc/87/51/16/352875116.db2.gz USYWWQNSGJGZLX-UHFFFAOYSA-N -1 3 191.186 1.475 10 0 ADAEHM CCOc1cc(C#N)c([O-])cc1CO 575646526 352875559 /nfs/dbraw/zinc/87/55/59/352875559.db2.gz VUYZJTPLPJESMI-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCc1cc(C#N)cc(OC)c1[O-] 575646477 352875602 /nfs/dbraw/zinc/87/56/02/352875602.db2.gz OBKOSTKKCBALGG-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCc1cc([O-])c(OC)cc1C#N 575646500 352875733 /nfs/dbraw/zinc/87/57/33/352875733.db2.gz OCVQWFDOTUTNFF-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCc1cc([O-])c(C#N)cc1OC 575646705 352875772 /nfs/dbraw/zinc/87/57/72/352875772.db2.gz PHTRTDVADLBVSR-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCOc1cc([O-])c(C#N)c(OC)c1 575647156 352876291 /nfs/dbraw/zinc/87/62/91/352876291.db2.gz YLTLWVDIWRIQEJ-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1c([O-])cc(C#N)cc1C=O 575646979 352876314 /nfs/dbraw/zinc/87/63/14/352876314.db2.gz XJSAVIIXGTYNDA-UHFFFAOYSA-N -1 3 191.186 1.475 10 0 ADAEHM CCOc1c([O-])cc(C#N)cc1CO 575647056 352876353 /nfs/dbraw/zinc/87/63/53/352876353.db2.gz XSSYXHPRQBZTPH-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCc1cc(C#N)c(OC)cc1[O-] 575647243 352876373 /nfs/dbraw/zinc/87/63/73/352876373.db2.gz QPTRCOXFEQDZRI-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCOc1cc(C#N)c([O-])cc1OC 575647210 352876453 /nfs/dbraw/zinc/87/64/53/352876453.db2.gz ZHKYMQJQKBUZLX-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1c(C#N)cc([O-])cc1OC 575647176 352876543 /nfs/dbraw/zinc/87/65/43/352876543.db2.gz YXZBKKPBHFMDMQ-UHFFFAOYSA-N -1 3 193.202 1.671 10 0 ADAEHM CCOc1cc(CO)cc(C#N)c1[O-] 575647155 352876569 /nfs/dbraw/zinc/87/65/69/352876569.db2.gz YIUKTPWOFXVFBJ-UHFFFAOYSA-N -1 3 193.202 1.155 10 0 ADAEHM CCc1c(C#N)cc([O-])cc1OC 575647440 352877100 /nfs/dbraw/zinc/87/71/00/352877100.db2.gz UDMAPTFSIQAWJJ-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCc1c([O-])cc(C#N)cc1OC 575647394 352877171 /nfs/dbraw/zinc/87/71/71/352877171.db2.gz SWODUQJNMVCXPY-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCc1c([O-])cc(C=O)cc1C#N 575647272 352877182 /nfs/dbraw/zinc/87/71/82/352877182.db2.gz RHEVVMCWSNITFW-UHFFFAOYSA-N -1 3 175.187 1.639 10 0 ADAEHM CCc1cc([O-])c(C#N)c(OC)c1 575647344 352877199 /nfs/dbraw/zinc/87/71/99/352877199.db2.gz SENSIAPDXFMTCA-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCc1cc(OC)cc(C#N)c1[O-] 575648659 352878113 /nfs/dbraw/zinc/87/81/13/352878113.db2.gz XVQSRJLKUNUGBB-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCc1c(C#N)cc([O-])cc1C=O 575648612 352878306 /nfs/dbraw/zinc/87/83/06/352878306.db2.gz XAACOQAORFYPBW-UHFFFAOYSA-N -1 3 175.187 1.639 10 0 ADAEHM CCc1cc(C#N)cc([O-])c1OC 575648768 352878984 /nfs/dbraw/zinc/87/89/84/352878984.db2.gz ZQOLDYBNHJMVNC-UHFFFAOYSA-N -1 3 177.203 1.835 10 0 ADAEHM CCOc1c([O-])cc(F)cc1C(N)=O 575694483 352886982 /nfs/dbraw/zinc/88/69/82/352886982.db2.gz CZGQBZRTQJKCEX-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CCOc1cc([O-])cc(C(N)=O)c1F 575695409 352887254 /nfs/dbraw/zinc/88/72/54/352887254.db2.gz ICKMQOFMBOMIIT-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CCOc1cc(F)cc(C(N)=O)c1[O-] 575695506 352887529 /nfs/dbraw/zinc/88/75/29/352887529.db2.gz JLTYUECMMMNTJS-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CCOc1cc(C(N)=O)c(F)cc1[O-] 575696375 352888165 /nfs/dbraw/zinc/88/81/65/352888165.db2.gz MQSLMIDUEFTABR-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CCOc1c(F)cc([O-])cc1C(N)=O 575696317 352888191 /nfs/dbraw/zinc/88/81/91/352888191.db2.gz LSCNXEYFRLOGAF-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CCOc1cc(F)c([O-])cc1C(N)=O 575697463 352889757 /nfs/dbraw/zinc/88/97/57/352889757.db2.gz WLEHXJZMZZALPR-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CCOc1cc(C(N)=O)cc(F)c1[O-] 575697521 352889765 /nfs/dbraw/zinc/88/97/65/352889765.db2.gz XRNFOPVBRLFTAD-UHFFFAOYSA-N -1 3 199.181 1.029 10 0 ADAEHM CSc1c(CO)ccc(F)c1[O-] 575702165 352890490 /nfs/dbraw/zinc/89/04/90/352890490.db2.gz BNJYLWGQGLATSE-UHFFFAOYSA-N -1 3 188.223 1.746 10 0 ADAEHM CSc1cc(CO)cc([O-])c1F 575703979 352891208 /nfs/dbraw/zinc/89/12/08/352891208.db2.gz RVISGLJMAVMHNQ-UHFFFAOYSA-N -1 3 188.223 1.746 10 0 ADAEHM COC(=O)Cc1cc(F)cc([O-])c1C 575713865 352892569 /nfs/dbraw/zinc/89/25/69/352892569.db2.gz ILEZWBKHPSRWGS-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1c(C)cc([O-])cc1F 575713944 352892626 /nfs/dbraw/zinc/89/26/26/352892626.db2.gz MGUKCRNXONWXSR-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1cc(C)c(F)cc1[O-] 575713942 352892682 /nfs/dbraw/zinc/89/26/82/352892682.db2.gz MDEHHQAFSXUNBB-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)c1c(C)cc(F)cc1[O-] 575713939 352892717 /nfs/dbraw/zinc/89/27/17/352892717.db2.gz LZORYLPTKSQJLL-UHFFFAOYSA-N -1 3 184.166 1.626 10 0 ADAEHM COC(=O)Cc1c([O-])cc(C)cc1F 575713930 352892802 /nfs/dbraw/zinc/89/28/02/352892802.db2.gz LMDYFWZATFUNHE-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM CC(=O)c1cc([O-])cc(N)c1Cl 575715548 352893457 /nfs/dbraw/zinc/89/34/57/352893457.db2.gz JTXKPRFHEBXFTO-UHFFFAOYSA-N -1 3 185.610 1.830 10 0 ADAEHM COC(=O)Cc1cc([O-])cc(F)c1C 575714913 352893506 /nfs/dbraw/zinc/89/35/06/352893506.db2.gz ZYHDUOWUAQCLEW-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM COC(=O)Cc1c(C)ccc([O-])c1F 575714262 352893556 /nfs/dbraw/zinc/89/35/56/352893556.db2.gz NONHQVYTQSMOCR-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM CC(=O)c1c(N)cc(Cl)cc1[O-] 575715565 352893621 /nfs/dbraw/zinc/89/36/21/352893621.db2.gz KDHWSRUMFJILRQ-UHFFFAOYSA-N -1 3 185.610 1.830 10 0 ADAEHM COC(=O)Cc1c(C)cc(F)cc1[O-] 575714902 352893637 /nfs/dbraw/zinc/89/36/37/352893637.db2.gz ZTHFCZYVURNBAZ-UHFFFAOYSA-N -1 3 198.193 1.555 10 0 ADAEHM CC(=O)c1c([O-])cc(N)cc1Cl 575715810 352894054 /nfs/dbraw/zinc/89/40/54/352894054.db2.gz RXSIEFGXZUQZBY-UHFFFAOYSA-N -1 3 185.610 1.830 10 0 ADAEHM CC(=O)c1cc(N)cc(Cl)c1[O-] 575715857 352894285 /nfs/dbraw/zinc/89/42/85/352894285.db2.gz VIJRRXJQTJAQIY-UHFFFAOYSA-N -1 3 185.610 1.830 10 0 ADAEHM CC(=O)c1cc(Cl)cc([O-])c1N 575715725 352894402 /nfs/dbraw/zinc/89/44/02/352894402.db2.gz OVWYIHUZZBHQKH-UHFFFAOYSA-N -1 3 185.610 1.830 10 0 ADAEHM CC(=O)c1cc([O-])cc(N)c1F 575717881 352896729 /nfs/dbraw/zinc/89/67/29/352896729.db2.gz DCMQYCVBLDMGHM-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM CC(=O)c1c([O-])cc(N)cc1F 575717963 352896808 /nfs/dbraw/zinc/89/68/08/352896808.db2.gz DYADFQWEHPSGMC-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM CC(=O)c1cc([O-])cc(F)c1N 575718386 352897956 /nfs/dbraw/zinc/89/79/56/352897956.db2.gz KPATYJPOCVOOOM-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM CC(=O)c1c(N)cc(F)cc1[O-] 575718619 352898726 /nfs/dbraw/zinc/89/87/26/352898726.db2.gz MMOUHGBKTFLUPA-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM COc1cc(C(C)=O)c(N)cc1[O-] 575718946 352899288 /nfs/dbraw/zinc/89/92/88/352899288.db2.gz MLPUGANCKJOTTL-UHFFFAOYSA-N -1 3 181.191 1.186 10 0 ADAEHM CC(=O)c1cc(F)cc([O-])c1N 575719279 352900021 /nfs/dbraw/zinc/90/00/21/352900021.db2.gz ZTKKOXZOSHEPHL-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM CC(=O)c1cc(N)cc([O-])c1F 575719231 352900125 /nfs/dbraw/zinc/90/01/25/352900125.db2.gz XXZANYDGHDZHQP-UHFFFAOYSA-N -1 3 169.155 1.316 10 0 ADAEHM COc1cc([O-])cc(N)c1C(C)=O 575719196 352900154 /nfs/dbraw/zinc/90/01/54/352900154.db2.gz PFIVAVKDIONCNT-UHFFFAOYSA-N -1 3 181.191 1.186 10 0 ADAEHM COc1ccc(Cl)c([O-])c1N 575719931 352900481 /nfs/dbraw/zinc/90/04/81/352900481.db2.gz BLLYESZDWCUPOH-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM COc1cc([O-])c(N)cc1C(C)=O 575719510 352900582 /nfs/dbraw/zinc/90/05/82/352900582.db2.gz UTVXMZKERNBOET-UHFFFAOYSA-N -1 3 181.191 1.186 10 0 ADAEHM COc1cc(Cl)c([O-])cc1N 575719927 352900737 /nfs/dbraw/zinc/90/07/37/352900737.db2.gz BFUMPWYMLKRAPG-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM COc1cc(N)c(Cl)c([O-])c1 575720624 352901043 /nfs/dbraw/zinc/90/10/43/352901043.db2.gz PUZSVKYVKXYTTC-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM COc1c(N)ccc(Cl)c1[O-] 575720510 352901153 /nfs/dbraw/zinc/90/11/53/352901153.db2.gz NEENLBWYLLDGAP-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM COc1ccc([O-])c(Cl)c1N 575720365 352901338 /nfs/dbraw/zinc/90/13/38/352901338.db2.gz LMQFUSULLUDMOZ-UHFFFAOYSA-N -1 3 173.599 1.636 10 0 ADAEHM Nc1cc(N)c(C(F)(F)F)c([O-])c1 575720980 352901404 /nfs/dbraw/zinc/90/14/04/352901404.db2.gz FDEIHSSXUCBENG-UHFFFAOYSA-N -1 3 192.140 1.575 10 0 ADAEHM Nc1c(Cl)ccc(F)c1[O-] 575722263 352901818 /nfs/dbraw/zinc/90/18/18/352901818.db2.gz KAEVKWKLINCPHZ-UHFFFAOYSA-N -1 3 161.563 1.767 10 0 ADAEHM Nc1c([O-])cc(F)cc1Cl 575721950 352902028 /nfs/dbraw/zinc/90/20/28/352902028.db2.gz AZVXKGVZPCDEPD-UHFFFAOYSA-N -1 3 161.563 1.767 10 0 ADAEHM Nc1cc([O-])cc(F)c1Cl 575722798 352902522 /nfs/dbraw/zinc/90/25/22/352902522.db2.gz UMQAAOXVHLOTBR-UHFFFAOYSA-N -1 3 161.563 1.767 10 0 ADAEHM CCOC(=O)c1c(C)cc([O-])cc1N 575724516 352903512 /nfs/dbraw/zinc/90/35/12/352903512.db2.gz GPNDKXVQHRNQML-UHFFFAOYSA-N -1 3 195.218 1.460 10 0 ADAEHM CCOC(=O)c1cc(F)cc([O-])c1N 575724703 352903548 /nfs/dbraw/zinc/90/35/48/352903548.db2.gz QKJPBNKDPGNNQP-UHFFFAOYSA-N -1 3 199.181 1.290 10 0 ADAEHM Cc1cc(N)c(F)c([O-])c1 575726513 352904343 /nfs/dbraw/zinc/90/43/43/352904343.db2.gz QTGVKULSZRDXEM-UHFFFAOYSA-N -1 3 141.145 1.422 10 0 ADAEHM Cc1cc(N)cc([O-])c1F 575727048 352904445 /nfs/dbraw/zinc/90/44/45/352904445.db2.gz WIIGQAPMEDAKRM-UHFFFAOYSA-N -1 3 141.145 1.422 10 0 ADAEHM CC[C@@H](C)c1nc(C)c(C)c(=O)[n-]1 51690382 371636656 /nfs/dbraw/zinc/63/66/56/371636656.db2.gz AYJSBAXXWFXDDI-ZCFIWIBFSA-N -1 3 180.251 1.900 10 0 ADAEHM CC[C@H](C)c1nc(C)c(C)c(=O)[n-]1 51690383 371637156 /nfs/dbraw/zinc/63/71/56/371637156.db2.gz AYJSBAXXWFXDDI-LURJTMIESA-N -1 3 180.251 1.900 10 0 ADAEHM [O-]c1ccc2c(c1)N=NC2 59269069 371637656 /nfs/dbraw/zinc/63/76/56/371637656.db2.gz ZCDNPYBRUBPFMW-UHFFFAOYSA-N -1 3 134.138 1.990 10 0 ADAEHM O=c1cc(Cl)[n-]c2ncccc12 198674635 371698467 /nfs/dbraw/zinc/69/84/67/371698467.db2.gz JOYXFUAMADGZBZ-UHFFFAOYSA-N -1 3 180.594 1.577 10 0 ADAEHM CCOC(=O)Cc1cccc([O-])c1F 221157947 371716011 /nfs/dbraw/zinc/71/60/11/371716011.db2.gz JLNRHLMOFFJZMT-UHFFFAOYSA-N -1 3 198.193 1.637 10 0 ADAEHM Cn1nc(CC(C)(F)F)[n-]c1=S 306464371 371755759 /nfs/dbraw/zinc/75/57/59/371755759.db2.gz IFHOYQZRPAXBAL-UHFFFAOYSA-N -1 3 193.222 1.302 10 0 ADAEHM [O-]C(O)(CC(F)(F)F)C(F)(F)F 498036758 371816685 /nfs/dbraw/zinc/81/66/85/371816685.db2.gz VTWOEWWPTCRJEC-UHFFFAOYSA-N -1 3 198.062 1.182 10 0 ADAEHM CC1(C)C[C@@]1(C)c1nccc(=O)[n-]1 575566706 371830760 /nfs/dbraw/zinc/83/07/60/371830760.db2.gz RERZDCSWXPFVDU-JTQLQIEISA-N -1 3 178.235 1.870 10 0 ADAEHM CC1(C)C[C@]1(C)c1nccc(=O)[n-]1 575566710 371830932 /nfs/dbraw/zinc/83/09/32/371830932.db2.gz RERZDCSWXPFVDU-SNVBAGLBSA-N -1 3 178.235 1.870 10 0 ADAEHM CSc1cc([O-])c(F)cc1CO 575703488 371834658 /nfs/dbraw/zinc/83/46/58/371834658.db2.gz NEYSWHKGQZLGFU-UHFFFAOYSA-N -1 3 188.223 1.746 10 0 ADAEHM CSc1c(F)ccc(CO)c1[O-] 575703401 371834801 /nfs/dbraw/zinc/83/48/01/371834801.db2.gz MTTNRVVQXBQYDQ-UHFFFAOYSA-N -1 3 188.223 1.746 10 0 ADAEHM CSc1cc(CO)cc(F)c1[O-] 575703410 371835006 /nfs/dbraw/zinc/83/50/06/371835006.db2.gz MZFIOMHYLUYQNS-UHFFFAOYSA-N -1 3 188.223 1.746 10 0 ADAEHM CCC(CC)c1nc(C)cc(=O)[n-]1 51690363 375301744 /nfs/dbraw/zinc/30/17/44/375301744.db2.gz XNQZEEJYQPGTIQ-UHFFFAOYSA-N -1 3 180.251 1.982 10 0 ADAEHM C[C@@H]1C[C@@H]1NC(=O)c1cccc([O-])c1 52293340 375301809 /nfs/dbraw/zinc/30/18/09/375301809.db2.gz YTFPWELMJJOCIA-XCBNKYQSSA-N -1 3 191.230 1.530 10 0 ADAEHM CC[C@@H](C)c1nc(C)cc(=O)[n-]1 51690361 375301973 /nfs/dbraw/zinc/30/19/73/375301973.db2.gz QRHHTOYZODMLIU-ZCFIWIBFSA-N -1 3 166.224 1.592 10 0 ADAEHM C[C@H]1C[C@H]1NC(=O)c1cccc([O-])c1 52293348 375302297 /nfs/dbraw/zinc/30/22/97/375302297.db2.gz YTFPWELMJJOCIA-OIBJUYFYSA-N -1 3 191.230 1.530 10 0 ADAEHM C[C@H]1C[C@@H]1NC(=O)c1cccc([O-])c1 52293343 375302319 /nfs/dbraw/zinc/30/23/19/375302319.db2.gz YTFPWELMJJOCIA-XVKPBYJWSA-N -1 3 191.230 1.530 10 0 ADAEHM CC[C@H](C)c1nc(C)cc(=O)[n-]1 51690362 375302437 /nfs/dbraw/zinc/30/24/37/375302437.db2.gz QRHHTOYZODMLIU-LURJTMIESA-N -1 3 166.224 1.592 10 0 ADAEHM C[C@H]1C[C@@H]1NC(=O)c1ccccc1[O-] 52293332 375302555 /nfs/dbraw/zinc/30/25/55/375302555.db2.gz ICAMKMKJMFQQSB-CBAPKCEASA-N -1 3 191.230 1.530 10 0 ADAEHM C[C@@H]1C[C@@H]1NC(=O)c1ccccc1[O-] 52293330 375302624 /nfs/dbraw/zinc/30/26/24/375302624.db2.gz ICAMKMKJMFQQSB-APPZFPTMSA-N -1 3 191.230 1.530 10 0 ADAEHM C[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1 52293345 375302634 /nfs/dbraw/zinc/30/26/34/375302634.db2.gz YTFPWELMJJOCIA-GMSGAONNSA-N -1 3 191.230 1.530 10 0 ADAEHM C[C@H]1C[C@H]1NC(=O)c1ccccc1[O-] 52293337 375302686 /nfs/dbraw/zinc/30/26/86/375302686.db2.gz ICAMKMKJMFQQSB-IONNQARKSA-N -1 3 191.230 1.530 10 0 ADAEHM Cc1csc(-c2cn[n-]n2)n1 164684060 375398612 /nfs/dbraw/zinc/39/86/12/375398612.db2.gz KWKRTVVXAQAOBE-UHFFFAOYSA-N -1 3 166.209 1.237 10 0 ADAEHM CC[S@](=N)(=O)c1cccc([O-])c1 521399573 375540158 /nfs/dbraw/zinc/54/01/58/375540158.db2.gz ZLLHQFHEYQJEOQ-LBPRGKRZSA-N -1 3 185.248 1.818 10 0 ADAEHM CC[S@@](=N)(=O)c1cccc([O-])c1 521399572 375540332 /nfs/dbraw/zinc/54/03/32/375540332.db2.gz ZLLHQFHEYQJEOQ-GFCCVEGCSA-N -1 3 185.248 1.818 10 0 ADAEHM Cn1[n-]c(-c2ccns2)nc1=S 575470519 375549482 /nfs/dbraw/zinc/54/94/82/375549482.db2.gz AIQRKICSPSDPMR-UHFFFAOYSA-N -1 3 198.276 1.601 10 0 ADAEHM NC(=O)c1cc2c(cc1[O-])CCCC2 59687732 409398114 /nfs/dbraw/zinc/39/81/14/409398114.db2.gz YXOAVPJYJQXKNT-UHFFFAOYSA-N -1 3 191.230 1.370 10 0 ADAEHM O=C1OCCc2cc([O-])ccc21 104513265 409453812 /nfs/dbraw/zinc/45/38/12/409453812.db2.gz ZHSRGZMFYJPWDL-UHFFFAOYSA-N -1 3 164.160 1.105 10 0 ADAEHM C[C@@H](O)c1ccc([O-])c(C=O)c1 14454991 572004208 /nfs/dbraw/zinc/00/42/08/572004208.db2.gz KGRIQAYQWQDBQE-ZCFIWIBFSA-N -1 3 166.176 1.258 10 0 ADAEHM COC(=O)C(=C(C)[O-])c1ccco1 71498986 572156192 /nfs/dbraw/zinc/15/61/92/572156192.db2.gz KZIJWYLMGNPOJY-QMMMGPOBSA-N -1 3 182.175 1.125 10 0 ADAEHM CCC[C@@H](Nc1ccncc1)C(=O)[O-] 36838427 572071345 /nfs/dbraw/zinc/07/13/45/572071345.db2.gz NMBKEDTZUDJBEV-SECBINFHSA-N -1 3 194.234 1.747 10 0 ADAEHM COC(=O)C(=C(C)[O-])c1ccco1 71498988 572156155 /nfs/dbraw/zinc/15/61/55/572156155.db2.gz KZIJWYLMGNPOJY-MRVPVSSYSA-N -1 3 182.175 1.125 10 0 ADAEHM CCNc1cc(=O)[n-]c(C(C)C)n1 87909294 572996427 /nfs/dbraw/zinc/99/64/27/572996427.db2.gz QASUDVYZZHLIID-UHFFFAOYSA-N -1 3 181.239 1.325 10 0 ADAEHM O=c1cc[n-]c2c1CN=N2 72230689 572915984 /nfs/dbraw/zinc/91/59/84/572915984.db2.gz JPZJZNOXGTXNPI-UHFFFAOYSA-N -1 3 135.126 1.385 10 0 ADAEHM N[C@@H]1CCOc2cc(C(=O)[O-])ccc21 104530835 572996210 /nfs/dbraw/zinc/99/62/10/572996210.db2.gz FNENGAZBLZPVGV-MRVPVSSYSA-N -1 3 193.202 1.167 10 0 ADAEHM NCc1coc(-c2ccccc2[O-])n1 257921713 572996264 /nfs/dbraw/zinc/99/62/64/572996264.db2.gz DHQJMAPXJNCJLE-UHFFFAOYSA-N -1 3 190.202 1.506 10 0 ADAEHM CCCNc1cc(=O)[n-]c(C2CC2)n1 87909290 572996305 /nfs/dbraw/zinc/99/63/05/572996305.db2.gz CCLAMUYDMBJUSL-UHFFFAOYSA-N -1 3 193.250 1.469 10 0 ADAEHM CCNc1nc(C2CC2)[n-]c(=O)c1C 87918246 572996601 /nfs/dbraw/zinc/99/66/01/572996601.db2.gz ORODZMOHVUGYQA-UHFFFAOYSA-N -1 3 193.250 1.388 10 0 ADAEHM CCc1c(N)nc([C@H](C)CC)[n-]c1=O 82561243 573100882 /nfs/dbraw/zinc/10/08/82/573100882.db2.gz UFXATURSKSVLEK-ZCFIWIBFSA-N -1 3 195.266 1.428 10 0 ADAEHM CCC[C@H]1C[N-]C(=S)O1 104632047 573100671 /nfs/dbraw/zinc/10/06/71/573100671.db2.gz HHCCUJDUTHRQJW-YFKPBYRVSA-N -1 3 145.227 1.060 10 0 ADAEHM CCC[C@@](N)(C(=O)[O-])C(C)(C)F 257953561 573111254 /nfs/dbraw/zinc/11/12/54/573111254.db2.gz WNYUXMGYHRNXGJ-MRVPVSSYSA-N -1 3 177.219 1.317 10 0 ADAEHM O=C([O-])c1cccc([C@H]2CCN2)c1F 104682893 573183616 /nfs/dbraw/zinc/18/36/16/573183616.db2.gz AOHIEECRAJWMQE-MRVPVSSYSA-N -1 3 195.193 1.558 10 0 ADAEHM C[C@@H]1C[C@H]1COC(=O)c1cn[n-]c1 308295317 573184110 /nfs/dbraw/zinc/18/41/10/573184110.db2.gz JSMVURAVLXPKBN-RQJHMYQMSA-N -1 3 180.207 1.223 10 0 ADAEHM C[C@@H](O)Cc1cc([O-])c(F)cc1F 257967102 573199359 /nfs/dbraw/zinc/19/93/59/573199359.db2.gz CMUOGYLBDALTRQ-RXMQYKEDSA-N -1 3 188.173 1.594 10 0 ADAEHM CCc1nc2c(=O)cc[n-]c2[nH]1 238309696 573199372 /nfs/dbraw/zinc/19/93/72/573199372.db2.gz ZNTGBWDLJVXGTH-UHFFFAOYSA-N -1 3 163.180 1.226 10 0 ADAEHM C[C@@H]1CC(=O)c2ccc([O-])cc2N1 257967925 573200702 /nfs/dbraw/zinc/20/07/02/573200702.db2.gz YHDNZRUPHLOYMG-ZCFIWIBFSA-N -1 3 177.203 1.779 10 0 ADAEHM Cc1ccc(C[C@@H](C)O)c([O-])c1F 257969108 573202948 /nfs/dbraw/zinc/20/29/48/573202948.db2.gz CRTRHBQQCBCOII-SSDOTTSWSA-N -1 3 184.210 1.763 10 0 ADAEHM O=C([O-])c1cnc(CNC2CCC2)o1 257969695 573203183 /nfs/dbraw/zinc/20/31/83/573203183.db2.gz ZPPDIRJMPPKHPJ-UHFFFAOYSA-N -1 3 196.206 1.015 10 0 ADAEHM Cc1nc(-c2ccoc2)c(C)c(=O)[n-]1 235958950 573205266 /nfs/dbraw/zinc/20/52/66/573205266.db2.gz VLMBOOYVPXFGOC-UHFFFAOYSA-N -1 3 190.202 1.647 10 0 ADAEHM O=C([O-])/C=C/N1CCCCC1 115559839 573205286 /nfs/dbraw/zinc/20/52/86/573205286.db2.gz OEANIBRCPRAAKC-QPJJXVBHSA-N -1 3 155.197 1.071 10 0 ADAEHM CCc1nc2nc(=S)[nH]cc2[n-]1 238312621 573205892 /nfs/dbraw/zinc/20/58/92/573205892.db2.gz FMFGHKLXWTVVIH-UHFFFAOYSA-N -1 3 180.236 1.578 10 0 ADAEHM Cc1cncc(-c2cnc[n-]c2=O)c1 235931787 573208900 /nfs/dbraw/zinc/20/89/00/573208900.db2.gz LVAGKUVAYMITFQ-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM CCc1cc2c([O-])coc2cc1OC 238312396 573209328 /nfs/dbraw/zinc/20/93/28/573209328.db2.gz PFKVQBZGWRITFY-UHFFFAOYSA-N -1 3 192.214 1.833 10 0 ADAEHM Cc1nc([S-])c[nH]1 104710712 573212673 /nfs/dbraw/zinc/21/26/73/573212673.db2.gz CRMIKIFLNXEQDG-UHFFFAOYSA-N -1 3 114.173 1.007 10 0 ADAEHM Cc1noc(-c2cc([O-])cc(O)c2)n1 235968893 573213171 /nfs/dbraw/zinc/21/31/71/573213171.db2.gz YKVRHUWXKWUARO-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM O=C([O-])c1ncc(CNC2CC2)s1 257976270 573230472 /nfs/dbraw/zinc/23/04/72/573230472.db2.gz AIQHXULCVQPAPU-UHFFFAOYSA-N -1 3 198.247 1.093 10 0 ADAEHM CCc1cc(C(=O)OC)c(O)cc1[O-] 238314514 573237180 /nfs/dbraw/zinc/23/71/80/573237180.db2.gz OGEYLYOYNWNUEY-UHFFFAOYSA-N -1 3 196.202 1.447 10 0 ADAEHM Cc1onc2cccc([O-])c12 258604646 573237273 /nfs/dbraw/zinc/23/72/73/573237273.db2.gz VGSXDIVLYCMQRC-UHFFFAOYSA-N -1 3 149.149 1.842 10 0 ADAEHM CC[C@H](N)c1ccc([O-])c(Cl)n1 238316884 573247613 /nfs/dbraw/zinc/24/76/13/573247613.db2.gz RFOQDYYWVCOZDD-YFKPBYRVSA-N -1 3 186.642 1.850 10 0 ADAEHM CCO[N-]C(=O)/C=C\c1cncs1 393578560 573247682 /nfs/dbraw/zinc/24/76/82/573247682.db2.gz CETOKQQFBZKVNM-ARJAWSKDSA-N -1 3 198.247 1.224 10 0 ADAEHM N#C[N-]C(=O)c1ccccc1F 86077051 573251864 /nfs/dbraw/zinc/25/18/64/573251864.db2.gz CUZUSVNDRGSEAB-UHFFFAOYSA-N -1 3 164.139 1.037 10 0 ADAEHM CCN(C)c1cc(C(=O)[O-])cc(C)n1 116139746 573252171 /nfs/dbraw/zinc/25/21/71/573252171.db2.gz HCJNUSBGNKJUGL-UHFFFAOYSA-N -1 3 194.234 1.544 10 0 ADAEHM Cc1c(O)ccc([C@H](N)C(=O)[O-])c1C 257979341 573252222 /nfs/dbraw/zinc/25/22/22/573252222.db2.gz DPOVGJFYABEJHS-VIFPVBQESA-N -1 3 195.218 1.093 10 0 ADAEHM CONCc1cc(C)c(F)c([O-])c1 257989257 573271062 /nfs/dbraw/zinc/27/10/62/573271062.db2.gz FIDDZQJIRGPMMZ-UHFFFAOYSA-N -1 3 185.198 1.491 10 0 ADAEHM Cc1ccc([C@]2(C(=O)[O-])CCCN2)o1 258271292 573272190 /nfs/dbraw/zinc/27/21/90/573272190.db2.gz UPWVLBKDSLKTSV-JTQLQIEISA-N -1 3 195.218 1.251 10 0 ADAEHM CN1CCC=C(CCC(=O)[O-])C1 258273820 573273547 /nfs/dbraw/zinc/27/35/47/573273547.db2.gz ZDZUSHKPTFPLQC-UHFFFAOYSA-N -1 3 169.224 1.113 10 0 ADAEHM CN[C@H](C)c1cc(C(=O)[O-])ccn1 238329817 573273818 /nfs/dbraw/zinc/27/38/18/573273818.db2.gz QRKCLCJXGPQYRG-ZCFIWIBFSA-N -1 3 180.207 1.060 10 0 ADAEHM CN[C@H](C)c1cc(C(=O)[O-])ccc1F 238329801 573274196 /nfs/dbraw/zinc/27/41/96/573274196.db2.gz XYGZRACHRLKBNP-ZCFIWIBFSA-N -1 3 197.209 1.804 10 0 ADAEHM Nc1cc(-c2cc([O-])ccc2F)no1 257991350 573276301 /nfs/dbraw/zinc/27/63/01/573276301.db2.gz FOZKURNNBJKBAB-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM C[C@@H](CO)c1ccc(F)cc1[O-] 257990913 573276771 /nfs/dbraw/zinc/27/67/71/573276771.db2.gz KRNPDGIXZZHGCE-LURJTMIESA-N -1 3 170.183 1.627 10 0 ADAEHM C[C@H](CO)c1ccc(F)cc1[O-] 257990925 573276828 /nfs/dbraw/zinc/27/68/28/573276828.db2.gz KRNPDGIXZZHGCE-ZCFIWIBFSA-N -1 3 170.183 1.627 10 0 ADAEHM COCc1ccc(=O)[n-]c1Cl 238324860 573291741 /nfs/dbraw/zinc/29/17/41/573291741.db2.gz HLZWXZDWXGZSKE-UHFFFAOYSA-N -1 3 173.599 1.175 10 0 ADAEHM COCc1ccc2c([O-])coc2c1 238335212 573291903 /nfs/dbraw/zinc/29/19/03/573291903.db2.gz ZBPSJAUFSMSVSL-UHFFFAOYSA-N -1 3 178.187 1.408 10 0 ADAEHM Cc1cc2oc(CN)c([O-])c2c(C)n1 106094250 573292028 /nfs/dbraw/zinc/29/20/28/573292028.db2.gz KCYMTPOBSAIKJC-UHFFFAOYSA-N -1 3 192.218 1.609 10 0 ADAEHM CC(C)c1nc2ccc([O-])cn2n1 257995664 573294805 /nfs/dbraw/zinc/29/48/05/573294805.db2.gz PWKADGTXXOYFHD-UHFFFAOYSA-N -1 3 177.207 1.558 10 0 ADAEHM NC1(c2cc([O-])c(F)cc2F)CC1 257998864 573298192 /nfs/dbraw/zinc/29/81/92/573298192.db2.gz GEUMWGCJTGSOPS-UHFFFAOYSA-N -1 3 185.173 1.618 10 0 ADAEHM CN[C@H](C)c1cccc(C(=O)[O-])n1 238336212 573298257 /nfs/dbraw/zinc/29/82/57/573298257.db2.gz GFSSCSLOBLEARW-ZCFIWIBFSA-N -1 3 180.207 1.060 10 0 ADAEHM NOCc1ccc(C(F)F)cc1[O-] 257999025 573298294 /nfs/dbraw/zinc/29/82/94/573298294.db2.gz GHTHYUIVZZABRO-UHFFFAOYSA-N -1 3 189.161 1.720 10 0 ADAEHM C[C@H](O)Cc1cc(F)cc(F)c1[O-] 257999014 573298396 /nfs/dbraw/zinc/29/83/96/573298396.db2.gz GHDVENQQMZAYHJ-YFKPBYRVSA-N -1 3 188.173 1.594 10 0 ADAEHM CN[C@H](C)c1cccc(C(=O)[O-])c1F 238336197 573298496 /nfs/dbraw/zinc/29/84/96/573298496.db2.gz NGGRVYOZRZFSKA-ZCFIWIBFSA-N -1 3 197.209 1.804 10 0 ADAEHM C[C@@H](O)Cc1cc(F)cc(F)c1[O-] 257999013 573298574 /nfs/dbraw/zinc/29/85/74/573298574.db2.gz GHDVENQQMZAYHJ-RXMQYKEDSA-N -1 3 188.173 1.594 10 0 ADAEHM CSc1c([O-])ccc(CO)c1F 257998993 573298632 /nfs/dbraw/zinc/29/86/32/573298632.db2.gz GGMYYLZRSOGINQ-UHFFFAOYSA-N -1 3 188.223 1.746 10 0 ADAEHM CCc1cc([O-])c(F)c(CO)c1 238335404 573298636 /nfs/dbraw/zinc/29/86/36/573298636.db2.gz KPUIUOFBVWTOGC-UHFFFAOYSA-N -1 3 170.183 1.586 10 0 ADAEHM CNc1sc2sccc2c1[O-] 74281194 573298669 /nfs/dbraw/zinc/29/86/69/573298669.db2.gz CKLWCWHYCCBGCI-ZCFIWIBFSA-N -1 3 185.273 1.582 10 0 ADAEHM Cc1cc(CNO)c(F)cc1[O-] 257998811 573298902 /nfs/dbraw/zinc/29/89/02/573298902.db2.gz LPARLHCDSYCJJW-UHFFFAOYSA-N -1 3 171.171 1.319 10 0 ADAEHM Cc1cc([O-])c(Cl)cc1CON 257999055 573299183 /nfs/dbraw/zinc/29/91/83/573299183.db2.gz GIMFVVGKIWZGGS-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM CN[C@@H](C)c1ncccc1C(=O)[O-] 238336801 573299247 /nfs/dbraw/zinc/29/92/47/573299247.db2.gz PYWHFDQTVSKXKP-LURJTMIESA-N -1 3 180.207 1.060 10 0 ADAEHM Cc1ccc([C@@H](N)C(=O)[O-])c(C)c1O 257998995 573299285 /nfs/dbraw/zinc/29/92/85/573299285.db2.gz GGPCOPFHQBKTIJ-MRVPVSSYSA-N -1 3 195.218 1.093 10 0 ADAEHM CN[C@H](C)c1cncc(C(=O)[O-])c1 238339200 573303264 /nfs/dbraw/zinc/30/32/64/573303264.db2.gz ULKPAKLRWKHLBF-ZCFIWIBFSA-N -1 3 180.207 1.060 10 0 ADAEHM N[C@@H](c1ccsc1)[P@@H](=O)[O-] 117034897 573313643 /nfs/dbraw/zinc/31/36/43/573313643.db2.gz RBCUHRKIPOFHRV-RXMQYKEDSA-N -1 3 177.165 1.172 10 0 ADAEHM N[C@@H](c1ccsc1)[P@H](=O)[O-] 117034897 573313651 /nfs/dbraw/zinc/31/36/51/573313651.db2.gz RBCUHRKIPOFHRV-RXMQYKEDSA-N -1 3 177.165 1.172 10 0 ADAEHM COC(C)(C)C(=O)[N-]c1cc(C)no1 224008665 573314604 /nfs/dbraw/zinc/31/46/04/573314604.db2.gz LKBCKRIFZIEOAA-UHFFFAOYSA-N -1 3 198.222 1.347 10 0 ADAEHM O=C[N-]C(C(F)(F)F)C(F)(F)F 117041802 573314928 /nfs/dbraw/zinc/31/49/28/573314928.db2.gz DHPBLSIFTZJGKV-UHFFFAOYSA-N -1 3 195.062 1.226 10 0 ADAEHM C[C@H](O)c1ccc([O-])c(F)c1O 258000897 573315059 /nfs/dbraw/zinc/31/50/59/573315059.db2.gz LVEYZZNRXFDWOT-BYPYZUCNSA-N -1 3 172.155 1.290 10 0 ADAEHM [O-]c1cc(F)cc([C@@H]2CNCCO2)c1 106874023 573324261 /nfs/dbraw/zinc/32/42/61/573324261.db2.gz WWXSXXWRUPIRNL-JTQLQIEISA-N -1 3 197.209 1.192 10 0 ADAEHM Nc1cc2scnc2cc1[O-] 74337929 573324282 /nfs/dbraw/zinc/32/42/82/573324282.db2.gz PHUKOBHWYVHUGD-UHFFFAOYSA-N -1 3 166.205 1.584 10 0 ADAEHM [O-]c1cc(F)cc([C@H]2CNCCO2)c1 106874025 573325223 /nfs/dbraw/zinc/32/52/23/573325223.db2.gz WWXSXXWRUPIRNL-SNVBAGLBSA-N -1 3 197.209 1.192 10 0 ADAEHM CNCC(=O)c1cc(C)cc([O-])c1F 258003943 573325289 /nfs/dbraw/zinc/32/52/89/573325289.db2.gz GUXMYOSZEOYPFJ-UHFFFAOYSA-N -1 3 197.209 1.242 10 0 ADAEHM CC(C)CCc1nc(CO)cc(=O)[n-]1 308553855 573325559 /nfs/dbraw/zinc/32/55/59/573325559.db2.gz UFMXQGOYABNVIE-UHFFFAOYSA-N -1 3 196.250 1.263 10 0 ADAEHM CC(C)[C@](N)(C(=O)[O-])c1cccs1 106876844 573326559 /nfs/dbraw/zinc/32/65/59/573326559.db2.gz MEVGMYCCOVMAQC-SECBINFHSA-N -1 3 199.275 1.643 10 0 ADAEHM COC(=O)c1cc(C(C)C)c([O-])cn1 238343166 573326572 /nfs/dbraw/zinc/32/65/72/573326572.db2.gz BRYWQUVOSWWGAF-UHFFFAOYSA-N -1 3 195.218 1.697 10 0 ADAEHM CNCC(=O)c1cccc([O-])c1Cl 106877387 573326599 /nfs/dbraw/zinc/32/65/99/573326599.db2.gz KPLAFMYWQHQTPG-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM O=c1[n-]cncc1Cc1cccs1 143618936 573328519 /nfs/dbraw/zinc/32/85/19/573328519.db2.gz PKFOKQBHMATPSC-UHFFFAOYSA-N -1 3 192.243 1.422 10 0 ADAEHM CC(C)[C@@](N)(C(=O)[O-])c1cccs1 106876847 573328800 /nfs/dbraw/zinc/32/88/00/573328800.db2.gz MEVGMYCCOVMAQC-VIFPVBQESA-N -1 3 199.275 1.643 10 0 ADAEHM O=Cc1cnc(C(F)(F)F)[n-]1 74340734 573329057 /nfs/dbraw/zinc/32/90/57/573329057.db2.gz AYFRYBPCFVPYIP-UHFFFAOYSA-N -1 3 164.086 1.241 10 0 ADAEHM O=Cc1c[n-]c(C(F)(F)F)n1 74340734 573329061 /nfs/dbraw/zinc/32/90/61/573329061.db2.gz AYFRYBPCFVPYIP-UHFFFAOYSA-N -1 3 164.086 1.241 10 0 ADAEHM CNCC(=O)c1cc([O-])cc(Cl)c1 106877393 573329103 /nfs/dbraw/zinc/32/91/03/573329103.db2.gz CGAXMNLJCULOAB-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM CNCC(=O)c1ccc(Cl)c([O-])c1 106877389 573329161 /nfs/dbraw/zinc/32/91/61/573329161.db2.gz IJPXSHSQAIKSDB-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM CNCC(=O)c1cc([O-])ccc1Cl 106877395 573329639 /nfs/dbraw/zinc/32/96/39/573329639.db2.gz ZYPBTUPZXHEEBX-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM COc1cc(O)c(C=O)c([O-])c1C 224051872 573331283 /nfs/dbraw/zinc/33/12/83/573331283.db2.gz QUWFBPHNFMOFTB-UHFFFAOYSA-N -1 3 182.175 1.227 10 0 ADAEHM COc1cc(F)nc(C(F)F)c1[O-] 238359747 573334338 /nfs/dbraw/zinc/33/43/38/573334338.db2.gz MNAIJIVRMGUZAJ-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM COc1cc(C(F)F)[n-]c(=O)c1F 238354669 573337983 /nfs/dbraw/zinc/33/79/83/573337983.db2.gz UPZDYQJAOBVPHD-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM COc1ccccc1NC(=O)N(C)[O-] 238355504 573338401 /nfs/dbraw/zinc/33/84/01/573338401.db2.gz OCXGYSZMBNWSPO-UHFFFAOYSA-N -1 3 196.206 1.548 10 0 ADAEHM Cn1[n-]c2c(Cl)cccc2c1=O 107084321 573342493 /nfs/dbraw/zinc/34/24/93/573342493.db2.gz GQUIQYNCSQWWOA-UHFFFAOYSA-N -1 3 182.610 1.520 10 0 ADAEHM COC(=O)c1cc(F)cc(C=O)c1[O-] 238362990 573347159 /nfs/dbraw/zinc/34/71/59/573347159.db2.gz QXXCOFQOKJWPNV-UHFFFAOYSA-N -1 3 198.149 1.130 10 0 ADAEHM COc1cccc(C(=O)[O-])c1[C@H](C)N 238364946 573347706 /nfs/dbraw/zinc/34/77/06/573347706.db2.gz OBEFKEWQKSUFRV-LURJTMIESA-N -1 3 195.218 1.413 10 0 ADAEHM C[N-]C(=S)OCc1ccccc1F 238365680 573347975 /nfs/dbraw/zinc/34/79/75/573347975.db2.gz DPTOOQFIMFTALR-UHFFFAOYSA-N -1 3 199.250 1.847 10 0 ADAEHM CC(C)(CC(=O)[O-])[C@@H](N)c1ccc[nH]1 259425394 573348490 /nfs/dbraw/zinc/34/84/90/573348490.db2.gz PELSZDRZVJMKQJ-VIFPVBQESA-N -1 3 196.250 1.515 10 0 ADAEHM Cc1ccc(CN(C)C)cc1C(=O)[O-] 258009553 573357782 /nfs/dbraw/zinc/35/77/82/573357782.db2.gz ASOZTGJGHXLVDK-UHFFFAOYSA-N -1 3 193.246 1.755 10 0 ADAEHM CC(C)(C)Cc1cc(=O)[nH][n-]1 197513124 573361983 /nfs/dbraw/zinc/36/19/83/573361983.db2.gz MFTFCVKASOJNPH-UHFFFAOYSA-N -1 3 154.213 1.292 10 0 ADAEHM COc1cccc(-c2nnco2)c1[O-] 238360796 573366255 /nfs/dbraw/zinc/36/62/55/573366255.db2.gz AUDQGHNFYUYSDZ-UHFFFAOYSA-N -1 3 192.174 1.451 10 0 ADAEHM COc1cc(C)c(NC(N)=O)c([O-])c1 238369722 573370288 /nfs/dbraw/zinc/37/02/88/573370288.db2.gz KXKWDAFOFHFWAT-UHFFFAOYSA-N -1 3 196.206 1.200 10 0 ADAEHM Cc1[n-]c(=O)nc2c(Cl)cccc12 214780063 573370861 /nfs/dbraw/zinc/37/08/61/573370861.db2.gz JDJUEULJEHBWTD-UHFFFAOYSA-N -1 3 194.621 1.885 10 0 ADAEHM C[C@@H](CO)c1cc([O-])c(F)cc1F 258014234 573371062 /nfs/dbraw/zinc/37/10/62/573371062.db2.gz HQUFWHBQIYFRMG-YFKPBYRVSA-N -1 3 188.173 1.766 10 0 ADAEHM COc1cc(O)c2c([O-])coc2c1 238372939 573380026 /nfs/dbraw/zinc/38/00/26/573380026.db2.gz AERLOTFLOBMJCY-UHFFFAOYSA-N -1 3 180.159 1.853 10 0 ADAEHM CO[C@@](C)(C(C)=O)c1ccccc1[O-] 238374463 573384567 /nfs/dbraw/zinc/38/45/67/573384567.db2.gz GWAGFCLMWUONOO-NSHDSACASA-N -1 3 194.230 1.843 10 0 ADAEHM Cc1cc2c([O-])c(CON)ccc2[nH]1 258011427 573384022 /nfs/dbraw/zinc/38/40/22/573384022.db2.gz HKJCWRXVHQFTHN-UHFFFAOYSA-N -1 3 192.218 1.572 10 0 ADAEHM O=c1cc(C(F)F)occ1[O-] 118071962 573384330 /nfs/dbraw/zinc/38/43/30/573384330.db2.gz WZBYHKUJTFBKTJ-UHFFFAOYSA-N -1 3 162.091 1.283 10 0 ADAEHM COc1cc(C2(O)CC2)c(F)cc1[O-] 258011296 573384345 /nfs/dbraw/zinc/38/43/45/573384345.db2.gz HIKWKBWKKGFDKG-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM COc1ccc([O-])c(C=O)c1C 238376383 573389069 /nfs/dbraw/zinc/38/90/69/573389069.db2.gz PZOGDQKSPWDVIB-UHFFFAOYSA-N -1 3 166.176 1.522 10 0 ADAEHM CCc1c([O-])c2ccccc2[nH]c1=O 214475731 573388765 /nfs/dbraw/zinc/38/87/65/573388765.db2.gz QPNZDBSPRGGWTN-SSDOTTSWSA-N -1 3 189.214 1.848 10 0 ADAEHM COC(=O)/C(F)=C/c1ccccc1[O-] 257810076 573396534 /nfs/dbraw/zinc/39/65/34/573396534.db2.gz ACLOOXAXIYFUJQ-VURMDHGXSA-N -1 3 196.177 1.876 10 0 ADAEHM COc1ccnc2cccc([O-])c12 238386787 573396627 /nfs/dbraw/zinc/39/66/27/573396627.db2.gz FODXYRRMFQKAPD-UHFFFAOYSA-N -1 3 175.187 1.949 10 0 ADAEHM CS[C@@H](O)C(=O)c1ccccc1[O-] 238385794 573398608 /nfs/dbraw/zinc/39/86/08/573398608.db2.gz ACVNIKOYZJEPSS-SECBINFHSA-N -1 3 198.243 1.256 10 0 ADAEHM COc1nc(F)cc(C(F)F)c1[O-] 238386986 573398054 /nfs/dbraw/zinc/39/80/54/573398054.db2.gz YGCJNVGWQPVXKA-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM O=C([O-])[C@H]1C[C@@H]1CNCc1ccco1 258642914 573398353 /nfs/dbraw/zinc/39/83/53/573398353.db2.gz LWUIZEQFCFTRRL-APPZFPTMSA-N -1 3 195.218 1.090 10 0 ADAEHM COc1nc(F)c(C(F)F)cc1[O-] 238385900 573398451 /nfs/dbraw/zinc/39/84/51/573398451.db2.gz AIVNGCWFGSEFJZ-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM NC1(C(=O)c2ccc([O-])cc2)CC1 257810677 573398850 /nfs/dbraw/zinc/39/88/50/573398850.db2.gz AOWZEFUHDGCRPM-UHFFFAOYSA-N -1 3 177.203 1.066 10 0 ADAEHM COC(=O)Nc1cccc2n[n-]nc12 74852839 573399196 /nfs/dbraw/zinc/39/91/96/573399196.db2.gz ZLEGONXXHSRUKL-UHFFFAOYSA-N -1 3 192.178 1.136 10 0 ADAEHM NCc1nc(-c2ccccc2[O-])co1 257810121 573399404 /nfs/dbraw/zinc/39/94/04/573399404.db2.gz AFDAYBYTQFTMNQ-UHFFFAOYSA-N -1 3 190.202 1.506 10 0 ADAEHM COc1cc2c([O-])coc2cc1F 238389188 573406964 /nfs/dbraw/zinc/40/69/64/573406964.db2.gz YYIVZCKVTGEIEZ-UHFFFAOYSA-N -1 3 182.150 1.409 10 0 ADAEHM C[C@H](c1cccc([O-])c1C=O)N(C)C 238389498 573406866 /nfs/dbraw/zinc/40/68/66/573406866.db2.gz JPDFUPZERNSQEV-MRVPVSSYSA-N -1 3 193.246 1.827 10 0 ADAEHM COc1cc2c(cc1[O-])CCOC2=O 238389448 573406878 /nfs/dbraw/zinc/40/68/78/573406878.db2.gz AGGDKAKRCLDUSM-UHFFFAOYSA-N -1 3 194.186 1.114 10 0 ADAEHM COc1cc([O-])c(C(F)F)[nH]c1=O 238389576 573407027 /nfs/dbraw/zinc/40/70/27/573407027.db2.gz IHLCVZFKZNVQKM-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM CC(C)NCc1cc(C(=O)[O-])ccn1 129888253 573412962 /nfs/dbraw/zinc/41/29/62/573412962.db2.gz IPNYWHCZBOBBJE-UHFFFAOYSA-N -1 3 194.234 1.278 10 0 ADAEHM CC(C)C[C@](N)(C(=O)[O-])[C@@H](C)F 257811178 573417108 /nfs/dbraw/zinc/41/71/08/573417108.db2.gz AYJGTJWAIYGIAP-HTRCEHHLSA-N -1 3 177.219 1.173 10 0 ADAEHM CC(C)C[C@@](N)(C(=O)[O-])[C@@H](C)F 257811180 573416900 /nfs/dbraw/zinc/41/69/00/573416900.db2.gz AYJGTJWAIYGIAP-SVRRBLITSA-N -1 3 177.219 1.173 10 0 ADAEHM Cc1c(C2CCC2)[n-]oc1=O 107219057 573419608 /nfs/dbraw/zinc/41/96/08/573419608.db2.gz VPLBVDFQTRTWCR-UHFFFAOYSA-N -1 3 153.181 1.956 10 0 ADAEHM [O-]c1c(O)cccc1-c1ncco1 118728578 573419609 /nfs/dbraw/zinc/41/96/09/573419609.db2.gz FLXJFELQTCADGF-UHFFFAOYSA-N -1 3 177.159 1.753 10 0 ADAEHM COc1cc(C)nc(C)c1C(=O)[O-] 83138213 573423913 /nfs/dbraw/zinc/42/39/13/573423913.db2.gz AFQLRSLLTBMOCC-UHFFFAOYSA-N -1 3 181.191 1.405 10 0 ADAEHM O=Cc1ncc(-c2nccs2)[n-]1 83142961 573423950 /nfs/dbraw/zinc/42/39/50/573423950.db2.gz UKPYIUYWRBWNBW-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM O=Cc1nc(-c2nccs2)c[n-]1 83142961 573423955 /nfs/dbraw/zinc/42/39/55/573423955.db2.gz UKPYIUYWRBWNBW-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM O=Cc1cc(-c2nccs2)n[n-]1 83142879 573424155 /nfs/dbraw/zinc/42/41/55/573424155.db2.gz RFOJUZFVCJVRGH-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM O=Cc1cc(-c2nccs2)[n-]n1 83142879 573424161 /nfs/dbraw/zinc/42/41/61/573424161.db2.gz RFOJUZFVCJVRGH-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM CCN1CCC[C@H](n2cc([O-])cn2)C1 258019374 573424382 /nfs/dbraw/zinc/42/43/82/573424382.db2.gz RLTMHLOGFDLDDI-VIFPVBQESA-N -1 3 195.266 1.246 10 0 ADAEHM NN=c1[n-]c(-c2nccs2)cs1 83142853 573425049 /nfs/dbraw/zinc/42/50/49/573425049.db2.gz ZFULTGWEJWECHQ-UHFFFAOYSA-N -1 3 198.276 1.552 10 0 ADAEHM Cc1ccc(F)c(CON)c1[O-] 258028747 573427774 /nfs/dbraw/zinc/42/77/74/573427774.db2.gz OXGKUFACTIRDRN-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM C[C@H]1SCc2c1nc[n-]c2=O 107223450 573430897 /nfs/dbraw/zinc/43/08/97/573430897.db2.gz VRKTZNMKCWPGPI-SCSAIBSYSA-N -1 3 168.221 1.490 10 0 ADAEHM CCC[C@@H](F)c1nc[n-]c(=O)c1C 144144685 573430960 /nfs/dbraw/zinc/43/09/60/573430960.db2.gz FQXHSKXWTLHOHK-SSDOTTSWSA-N -1 3 184.214 1.889 10 0 ADAEHM CCC[C@H](F)c1nc[n-]c(=O)c1C 144144907 573431166 /nfs/dbraw/zinc/43/11/66/573431166.db2.gz FQXHSKXWTLHOHK-ZETCQYMHSA-N -1 3 184.214 1.889 10 0 ADAEHM CC(C)[C@@H]1NCc2c1[n-]oc2=O 107223362 573434302 /nfs/dbraw/zinc/43/43/02/573434302.db2.gz LRXRDHPKGRXXPO-LURJTMIESA-N -1 3 168.196 1.181 10 0 ADAEHM CCCC1([C@@H]2NC(=O)[N-]C2=O)CCC1 686131228 573434806 /nfs/dbraw/zinc/43/48/06/573434806.db2.gz DNZYGTSPOXLWFF-SSDOTTSWSA-N -1 3 196.250 1.165 10 0 ADAEHM C[C@@H]1N[C@H](CC(=O)[O-])C(C)(C)S1 238398637 573446849 /nfs/dbraw/zinc/44/68/49/573446849.db2.gz KGPACEMKKNYZRY-PHDIDXHHSA-N -1 3 189.280 1.291 10 0 ADAEHM COc1cc([O-])cnc1C(F)F 238398569 573446376 /nfs/dbraw/zinc/44/63/76/573446376.db2.gz JODHETYVSVQYFF-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM Cc1cccc(-c2cnnc(=O)[n-]2)c1 257814500 573457422 /nfs/dbraw/zinc/45/74/22/573457422.db2.gz CIXNCFZRCDEKPP-UHFFFAOYSA-N -1 3 187.202 1.553 10 0 ADAEHM C[C@@H](O)c1nc2c(Cl)ncnc2[n-]1 238402279 573457621 /nfs/dbraw/zinc/45/76/21/573457621.db2.gz RUOLKPBFJYJBSX-GSVOUGTGSA-N -1 3 198.613 1.060 10 0 ADAEHM Nc1nc2c(c(=O)[n-]1)CCCCCC2 142677910 573457768 /nfs/dbraw/zinc/45/77/68/573457768.db2.gz IUJZNKYZJVVTSZ-UHFFFAOYSA-N -1 3 193.250 1.011 10 0 ADAEHM O=C1CCSc2cccc([O-])c2N1 258395196 573468098 /nfs/dbraw/zinc/46/80/98/573468098.db2.gz BNJCGYILCFCROH-UHFFFAOYSA-N -1 3 195.243 1.827 10 0 ADAEHM O=C([O-])c1cnoc1[C@H]1CCCCN1 258390092 573468686 /nfs/dbraw/zinc/46/86/86/573468686.db2.gz BBDSQJWFFYYDAW-SSDOTTSWSA-N -1 3 196.206 1.187 10 0 ADAEHM C[C@@H]1CN(c2ccccc2[O-])C(=O)N1 257815594 573469349 /nfs/dbraw/zinc/46/93/49/573469349.db2.gz CZRDJTARXLSGKO-SSDOTTSWSA-N -1 3 192.218 1.310 10 0 ADAEHM C[C@](F)(c1ccccc1)[C@H](N)C(=O)[O-] 238408649 573469424 /nfs/dbraw/zinc/46/94/24/573469424.db2.gz ZGLZJRYDTCHBNC-SCZZXKLOSA-N -1 3 197.209 1.283 10 0 ADAEHM CNCC(=O)c1ccc(Cl)cc1[O-] 75068357 573470470 /nfs/dbraw/zinc/47/04/70/573470470.db2.gz GUPXSNGHDWXPEC-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM C[C@H]1C(=O)[N-]C(=O)N1C1=CCCCC1 238412178 573473351 /nfs/dbraw/zinc/47/33/51/573473351.db2.gz LLDGVFLCWAUPRV-ZETCQYMHSA-N -1 3 194.234 1.385 10 0 ADAEHM CNCC(=O)c1ccc([O-])c(Cl)c1 75068356 573473615 /nfs/dbraw/zinc/47/36/15/573473615.db2.gz YRNPBWQMRPVPED-UHFFFAOYSA-N -1 3 199.637 1.448 10 0 ADAEHM Nc1cc(-c2c([O-])cccc2O)on1 258045105 573473774 /nfs/dbraw/zinc/47/37/74/573473774.db2.gz KAYAFGXYCYWWOB-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM CC[C@H]1c2nc[n-]c(=O)c2CN1C 107226883 573474999 /nfs/dbraw/zinc/47/49/99/573474999.db2.gz PYOBAACSEUBZGK-ZETCQYMHSA-N -1 3 179.223 1.079 10 0 ADAEHM Cc1c([C@@H]2CCCCN2)[n-]oc1=O 107285758 573479343 /nfs/dbraw/zinc/47/93/43/573479343.db2.gz LVMXOLXOXCWNIA-ZETCQYMHSA-N -1 3 182.223 1.091 10 0 ADAEHM CN1CC[C@@](F)(C(C)(C)C(=O)[O-])C1 257818305 573479431 /nfs/dbraw/zinc/47/94/31/573479431.db2.gz FBZSGSLYEWVOPB-VIFPVBQESA-N -1 3 189.230 1.141 10 0 ADAEHM CC(=O)CCc1[n-]oc(=O)c1C 107286077 573479688 /nfs/dbraw/zinc/47/96/88/573479688.db2.gz HJMDZWRBLLLLBF-UHFFFAOYSA-N -1 3 169.180 1.210 10 0 ADAEHM C[C@@H](N)c1c(F)cc([O-])c(F)c1F 238414246 573479847 /nfs/dbraw/zinc/47/98/47/573479847.db2.gz KXMQRXVJOBQZFU-GSVOUGTGSA-N -1 3 191.152 1.829 10 0 ADAEHM COC(=O)c1cnc(-c2cc[nH]c2)[n-]1 259468346 573485322 /nfs/dbraw/zinc/48/53/22/573485322.db2.gz BBNBQCRJUUYOKK-UHFFFAOYSA-N -1 3 191.190 1.191 10 0 ADAEHM COC(=O)c1c[n-]c(-c2cc[nH]c2)n1 259468346 573485335 /nfs/dbraw/zinc/48/53/35/573485335.db2.gz BBNBQCRJUUYOKK-UHFFFAOYSA-N -1 3 191.190 1.191 10 0 ADAEHM CN1CCC/C(=C\C(=O)[O-])CC1 83417661 573490860 /nfs/dbraw/zinc/49/08/60/573490860.db2.gz DGRCPQLJDCEBSA-BQYQJAHWSA-N -1 3 169.224 1.113 10 0 ADAEHM C[C@@H](F)c1cc(CON)ccc1[O-] 258039195 573491339 /nfs/dbraw/zinc/49/13/39/573491339.db2.gz JQKCSSVWKHMARP-ZCFIWIBFSA-N -1 3 185.198 1.813 10 0 ADAEHM CCc1[n-]n(C(C)(C)C)c(=O)c1CN 258042061 573494512 /nfs/dbraw/zinc/49/45/12/573494512.db2.gz TWFWLTBSURCBNG-UHFFFAOYSA-N -1 3 197.282 1.365 10 0 ADAEHM CO[C@@H](C)c1nnc(Cl)[n-]1 86591934 573509170 /nfs/dbraw/zinc/50/91/70/573509170.db2.gz KONCVHFAKVBHGF-VKHMYHEASA-N -1 3 161.592 1.166 10 0 ADAEHM CO[C@@H](C)c1n[n-]c(Cl)n1 86591934 573509174 /nfs/dbraw/zinc/50/91/74/573509174.db2.gz KONCVHFAKVBHGF-VKHMYHEASA-N -1 3 161.592 1.166 10 0 ADAEHM CO[C@@H](C)c1nc(Cl)n[n-]1 86591934 573509178 /nfs/dbraw/zinc/50/91/78/573509178.db2.gz KONCVHFAKVBHGF-VKHMYHEASA-N -1 3 161.592 1.166 10 0 ADAEHM C[C@H](c1ccc(C(=O)[O-])[nH]1)N(C)C 257822726 573519333 /nfs/dbraw/zinc/51/93/33/573519333.db2.gz GGWZKFMMKTWUMM-ZCFIWIBFSA-N -1 3 182.223 1.336 10 0 ADAEHM CC[C@@H]1OC(=O)C(C)=C([O-])[C@@H]1C 198226331 573519703 /nfs/dbraw/zinc/51/97/03/573519703.db2.gz WENGDWLJTQGDNF-VQVTYTSYSA-N -1 3 170.208 1.163 10 0 ADAEHM Nc1c[n-]n(-c2ccccc2)c1=O 107334265 573532043 /nfs/dbraw/zinc/53/20/43/573532043.db2.gz YAONHJSDCKMCNC-UHFFFAOYSA-N -1 3 175.191 1.160 10 0 ADAEHM Cc1ccc([C@@H](N)[C@H](C)CC(=O)[O-])o1 259493084 573532069 /nfs/dbraw/zinc/53/20/69/573532069.db2.gz TVXWELRVNZWVFX-LDWIPMOCSA-N -1 3 197.234 1.699 10 0 ADAEHM O=Cc1c(F)c([O-])cc2c1OCCO2 257829212 573536929 /nfs/dbraw/zinc/53/69/29/573536929.db2.gz IPPLLCLGQPMYNW-UHFFFAOYSA-N -1 3 198.149 1.115 10 0 ADAEHM CC(C)(O)c1ccc([O-])cc1C=O 258054544 573536966 /nfs/dbraw/zinc/53/69/66/573536966.db2.gz RXBYDJMPFKBUHA-UHFFFAOYSA-N -1 3 180.203 1.432 10 0 ADAEHM O=Cc1cnc(-c2cccc([O-])c2)o1 258055618 573537150 /nfs/dbraw/zinc/53/71/50/573537150.db2.gz LEQWPLSTRNNLBF-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM CC(=O)Cc1cc(C)cc(F)c1[O-] 107344047 573537338 /nfs/dbraw/zinc/53/73/38/573537338.db2.gz DTZHKDXUXFJDAX-UHFFFAOYSA-N -1 3 182.194 1.971 10 0 ADAEHM C[C@@H](O)c1c[n-]c2ccccc2c1=O 95534991 573546245 /nfs/dbraw/zinc/54/62/45/573546245.db2.gz ZETLOWDTYJKRTL-SSDOTTSWSA-N -1 3 189.214 1.581 10 0 ADAEHM O=C([O-])c1cnc([C@@H]2CCCCN2)o1 107363801 573546804 /nfs/dbraw/zinc/54/68/04/573546804.db2.gz KCWPINADTCNIBO-LURJTMIESA-N -1 3 196.206 1.187 10 0 ADAEHM C[C@@H](c1c[nH]c(C(=O)[O-])c1)N(C)C 257825558 573550212 /nfs/dbraw/zinc/55/02/12/573550212.db2.gz HDHNHLYNJGNECD-LURJTMIESA-N -1 3 182.223 1.336 10 0 ADAEHM CSc1nc(N)c(N)c(=S)[n-]1 238437798 573550223 /nfs/dbraw/zinc/55/02/23/573550223.db2.gz ILLJTFCRFADAQF-UHFFFAOYSA-N -1 3 188.281 1.025 10 0 ADAEHM CCn1[n-]c(=O)c2cccc(O)c21 257826442 573555017 /nfs/dbraw/zinc/55/50/17/573555017.db2.gz HMHYVSMSRKESSM-UHFFFAOYSA-N -1 3 178.191 1.055 10 0 ADAEHM Cc1ccc(CO)c(C=O)c1[O-] 145156373 573560035 /nfs/dbraw/zinc/56/00/35/573560035.db2.gz WOOLHFBLDXPARQ-UHFFFAOYSA-N -1 3 166.176 1.005 10 0 ADAEHM Cc1ccc(-c2cc(N)no2)c([O-])c1 258061800 573560331 /nfs/dbraw/zinc/56/03/31/573560331.db2.gz LKQTYVZHAATUGN-UHFFFAOYSA-N -1 3 190.202 1.938 10 0 ADAEHM O=Cc1c[n-]c(C(F)(F)F)cc1=O 95761597 573560340 /nfs/dbraw/zinc/56/03/40/573560340.db2.gz ZHHAIRYRDHGPBE-UHFFFAOYSA-N -1 3 191.108 1.619 10 0 ADAEHM O=Cc1cnc(C(F)(F)F)cc1[O-] 95761597 573560346 /nfs/dbraw/zinc/56/03/46/573560346.db2.gz ZHHAIRYRDHGPBE-UHFFFAOYSA-N -1 3 191.108 1.619 10 0 ADAEHM CC(C)C[C@](N)(C(=O)[O-])C(C)(C)F 257831398 573565448 /nfs/dbraw/zinc/56/54/48/573565448.db2.gz JJNOLKCAWCRNFJ-VIFPVBQESA-N -1 3 191.246 1.563 10 0 ADAEHM O=C(NCl)c1ccccc1[O-] 145214847 573565928 /nfs/dbraw/zinc/56/59/28/573565928.db2.gz WZHOXMLWRIFRQK-UHFFFAOYSA-N -1 3 171.583 1.276 10 0 ADAEHM NOCc1cc(Cl)ccc1[O-] 258064444 573568559 /nfs/dbraw/zinc/56/85/59/573568559.db2.gz TTZWHJIUIDEWDO-UHFFFAOYSA-N -1 3 173.599 1.436 10 0 ADAEHM CC(C)n1[nH]c(=O)c2ccc([O-])cc21 257831934 573568752 /nfs/dbraw/zinc/56/87/52/573568752.db2.gz JPLFYVLVMWPVOQ-UHFFFAOYSA-N -1 3 192.218 1.616 10 0 ADAEHM C[C@H](O)c1ncc2c([O-])cccn12 257831997 573570349 /nfs/dbraw/zinc/57/03/49/573570349.db2.gz JXLFRRXBDGDMJC-LURJTMIESA-N -1 3 178.191 1.093 10 0 ADAEHM CC[C@@H](F)c1nc[n-]c(=O)c1C 144345097 573576925 /nfs/dbraw/zinc/57/69/25/573576925.db2.gz NEUOAOODXMXWGR-ZCFIWIBFSA-N -1 3 170.187 1.499 10 0 ADAEHM CN1CCC([C@@](C)(F)C(=O)[O-])CC1 257832428 573573310 /nfs/dbraw/zinc/57/33/10/573573310.db2.gz JSYWJHBQGAONDY-SECBINFHSA-N -1 3 189.230 1.141 10 0 ADAEHM C[C@@H]1CCN1[C@H]1C=C[C@@H](C(=O)[O-])C1 86687158 573573539 /nfs/dbraw/zinc/57/35/39/573573539.db2.gz MRHUFRWBZBLMDJ-HLTSFMKQSA-N -1 3 181.235 1.110 10 0 ADAEHM CN1CCC([C@](C)(F)C(=O)[O-])CC1 257832429 573573614 /nfs/dbraw/zinc/57/36/14/573573614.db2.gz JSYWJHBQGAONDY-VIFPVBQESA-N -1 3 189.230 1.141 10 0 ADAEHM O=C([O-])[C@@H]1C=C[C@H](N2CC3(CC3)C2)C1 86687214 573573806 /nfs/dbraw/zinc/57/38/06/573573806.db2.gz LTHYYDWBZATUHC-BDAKNGLRSA-N -1 3 193.246 1.112 10 0 ADAEHM CCC[C@H](F)c1cc(=O)[n-]cn1 144398473 573577519 /nfs/dbraw/zinc/57/75/19/573577519.db2.gz IFYSSACPLJDNOT-LURJTMIESA-N -1 3 170.187 1.581 10 0 ADAEHM COc1cc(C=O)c(C)c(C)c1[O-] 257832964 573577580 /nfs/dbraw/zinc/57/75/80/573577580.db2.gz KFUADMMVJHJGEZ-UHFFFAOYSA-N -1 3 180.203 1.830 10 0 ADAEHM CN1CCC/C(=C(\F)C(=O)[O-])CC1 86717176 573584321 /nfs/dbraw/zinc/58/43/21/573584321.db2.gz RHUFVBPYJJQTKA-BQYQJAHWSA-N -1 3 187.214 1.410 10 0 ADAEHM CCN1CCC/C(=C(\C)C(=O)[O-])CC1 86716653 573583824 /nfs/dbraw/zinc/58/38/24/573583824.db2.gz WVXMSUBKDQQENZ-KTKRTIGZSA-N -1 3 197.278 1.893 10 0 ADAEHM C/C(C(=O)[O-])=C1\CCCN(C)CC1 86716791 573583850 /nfs/dbraw/zinc/58/38/50/573583850.db2.gz MLSZWOWMVQQWHO-HJWRWDBZSA-N -1 3 183.251 1.503 10 0 ADAEHM CC(C)N1CC/C(=C(\F)C(=O)[O-])C1 86717096 573585800 /nfs/dbraw/zinc/58/58/00/573585800.db2.gz MMFLOHHBFARQFT-BQYQJAHWSA-N -1 3 187.214 1.409 10 0 ADAEHM Cc1ccc([C@H](C)O)c([O-])c1F 258066712 573585865 /nfs/dbraw/zinc/58/58/65/573585865.db2.gz TVNNTSFSPTZKSH-LURJTMIESA-N -1 3 170.183 1.893 10 0 ADAEHM Fc1ccc(-c2nnc(Cl)[n-]2)nc1 86708570 573586304 /nfs/dbraw/zinc/58/63/04/573586304.db2.gz RGJISHIJCHVTKE-UHFFFAOYSA-N -1 3 198.588 1.659 10 0 ADAEHM Fc1ccc(-c2n[n-]c(Cl)n2)nc1 86708570 573586310 /nfs/dbraw/zinc/58/63/10/573586310.db2.gz RGJISHIJCHVTKE-UHFFFAOYSA-N -1 3 198.588 1.659 10 0 ADAEHM Fc1ccc(-c2nc(Cl)n[n-]2)nc1 86708570 573586315 /nfs/dbraw/zinc/58/63/15/573586315.db2.gz RGJISHIJCHVTKE-UHFFFAOYSA-N -1 3 198.588 1.659 10 0 ADAEHM CCCc1ccc([C@H](N)CC(=O)[O-])o1 308405620 573592320 /nfs/dbraw/zinc/59/23/20/573592320.db2.gz NOMSPLWKKVFPPI-MRVPVSSYSA-N -1 3 197.234 1.707 10 0 ADAEHM C[C@H]1Cc2ccccc2[C@]1(N)C(=O)[O-] 107421341 573592819 /nfs/dbraw/zinc/59/28/19/573592819.db2.gz TVZRQWWNRBMWIN-CPCISQLKSA-N -1 3 191.230 1.117 10 0 ADAEHM C[C@H]1CC(=O)Oc2cccc([O-])c21 238455553 573594405 /nfs/dbraw/zinc/59/44/05/573594405.db2.gz MTRSHPDJVWMMPZ-LURJTMIESA-N -1 3 178.187 1.805 10 0 ADAEHM Nc1nnc([N-]c2ccccc2F)o1 236379751 573594609 /nfs/dbraw/zinc/59/46/09/573594609.db2.gz OVQGXPSVLYLGMR-UHFFFAOYSA-N -1 3 194.169 1.535 10 0 ADAEHM CCN(CC)C[C@](C)(F)CC(=O)[O-] 257835964 573598229 /nfs/dbraw/zinc/59/82/29/573598229.db2.gz KRLOPIMKXYOSEK-SECBINFHSA-N -1 3 191.246 1.531 10 0 ADAEHM COC(=O)c1cnc([C@@H]2CCCO2)[n-]1 83714750 573602129 /nfs/dbraw/zinc/60/21/29/573602129.db2.gz WJNICEBUOSZXCA-ZETCQYMHSA-N -1 3 196.206 1.048 10 0 ADAEHM COC(=O)c1c[n-]c([C@@H]2CCCO2)n1 83714750 573602134 /nfs/dbraw/zinc/60/21/34/573602134.db2.gz WJNICEBUOSZXCA-ZETCQYMHSA-N -1 3 196.206 1.048 10 0 ADAEHM O=Cc1ccc2c([O-])cccn12 75544850 573610441 /nfs/dbraw/zinc/61/04/41/573610441.db2.gz WHOVUXOHWZLCKF-UHFFFAOYSA-N -1 3 161.160 1.457 10 0 ADAEHM CC(C)Sc1nc([O-])cs1 142728501 573609842 /nfs/dbraw/zinc/60/98/42/573609842.db2.gz HDLBGOAIDMEFJW-UHFFFAOYSA-N -1 3 175.278 1.757 10 0 ADAEHM C[C@H]1C=C[C@H](C)[C@H]2C(=O)C=C([O-])[C@@H]12 238447627 573610265 /nfs/dbraw/zinc/61/02/65/573610265.db2.gz UBEXOKZKPJGPRB-AGNRWKBWSA-N -1 3 178.231 1.603 10 0 ADAEHM [O-]c1coc2c3c(ccc12)CCO3 82398924 573610361 /nfs/dbraw/zinc/61/03/61/573610361.db2.gz YOEVPFXUPXKELO-UHFFFAOYSA-N -1 3 176.171 1.197 10 0 ADAEHM C[C@]1(c2nc(C=O)n[n-]2)CCCCO1 257837487 573611102 /nfs/dbraw/zinc/61/11/02/573611102.db2.gz ARULEKYPRMMDOS-SECBINFHSA-N -1 3 195.222 1.033 10 0 ADAEHM CC[C@@H](C)NC(=O)[N-]C(=N)SC 142890834 573622457 /nfs/dbraw/zinc/62/24/57/573622457.db2.gz SUQAIIBKWZMIRY-RXMQYKEDSA-N -1 3 189.284 1.382 10 0 ADAEHM C[C@@H]1CC[C@@H](c2nccc(=O)[n-]2)C1 83782766 573628938 /nfs/dbraw/zinc/62/89/38/573628938.db2.gz JCZAFFHLELEAKM-HTQZYQBOSA-N -1 3 178.235 1.674 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2CC[C@@H](C)C2)n1 83782615 573629135 /nfs/dbraw/zinc/62/91/35/573629135.db2.gz MWUUTKKNAPIGJT-VXNVDRBHSA-N -1 3 192.262 1.982 10 0 ADAEHM C[C@H](O)CSc1ncccc1[O-] 75576937 573629158 /nfs/dbraw/zinc/62/91/58/573629158.db2.gz CBGSMAHBKKQGDJ-LURJTMIESA-N -1 3 185.248 1.260 10 0 ADAEHM Cc1cc(C)cc([C@@](C)(N)C(=O)[O-])c1 96554525 573629201 /nfs/dbraw/zinc/62/92/01/573629201.db2.gz HMMHRLOHVDUHBK-LLVKDONJSA-N -1 3 193.246 1.562 10 0 ADAEHM C[C@@H]1CC[C@@H](c2nc([O-])cc(=O)[nH]2)C1 83783023 573629202 /nfs/dbraw/zinc/62/92/02/573629202.db2.gz CUBFYQRQSDZHSF-RNFRBKRXSA-N -1 3 194.234 1.379 10 0 ADAEHM O=C([O-])[C@@H]1CCCN[C@@H]1c1ccco1 107463558 573629498 /nfs/dbraw/zinc/62/94/98/573629498.db2.gz CPZQWCIDMPBSNB-APPZFPTMSA-N -1 3 195.218 1.405 10 0 ADAEHM C[C@@H]1CCc2cc(C=O)c([O-])cc2O1 75580553 573632518 /nfs/dbraw/zinc/63/25/18/573632518.db2.gz PFVUDEBHSCADCB-SSDOTTSWSA-N -1 3 192.214 1.918 10 0 ADAEHM Cc1ccc([O-])c2ccc(=O)oc12 238459772 573632588 /nfs/dbraw/zinc/63/25/88/573632588.db2.gz DWSQPHNPMMPLEM-UHFFFAOYSA-N -1 3 176.171 1.807 10 0 ADAEHM C[C@H]1CCc2cc(C=O)c([O-])cc2O1 75580554 573632600 /nfs/dbraw/zinc/63/26/00/573632600.db2.gz PFVUDEBHSCADCB-ZETCQYMHSA-N -1 3 192.214 1.918 10 0 ADAEHM O=C([O-])CCCN1CCC[C@@H]1CF 393500535 573638253 /nfs/dbraw/zinc/63/82/53/573638253.db2.gz ZIVXFSZKIVXDKA-MRVPVSSYSA-N -1 3 189.230 1.285 10 0 ADAEHM O=C([O-])CCCN1CCC[C@H]1CF 393500536 573638542 /nfs/dbraw/zinc/63/85/42/573638542.db2.gz ZIVXFSZKIVXDKA-QMMMGPOBSA-N -1 3 189.230 1.285 10 0 ADAEHM CC(C)N1CC(C(F)(F)C(=O)[O-])C1 257844991 573638886 /nfs/dbraw/zinc/63/88/86/573638886.db2.gz NJUMGZJZIFSSEI-UHFFFAOYSA-N -1 3 193.193 1.047 10 0 ADAEHM CCOc1ccc2[n-]c(C=O)nc2n1 86830564 573639152 /nfs/dbraw/zinc/63/91/52/573639152.db2.gz SJGVSOZREKLCMV-UHFFFAOYSA-N -1 3 191.190 1.169 10 0 ADAEHM CCOc1ccc2nc(C=O)[n-]c2n1 86830564 573639157 /nfs/dbraw/zinc/63/91/57/573639157.db2.gz SJGVSOZREKLCMV-UHFFFAOYSA-N -1 3 191.190 1.169 10 0 ADAEHM Cc1cc([O-])c(F)c(C[C@@H](C)O)c1 258083354 573656241 /nfs/dbraw/zinc/65/62/41/573656241.db2.gz NIMAPSMVNVMLBK-SSDOTTSWSA-N -1 3 184.210 1.763 10 0 ADAEHM Cc1ccc([O-])c2c1C(F)(F)C(=O)N2 238458776 573656242 /nfs/dbraw/zinc/65/62/42/573656242.db2.gz RQEOUGVPIUZNOZ-UHFFFAOYSA-N -1 3 199.156 1.745 10 0 ADAEHM NOCCc1ccc(Cl)cc1[O-] 258083248 573655568 /nfs/dbraw/zinc/65/55/68/573655568.db2.gz NGZLNBVLRPRXHP-UHFFFAOYSA-N -1 3 187.626 1.478 10 0 ADAEHM N[C@@H](/C=C/c1cccc(F)c1)C(=O)[O-] 257841288 573656032 /nfs/dbraw/zinc/65/60/32/573656032.db2.gz MGKZVALSTYSDAM-MOVJSRMASA-N -1 3 195.193 1.251 10 0 ADAEHM C[C@@H]1CC(=N)c2c([O-])cc(O)cc2O1 238471282 573656135 /nfs/dbraw/zinc/65/61/35/573656135.db2.gz FTSGUAJBQXIDAA-RXMQYKEDSA-N -1 3 193.202 1.637 10 0 ADAEHM Cc1cc([O-])c(F)c(C[C@H](C)O)c1 258083358 573656794 /nfs/dbraw/zinc/65/67/94/573656794.db2.gz NIMAPSMVNVMLBK-ZETCQYMHSA-N -1 3 184.210 1.763 10 0 ADAEHM CN[C@H](c1ccccn1)[C@@H](C)C(=O)[O-] 259542893 573656815 /nfs/dbraw/zinc/65/68/15/573656815.db2.gz VJSOKTMKJOUZQG-APPZFPTMSA-N -1 3 194.234 1.063 10 0 ADAEHM C[C@@H]1C(=O)C=C([O-])C(C)(C)[C@H]1C 238458408 573656876 /nfs/dbraw/zinc/65/68/76/573656876.db2.gz WVRCLHRBZRYLLO-BQBZGAKWSA-N -1 3 168.236 1.827 10 0 ADAEHM C[C@@H]1C([O-])=CC(=O)C(C)(C)[C@H]1C 238458408 573656881 /nfs/dbraw/zinc/65/68/81/573656881.db2.gz WVRCLHRBZRYLLO-BQBZGAKWSA-N -1 3 168.236 1.827 10 0 ADAEHM C[C@H]1[N-]C(=S)O[C@H]1c1ccncc1 238470971 573657004 /nfs/dbraw/zinc/65/70/04/573657004.db2.gz KXNILGFSTMYHFX-HTRCEHHLSA-N -1 3 194.259 1.416 10 0 ADAEHM Cc1ccccc1[C@H](F)[C@@H](N)C(=O)[O-] 257846586 573663738 /nfs/dbraw/zinc/66/37/38/573663738.db2.gz NTQKVRRXLNPKLB-DTWKUNHWSA-N -1 3 197.209 1.418 10 0 ADAEHM Cc1ccc(S(C)(=O)=O)cc1[O-] 238469742 573679731 /nfs/dbraw/zinc/67/97/31/573679731.db2.gz ZBIXDRKSMVLZEC-UHFFFAOYSA-N -1 3 186.232 1.104 10 0 ADAEHM Cc1cc([O-])c(C=O)nc1C 238468964 573682039 /nfs/dbraw/zinc/68/20/39/573682039.db2.gz WPQQURHZBVFXCW-UHFFFAOYSA-N -1 3 151.165 1.217 10 0 ADAEHM O=C([N-]CC(F)(F)C1CC1)C(F)F 308420097 573682861 /nfs/dbraw/zinc/68/28/61/573682861.db2.gz SLJVZBVQZMQFAE-UHFFFAOYSA-N -1 3 199.147 1.413 10 0 ADAEHM Nc1cc(-c2c([O-])cccc2O)no1 258090914 573682067 /nfs/dbraw/zinc/68/20/67/573682067.db2.gz NZWMMEHZLRFCMY-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM Cc1cc(=O)c(C=O)c(C(F)F)[n-]1 238468693 573682446 /nfs/dbraw/zinc/68/24/46/573682446.db2.gz NEYSYEIHQFFIPV-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM Cc1cc(F)c([O-])c(CON)c1 258093298 573682498 /nfs/dbraw/zinc/68/24/98/573682498.db2.gz WZSIWCIVRMHWDN-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM C[C@@H]1[N-]C(=S)O[C@@H]1c1ccncc1 238479279 573686656 /nfs/dbraw/zinc/68/66/56/573686656.db2.gz KXNILGFSTMYHFX-XPUUQOCRSA-N -1 3 194.259 1.416 10 0 ADAEHM C[C@@H]1[N-]C(=S)O[C@@H]1c1ccccn1 238479265 573686723 /nfs/dbraw/zinc/68/67/23/573686723.db2.gz RNGZWEOQDHFJNS-XPUUQOCRSA-N -1 3 194.259 1.416 10 0 ADAEHM CC(=O)c1ccc([O-])c2c1O[C@@H](C)C2 238480959 573697029 /nfs/dbraw/zinc/69/70/29/573697029.db2.gz FSIIMMWQBXBVOQ-LURJTMIESA-N -1 3 192.214 1.918 10 0 ADAEHM Cc1cc([O-])c(F)c(CNO)c1 258086359 573697886 /nfs/dbraw/zinc/69/78/86/573697886.db2.gz WEQCSGCLONLWHU-UHFFFAOYSA-N -1 3 171.171 1.319 10 0 ADAEHM O=c1[n-][nH]c(=S)n1CCC1CC1 83912561 573697977 /nfs/dbraw/zinc/69/79/77/573697977.db2.gz OGCUICYFXJNXJV-UHFFFAOYSA-N -1 3 185.252 1.034 10 0 ADAEHM Cc1ccccc1OC([O-])=NC(N)=O 238482118 573698068 /nfs/dbraw/zinc/69/80/68/573698068.db2.gz KTSLCCDEXLBQTI-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1ccccc1OC(=O)N=C(N)[O-] 238482118 573698078 /nfs/dbraw/zinc/69/80/78/573698078.db2.gz KTSLCCDEXLBQTI-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1ccccc1OC(=O)[N-]C(N)=O 238482118 573698085 /nfs/dbraw/zinc/69/80/85/573698085.db2.gz KTSLCCDEXLBQTI-UHFFFAOYSA-N -1 3 194.190 1.162 10 0 ADAEHM Cc1cc([C@H](N)C(=O)[O-])cc(C)c1C 258088128 573698750 /nfs/dbraw/zinc/69/87/50/573698750.db2.gz NUDIZTNGLDMISW-JTQLQIEISA-N -1 3 193.246 1.696 10 0 ADAEHM Cc1cnc(N2CCCCC2)[n-]c1=O 238482944 573698894 /nfs/dbraw/zinc/69/88/94/573698894.db2.gz WIPBTRIBZFNRAX-UHFFFAOYSA-N -1 3 193.250 1.069 10 0 ADAEHM Cc1ccc(-c2nc([O-])co2)cc1 238477404 573706847 /nfs/dbraw/zinc/70/68/47/573706847.db2.gz RNFJYLPVEYFMCK-UHFFFAOYSA-N -1 3 175.187 1.298 10 0 ADAEHM NOCc1cc(C(F)F)ccc1[O-] 258101128 573711969 /nfs/dbraw/zinc/71/19/69/573711969.db2.gz OWJZNIJKWIEZHP-UHFFFAOYSA-N -1 3 189.161 1.720 10 0 ADAEHM CCn1c(=O)c2c([O-])cccc2n1C 257855019 573714062 /nfs/dbraw/zinc/71/40/62/573714062.db2.gz PTEZSBDXLHHIIN-UHFFFAOYSA-N -1 3 192.218 1.066 10 0 ADAEHM CCn1c([O-])c2c(=O)cccc-2n1C 257855019 573714066 /nfs/dbraw/zinc/71/40/66/573714066.db2.gz PTEZSBDXLHHIIN-UHFFFAOYSA-N -1 3 192.218 1.066 10 0 ADAEHM COc1cc([O-])c(F)c([C@@H](C)O)c1 258101121 573714106 /nfs/dbraw/zinc/71/41/06/573714106.db2.gz OWIHPRUEDNYIJW-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM COC([O-])=NC(=O)CC(C)(C)Cl 224593477 573714112 /nfs/dbraw/zinc/71/41/12/573714112.db2.gz ROZSFVXZTAXWQV-UHFFFAOYSA-N -1 3 193.630 1.277 10 0 ADAEHM O=C([O-])[C@@H]1CN[C@H]1c1ccccc1F 257854213 573714118 /nfs/dbraw/zinc/71/41/18/573714118.db2.gz PPUACBOOWLVOJA-APPZFPTMSA-N -1 3 195.193 1.171 10 0 ADAEHM COC(=O)[N-]C(=O)CC(C)(C)Cl 224593477 573714122 /nfs/dbraw/zinc/71/41/22/573714122.db2.gz ROZSFVXZTAXWQV-UHFFFAOYSA-N -1 3 193.630 1.277 10 0 ADAEHM Cc1cc([O-])c2c(c1)SCC(=O)N2 238492438 573714708 /nfs/dbraw/zinc/71/47/08/573714708.db2.gz XOXDWRJQPPNMOX-UHFFFAOYSA-N -1 3 195.243 1.745 10 0 ADAEHM CC(=O)c1ccc([O-])c2c1O[C@H](C)C2 238492724 573715290 /nfs/dbraw/zinc/71/52/90/573715290.db2.gz FSIIMMWQBXBVOQ-ZCFIWIBFSA-N -1 3 192.214 1.918 10 0 ADAEHM Cc1ccc2c(CN)[n-]c(=O)nc2c1 257852672 573731222 /nfs/dbraw/zinc/73/12/22/573731222.db2.gz PJEJAKXHJDPTAF-UHFFFAOYSA-N -1 3 189.218 1.103 10 0 ADAEHM NOCc1ccc([O-])c(C(F)F)c1 258110922 573731287 /nfs/dbraw/zinc/73/12/87/573731287.db2.gz PPFZAFCNZVURLB-UHFFFAOYSA-N -1 3 189.161 1.720 10 0 ADAEHM C[C@@H]1C(=O)[N-]C(=O)N1C1=CCCCC1 238488128 573731622 /nfs/dbraw/zinc/73/16/22/573731622.db2.gz LLDGVFLCWAUPRV-SSDOTTSWSA-N -1 3 194.234 1.385 10 0 ADAEHM O=C1C=C([O-])C2(CCCCC2)N1 224626648 573732307 /nfs/dbraw/zinc/73/23/07/573732307.db2.gz DKZCFWPHEIPPJB-UHFFFAOYSA-N -1 3 167.208 1.261 10 0 ADAEHM C[C@H](N)C(=O)c1cc([O-])ccc1F 108295497 573739079 /nfs/dbraw/zinc/73/90/79/573739079.db2.gz KRYOIZALXPQERK-YFKPBYRVSA-N -1 3 183.182 1.061 10 0 ADAEHM CC(=O)c1c(F)c([O-])cc2c1OCO2 258113457 573739142 /nfs/dbraw/zinc/73/91/42/573739142.db2.gz PXPXTSMYQSFVKY-UHFFFAOYSA-N -1 3 198.149 1.463 10 0 ADAEHM C[C@H]1CN=C(c2ccc([O-])cc2)O1 143236032 573739230 /nfs/dbraw/zinc/73/92/30/573739230.db2.gz MZNQYRYAOMJFOL-ZETCQYMHSA-N -1 3 177.203 1.558 10 0 ADAEHM N[C@H](C(=O)[O-])c1ccccc1C1CC1 87015113 573739283 /nfs/dbraw/zinc/73/92/83/573739283.db2.gz FUEJHHBQPASIRU-JTQLQIEISA-N -1 3 191.230 1.648 10 0 ADAEHM C[C@@H](N)C(=O)c1cc([O-])ccc1F 108295501 573739451 /nfs/dbraw/zinc/73/94/51/573739451.db2.gz KRYOIZALXPQERK-RXMQYKEDSA-N -1 3 183.182 1.061 10 0 ADAEHM N[C@H](c1ccccc1)[C@@H](F)C(=O)[O-] 143201455 573739649 /nfs/dbraw/zinc/73/96/49/573739649.db2.gz LWGILYFFIDKASG-HTQZYQBOSA-N -1 3 183.182 1.109 10 0 ADAEHM C[C@@H](CO)c1ccc([O-])cc1F 257861131 573744527 /nfs/dbraw/zinc/74/45/27/573744527.db2.gz VPMKSNPREAQXMG-LURJTMIESA-N -1 3 170.183 1.627 10 0 ADAEHM C[C@H](CO)c1ccc([O-])cc1F 257861132 573744581 /nfs/dbraw/zinc/74/45/81/573744581.db2.gz VPMKSNPREAQXMG-ZCFIWIBFSA-N -1 3 170.183 1.627 10 0 ADAEHM O=C([O-])c1cnsc1CNC1CC1 257860567 573746107 /nfs/dbraw/zinc/74/61/07/573746107.db2.gz BVZYWANDYWKVCT-UHFFFAOYSA-N -1 3 198.247 1.093 10 0 ADAEHM C[C@H]1CN(c2ccccc2[O-])C(=O)O1 257873454 573746361 /nfs/dbraw/zinc/74/63/61/573746361.db2.gz UAFRLIWMJMZCGC-ZETCQYMHSA-N -1 3 193.202 1.737 10 0 ADAEHM C[C@H]1CC(=O)N(c2ccccc2[O-])O1 257863887 573746526 /nfs/dbraw/zinc/74/65/26/573746526.db2.gz RQQLDCIVYUHAJP-ZETCQYMHSA-N -1 3 193.202 1.449 10 0 ADAEHM Cc1cc(CCCO)cc([O-])c1F 258115938 573748177 /nfs/dbraw/zinc/74/81/77/573748177.db2.gz QAOSIGGGFPXQON-UHFFFAOYSA-N -1 3 184.210 1.765 10 0 ADAEHM CC(=O)NC(=O)Nc1ccccc1[O-] 238066859 573748288 /nfs/dbraw/zinc/74/82/88/573748288.db2.gz UHKFCYVSAYUSAX-UHFFFAOYSA-N -1 3 194.190 1.060 10 0 ADAEHM Cc1ccc(Cl)c([C@@H](N)C(=O)[O-])c1 108311705 573748390 /nfs/dbraw/zinc/74/83/90/573748390.db2.gz KVTAXZVVKGZLJZ-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM O=C([O-])[C@@H]1Cc2occ3c2[C@H](C1)NC3 98101170 573751052 /nfs/dbraw/zinc/75/10/52/573751052.db2.gz AVEKPNXUJUJCQY-FSPLSTOPSA-N -1 3 193.202 1.071 10 0 ADAEHM Cc1c(O)c(C)c2c([O-])coc2c1C 238497107 573751363 /nfs/dbraw/zinc/75/13/63/573751363.db2.gz IMALPNIXMVBVME-UHFFFAOYSA-N -1 3 192.214 1.893 10 0 ADAEHM CC[C@@H](CC(=O)[O-])Nc1nccn1C 127048515 573754381 /nfs/dbraw/zinc/75/43/81/573754381.db2.gz AAQDVUINGMTTFO-ZETCQYMHSA-N -1 3 197.238 1.085 10 0 ADAEHM Cc1c(C2(C)CC2)[nH]c(=S)[n-]c1=O 238499505 573754484 /nfs/dbraw/zinc/75/44/84/573754484.db2.gz OZZLOVNUOHQYBX-UHFFFAOYSA-N -1 3 196.275 1.792 10 0 ADAEHM CCN1C(=O)CNc2cccc([O-])c21 259184409 573754584 /nfs/dbraw/zinc/75/45/84/573754584.db2.gz JVEATJLUBKLQDB-UHFFFAOYSA-N -1 3 192.218 1.171 10 0 ADAEHM COC(=O)c1nc(-c2ccc[nH]2)c[n-]1 259184394 573754851 /nfs/dbraw/zinc/75/48/51/573754851.db2.gz WIDIZDHMKUBIQR-UHFFFAOYSA-N -1 3 191.190 1.191 10 0 ADAEHM Cn1c2c(c(=O)[n-]c1=S)CCCC2 143450741 573755927 /nfs/dbraw/zinc/75/59/27/573755927.db2.gz VACNUVANMWNIAE-UHFFFAOYSA-N -1 3 196.275 1.322 10 0 ADAEHM CC(C)n1oc(=O)c2ccc([O-])cc21 257867247 573755205 /nfs/dbraw/zinc/75/52/05/573755205.db2.gz SHMRICJSWPOWKM-UHFFFAOYSA-N -1 3 193.202 1.881 10 0 ADAEHM Cn1c(C(=O)[O-])cnc1NC1CCC1 257867246 573755428 /nfs/dbraw/zinc/75/54/28/573755428.db2.gz HGECNMNEWIKWFL-UHFFFAOYSA-N -1 3 195.222 1.083 10 0 ADAEHM CC[C@@H](CC(=O)[O-])Nc1ccncc1 127056920 573756488 /nfs/dbraw/zinc/75/64/88/573756488.db2.gz SCVZEHZVMVEPPP-QMMMGPOBSA-N -1 3 194.234 1.747 10 0 ADAEHM NCc1c[n-]n(C2CCCCC2)c1=O 258119297 573756537 /nfs/dbraw/zinc/75/65/37/573756537.db2.gz WCJSGOVGFLJOOK-UHFFFAOYSA-N -1 3 195.266 1.553 10 0 ADAEHM Cc1c([O-])cc2c(c1O)C(=O)CCC2 238509449 573768236 /nfs/dbraw/zinc/76/82/36/573768236.db2.gz HOOJYHUKACYLIQ-UHFFFAOYSA-N -1 3 192.214 1.925 10 0 ADAEHM Cc1cnc(C(F)F)c([O-])c1CO 238508700 573769445 /nfs/dbraw/zinc/76/94/45/573769445.db2.gz HBNQYBMMQKFTMF-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM C[C@H]1O[C@H]1C(=O)Nc1ccccc1[O-] 238509583 573769589 /nfs/dbraw/zinc/76/95/89/573769589.db2.gz DKRNNYZXQFNOMG-HZGVNTEJSA-N -1 3 193.202 1.118 10 0 ADAEHM Nc1[nH][n-]c(=O)c1-c1cccc(F)c1 258933276 573769943 /nfs/dbraw/zinc/76/99/43/573769943.db2.gz XNOWAGCQMLFFFM-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM NOCCc1c(F)ccc([O-])c1F 258126588 573775419 /nfs/dbraw/zinc/77/54/19/573775419.db2.gz RDVVSUXGPNLCTG-UHFFFAOYSA-N -1 3 189.161 1.103 10 0 ADAEHM N[C@@H](c1nc(C(=O)[O-])cs1)C1CC1 84149651 573782369 /nfs/dbraw/zinc/78/23/69/573782369.db2.gz SCZKPSDWRLZWSA-ZCFIWIBFSA-N -1 3 198.247 1.251 10 0 ADAEHM O=c1[nH][n-]cc1-c1cccc(F)c1 258939766 573782474 /nfs/dbraw/zinc/78/24/74/573782474.db2.gz YAMYSFVFVXWRDP-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM NC1(c2nc(C(=O)[O-])cs2)CCC1 84149706 573782489 /nfs/dbraw/zinc/78/24/89/573782489.db2.gz BLENCKFJCJOCOU-UHFFFAOYSA-N -1 3 198.247 1.179 10 0 ADAEHM [O-]c1ccccc1C(F)(F)CO 257877781 573784192 /nfs/dbraw/zinc/78/41/92/573784192.db2.gz ZRZXDZANGWKLPO-UHFFFAOYSA-N -1 3 174.146 1.476 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)CCC(F)F 308436965 573784361 /nfs/dbraw/zinc/78/43/61/573784361.db2.gz XBQASYCHYFMKKF-LURJTMIESA-N -1 3 195.209 1.878 10 0 ADAEHM COc1n[n-]c(-c2cccs2)n1 87117125 573787271 /nfs/dbraw/zinc/78/72/71/573787271.db2.gz CFJSNUPRLGFAQO-UHFFFAOYSA-N -1 3 181.220 1.542 10 0 ADAEHM C[C@@H]1C(=O)N(C)c2c([O-])cccc21 100285438 573787456 /nfs/dbraw/zinc/78/74/56/573787456.db2.gz IXIDZFNSPOWDIF-LURJTMIESA-N -1 3 177.203 1.472 10 0 ADAEHM CC(C)(C)Nc1cncc([O-])c1 238113894 573787489 /nfs/dbraw/zinc/78/74/89/573787489.db2.gz NCOJAAKUHPNXRQ-UHFFFAOYSA-N -1 3 166.224 1.998 10 0 ADAEHM Cc1ccc2c(C)[nH]nc2c1[O-] 238517383 573787506 /nfs/dbraw/zinc/78/75/06/573787506.db2.gz ASKTVUOZCHABKE-UHFFFAOYSA-N -1 3 162.192 1.885 10 0 ADAEHM CC(C)(C)OCc1cc(=O)[n-]c(N)n1 238114412 573787714 /nfs/dbraw/zinc/78/77/14/573787714.db2.gz OBYZUAAVOXMJEH-UHFFFAOYSA-N -1 3 197.238 1.080 10 0 ADAEHM Cc1ncc2c(c1[O-])CSC2 238520824 573795553 /nfs/dbraw/zinc/79/55/53/573795553.db2.gz VPLCGRQWPOBGNE-UHFFFAOYSA-N -1 3 167.233 1.842 10 0 ADAEHM Cc1ccc(F)c([O-])c1CCON 258133687 573803961 /nfs/dbraw/zinc/80/39/61/573803961.db2.gz RROUGNMPQHLUGP-UHFFFAOYSA-N -1 3 185.198 1.273 10 0 ADAEHM Cc1c(N)c([O-])cc2c1C(=O)CCC2 238515751 573804176 /nfs/dbraw/zinc/80/41/76/573804176.db2.gz SEVBHPMKZJUAKP-UHFFFAOYSA-N -1 3 191.230 1.802 10 0 ADAEHM CN1CC=C(CC(C)(C)C(=O)[O-])CC1 258135632 573805325 /nfs/dbraw/zinc/80/53/25/573805325.db2.gz QBXYPWIXRZAIPG-UHFFFAOYSA-N -1 3 197.278 1.749 10 0 ADAEHM Cc1nccnc1C([O-])=CC=O 394325657 573804698 /nfs/dbraw/zinc/80/46/98/573804698.db2.gz LNTRWLRGUFBJPK-DJWKRKHSSA-N -1 3 164.164 1.039 10 0 ADAEHM COCCc1cn2cccc([O-])c2n1 258132783 573804869 /nfs/dbraw/zinc/80/48/69/573804869.db2.gz ZUEITOOUAZQMNI-UHFFFAOYSA-N -1 3 192.218 1.229 10 0 ADAEHM CC(=O)Oc1ccc2occ([O-])c2c1 238123522 573807674 /nfs/dbraw/zinc/80/76/74/573807674.db2.gz ZDASJKYELQBFLI-UHFFFAOYSA-N -1 3 192.170 1.187 10 0 ADAEHM Cc1ccc(CCCO)c([O-])c1F 258138705 573807934 /nfs/dbraw/zinc/80/79/34/573807934.db2.gz SHBCLTPKCJWNNJ-UHFFFAOYSA-N -1 3 184.210 1.765 10 0 ADAEHM CN[C@@H](c1ccc(C)o1)[C@@H](C)C(=O)[O-] 259196011 573810535 /nfs/dbraw/zinc/81/05/35/573810535.db2.gz FDSJVRWYGOLXFO-VXNVDRBHSA-N -1 3 197.234 1.569 10 0 ADAEHM [O-]c1cccn2c(C3CC3)ncc12 258139067 573810563 /nfs/dbraw/zinc/81/05/63/573810563.db2.gz HHQHZAJJPPBGQY-UHFFFAOYSA-N -1 3 174.203 1.917 10 0 ADAEHM CC(=O)Cc1ccc2occ([O-])c2c1 238139546 573823796 /nfs/dbraw/zinc/82/37/96/573823796.db2.gz BIPNVUJDVHBIAS-UHFFFAOYSA-N -1 3 190.198 1.393 10 0 ADAEHM Cc1nnsc1[N-]c1ccccn1 238525518 573826094 /nfs/dbraw/zinc/82/60/94/573826094.db2.gz UHWWCWSEMPUDPE-UHFFFAOYSA-N -1 3 192.247 1.985 10 0 ADAEHM Cc1nc2c(c(=O)[n-]1)CCCCN2 238526065 573826739 /nfs/dbraw/zinc/82/67/39/573826739.db2.gz GRYJKVFEFBRQKU-UHFFFAOYSA-N -1 3 179.223 1.239 10 0 ADAEHM Cc1nc(-n2cccc2)cc(=O)[n-]1 238526616 573832136 /nfs/dbraw/zinc/83/21/36/573832136.db2.gz SSUMXNQHIVWGSL-UHFFFAOYSA-N -1 3 175.191 1.281 10 0 ADAEHM Cc1cc([C@@H](C)CO)cc([O-])c1F 258143091 573832308 /nfs/dbraw/zinc/83/23/08/573832308.db2.gz STOZJDOMKIULCO-ZETCQYMHSA-N -1 3 184.210 1.936 10 0 ADAEHM Cc1c(CN)cnc(C(F)F)c1[O-] 238533430 573835613 /nfs/dbraw/zinc/83/56/13/573835613.db2.gz SMLZCTYUKMJCSM-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM Cc1c(C(F)F)[n-]cc(C=O)c1=O 238534120 573837976 /nfs/dbraw/zinc/83/79/76/573837976.db2.gz WXPBNXPTTCDGSZ-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM CC(C)[N-]C(=S)C(=O)C(C)C 238158251 573841895 /nfs/dbraw/zinc/84/18/95/573841895.db2.gz FSGOZZCZZVXXDM-UHFFFAOYSA-N -1 3 173.281 1.537 10 0 ADAEHM Cc1cccc([O-])c1C(O)=S 238534949 573841989 /nfs/dbraw/zinc/84/19/89/573841989.db2.gz QQEDEYMQTYAUFS-UHFFFAOYSA-N -1 3 168.217 1.934 10 0 ADAEHM C[C@@]1(c2nnc(Cl)[n-]2)CCCO1 87229468 573842242 /nfs/dbraw/zinc/84/22/42/573842242.db2.gz IDFKMXXQISHGJQ-ZETCQYMHSA-N -1 3 187.630 1.484 10 0 ADAEHM C[C@@]1(c2n[n-]c(Cl)n2)CCCO1 87229468 573842248 /nfs/dbraw/zinc/84/22/48/573842248.db2.gz IDFKMXXQISHGJQ-ZETCQYMHSA-N -1 3 187.630 1.484 10 0 ADAEHM C[C@@]1(c2nc(Cl)n[n-]2)CCCO1 87229468 573842254 /nfs/dbraw/zinc/84/22/54/573842254.db2.gz IDFKMXXQISHGJQ-ZETCQYMHSA-N -1 3 187.630 1.484 10 0 ADAEHM CCc1ccc(C)c([C@H](N)C(=O)[O-])c1 258158079 573847623 /nfs/dbraw/zinc/84/76/23/573847623.db2.gz UVNIUVBRMBCRPA-JTQLQIEISA-N -1 3 193.246 1.642 10 0 ADAEHM C[C@H]1Cc2ccc([O-])cc2OC1=O 153802067 573861811 /nfs/dbraw/zinc/86/18/11/573861811.db2.gz PIOJZOLSPWPUKP-LURJTMIESA-N -1 3 178.187 1.490 10 0 ADAEHM C=C[C@H](C)N1CC([C@H](C)C(=O)[O-])C1 130128425 573862185 /nfs/dbraw/zinc/86/21/85/573862185.db2.gz QOKROUWXNGVNHS-YUMQZZPRSA-N -1 3 183.251 1.213 10 0 ADAEHM Cc1cscc1-c1nccc(=O)[n-]1 87287837 573864954 /nfs/dbraw/zinc/86/49/54/573864954.db2.gz DBZAELPNZSJSHO-UHFFFAOYSA-N -1 3 192.243 1.807 10 0 ADAEHM C[C@@H](C[C@H](N)c1ccccn1)C(=O)[O-] 259215849 573865063 /nfs/dbraw/zinc/86/50/63/573865063.db2.gz GQLVDYDBQXZGCG-YUMQZZPRSA-N -1 3 194.234 1.192 10 0 ADAEHM C[C@H](C[C@@H](N)c1ccccn1)C(=O)[O-] 259215841 573865902 /nfs/dbraw/zinc/86/59/02/573865902.db2.gz GQLVDYDBQXZGCG-HTQZYQBOSA-N -1 3 194.234 1.192 10 0 ADAEHM C[C@H](C[C@H](N)c1ccccn1)C(=O)[O-] 259215845 573866159 /nfs/dbraw/zinc/86/61/59/573866159.db2.gz GQLVDYDBQXZGCG-SFYZADRCSA-N -1 3 194.234 1.192 10 0 ADAEHM CC(=O)Cc1cc(C)c(F)c([O-])c1 258165637 573866358 /nfs/dbraw/zinc/86/63/58/573866358.db2.gz VIUNESJSMRCEQU-UHFFFAOYSA-N -1 3 182.194 1.971 10 0 ADAEHM Cc1cc([O-])cc(C(=O)CN)c1Cl 214998262 573866620 /nfs/dbraw/zinc/86/66/20/573866620.db2.gz PNONEPDBPCNJCJ-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM C[C@H](C(=O)[O-])[C@H](c1ccc[nH]1)N(C)C 259575679 573866835 /nfs/dbraw/zinc/86/68/35/573866835.db2.gz PMUFJUPFMOVOAY-IONNQARKSA-N -1 3 196.250 1.338 10 0 ADAEHM C[C@@H](C(=O)[O-])[C@H](c1ccc[nH]1)N(C)C 259575680 573866851 /nfs/dbraw/zinc/86/68/51/573866851.db2.gz PMUFJUPFMOVOAY-VXNVDRBHSA-N -1 3 196.250 1.338 10 0 ADAEHM Cc1cc(Cl)c([O-])cc1C(=O)CN 214998116 573867002 /nfs/dbraw/zinc/86/70/02/573867002.db2.gz LCTCHIRXVKFQJI-UHFFFAOYSA-N -1 3 199.637 1.495 10 0 ADAEHM C[C@H](C(=O)[O-])[C@@H](c1ccc[nH]1)N(C)C 259575678 573867032 /nfs/dbraw/zinc/86/70/32/573867032.db2.gz PMUFJUPFMOVOAY-CBAPKCEASA-N -1 3 196.250 1.338 10 0 ADAEHM O=C1N=NC(c2ccc(Cl)cn2)[N-]1 87286523 573867249 /nfs/dbraw/zinc/86/72/49/573867249.db2.gz SBUUYBLEBULBTP-UHFFFAOYSA-N -1 3 196.597 1.226 10 0 ADAEHM c1ccc([N-]c2cnns2)nc1 238540634 573867314 /nfs/dbraw/zinc/86/73/14/573867314.db2.gz RAWVUMVRIJLHGA-UHFFFAOYSA-N -1 3 178.220 1.677 10 0 ADAEHM Cc1cn(-c2ccccc2[O-])c(=O)[nH]1 238551735 573875858 /nfs/dbraw/zinc/87/58/58/573875858.db2.gz VQOGWEVXMVHYCL-UHFFFAOYSA-N -1 3 190.202 1.180 10 0 ADAEHM Cc1ncc(C(C)(C)C)c(=O)[n-]1 258518767 573878442 /nfs/dbraw/zinc/87/84/42/573878442.db2.gz LLFXCICYTVJQQA-UHFFFAOYSA-N -1 3 166.224 1.788 10 0 ADAEHM CCC1(C(=O)[N-]OC)CCCC1 87317528 573884486 /nfs/dbraw/zinc/88/44/86/573884486.db2.gz DIGNWIHEQLASDT-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM CCn1[n-]c(=O)c2cccc(OC)c21 257893896 573886347 /nfs/dbraw/zinc/88/63/47/573886347.db2.gz XRFNJWUKFUUXRJ-UHFFFAOYSA-N -1 3 192.218 1.358 10 0 ADAEHM C[C@@H](F)[C@](N)(C(=O)[O-])C(C)(C)C 257894757 573890473 /nfs/dbraw/zinc/89/04/73/573890473.db2.gz NYZDTTDDWNBHMV-XRGYYRRGSA-N -1 3 177.219 1.173 10 0 ADAEHM C[C@H](F)[C@@](N)(C(=O)[O-])C(C)(C)C 257894758 573890613 /nfs/dbraw/zinc/89/06/13/573890613.db2.gz NYZDTTDDWNBHMV-YLWLKBPMSA-N -1 3 177.219 1.173 10 0 ADAEHM Cc1[n-]n(CCO)c(=O)c1C(C)C 102411715 573899059 /nfs/dbraw/zinc/89/90/59/573899059.db2.gz LXLISGKBEVHMRU-UHFFFAOYSA-N -1 3 184.239 1.013 10 0 ADAEHM CCCc1cn2cccc([O-])c2n1 257902892 573901543 /nfs/dbraw/zinc/90/15/43/573901543.db2.gz GACXNHGCFOEYGE-UHFFFAOYSA-N -1 3 176.219 1.992 10 0 ADAEHM CN[C@@H](/C=C/C(=O)[O-])c1ccccc1 259230176 573901641 /nfs/dbraw/zinc/90/16/41/573901641.db2.gz GKKXRPDRBNGUDO-JARNTUPDSA-N -1 3 191.230 1.588 10 0 ADAEHM CN[C@H](SC1CCCC1)C(=O)[O-] 259225459 573901691 /nfs/dbraw/zinc/90/16/91/573901691.db2.gz MTCYDPGWFOSPQK-SSDOTTSWSA-N -1 3 189.280 1.292 10 0 ADAEHM CC(=O)c1cccc2c(=O)[nH][n-]c12 257903933 573903424 /nfs/dbraw/zinc/90/34/24/573903424.db2.gz PKAHINUJOBSHKB-UHFFFAOYSA-N -1 3 176.175 1.059 10 0 ADAEHM CN[C@@H](SC1CCCC1)C(=O)[O-] 259225461 573902723 /nfs/dbraw/zinc/90/27/23/573902723.db2.gz MTCYDPGWFOSPQK-ZETCQYMHSA-N -1 3 189.280 1.292 10 0 ADAEHM CC(C)Cn1[n-]c2c(c1=O)[C@@H](C)NC2 258178213 573903126 /nfs/dbraw/zinc/90/31/26/573903126.db2.gz UTGCUSRTYAEXGF-SSDOTTSWSA-N -1 3 195.266 1.409 10 0 ADAEHM CC(C)Cn1[n-]c2c(c1=O)[C@H](C)NC2 258178214 573907408 /nfs/dbraw/zinc/90/74/08/573907408.db2.gz UTGCUSRTYAEXGF-ZETCQYMHSA-N -1 3 195.266 1.409 10 0 ADAEHM Cc1cc2c(o1)CNC[C@H]2CC(=O)[O-] 76636333 573914434 /nfs/dbraw/zinc/91/44/34/573914434.db2.gz CENDPIDQDCQGRY-SSDOTTSWSA-N -1 3 195.218 1.250 10 0 ADAEHM C[C@H](c1ccc(C(=O)[O-])n1C)N(C)C 257898116 573914550 /nfs/dbraw/zinc/91/45/50/573914550.db2.gz YFKMCKBZINVJPL-SSDOTTSWSA-N -1 3 196.250 1.346 10 0 ADAEHM Cc1nc([C@@H]2CCCN2)c(C(=O)[O-])o1 258180497 573914986 /nfs/dbraw/zinc/91/49/86/573914986.db2.gz VAPIQFNFBMKKFK-LURJTMIESA-N -1 3 196.206 1.106 10 0 ADAEHM C[C@]1(c2ccco2)CC[C@H](C(=O)[O-])N1 76636345 573915112 /nfs/dbraw/zinc/91/51/12/573915112.db2.gz RFVNOQUEFXGSDR-GMSGAONNSA-N -1 3 195.218 1.331 10 0 ADAEHM N[C@H](CC(=O)[O-])Sc1ccccc1 259237771 573915184 /nfs/dbraw/zinc/91/51/84/573915184.db2.gz NRZPWQQYPJOBTB-QMMMGPOBSA-N -1 3 197.259 1.538 10 0 ADAEHM N[C@@H](CC(=O)[O-])Sc1ccccc1 259237769 573915562 /nfs/dbraw/zinc/91/55/62/573915562.db2.gz NRZPWQQYPJOBTB-MRVPVSSYSA-N -1 3 197.259 1.538 10 0 ADAEHM C[C@@H](c1ccc(C(=O)[O-])n1C)N(C)C 257898119 573915585 /nfs/dbraw/zinc/91/55/85/573915585.db2.gz YFKMCKBZINVJPL-ZETCQYMHSA-N -1 3 196.250 1.346 10 0 ADAEHM CCc1oc(=O)[n-]c1C(F)(F)F 257901431 573927172 /nfs/dbraw/zinc/92/71/72/573927172.db2.gz OYHWDKGVNDXAMM-UHFFFAOYSA-N -1 3 181.113 1.961 10 0 ADAEHM C[C@@H]1Nc2cccc([O-])c2N(C)C1=O 259241230 573926787 /nfs/dbraw/zinc/92/67/87/573926787.db2.gz NCEAFTYKVBFVJL-LURJTMIESA-N -1 3 192.218 1.169 10 0 ADAEHM CCC1(CC)CN(C/C=C\C(=O)[O-])C1 308465668 573933996 /nfs/dbraw/zinc/93/39/96/573933996.db2.gz GLTNUGOISUZKHM-WAYWQWQTSA-N -1 3 197.278 1.749 10 0 ADAEHM C[C@@H]1C[C@]1(C(=O)[O-])C1CCN(C)CC1 259020412 573937817 /nfs/dbraw/zinc/93/78/17/573937817.db2.gz PPJFMVRVBDDCJE-LDYMZIIASA-N -1 3 197.278 1.439 10 0 ADAEHM C[C@H]1C[C@@]1(C(=O)[O-])C1CCN(C)CC1 259020409 573937903 /nfs/dbraw/zinc/93/79/03/573937903.db2.gz PPJFMVRVBDDCJE-KWQFWETISA-N -1 3 197.278 1.439 10 0 ADAEHM CCCc1cc(=O)[n-]c(C2(C)CC2)n1 87548729 573941010 /nfs/dbraw/zinc/94/10/10/573941010.db2.gz DCINOPAOMFVIHZ-UHFFFAOYSA-N -1 3 192.262 1.774 10 0 ADAEHM CCC(=O)Nc1c([O-])cc(C)oc1=O 238214885 573941234 /nfs/dbraw/zinc/94/12/34/573941234.db2.gz OOVKEQIWJCCRBG-UHFFFAOYSA-N -1 3 197.190 1.002 10 0 ADAEHM CCc1nc(C2(C)CC2)[n-]c(=O)c1C 87548757 573941747 /nfs/dbraw/zinc/94/17/47/573941747.db2.gz DSWNXFDLGOCPLG-UHFFFAOYSA-N -1 3 192.262 1.692 10 0 ADAEHM Cc1nc(-c2cncs2)[nH]c1[O-] 235837646 573946621 /nfs/dbraw/zinc/94/66/21/573946621.db2.gz DGEISTXHELQBLN-UHFFFAOYSA-N -1 3 181.220 1.547 10 0 ADAEHM [O-]c1cnn(-c2cccs2)c1 257915486 573947624 /nfs/dbraw/zinc/94/76/24/573947624.db2.gz JJKWDKKKGURXCA-UHFFFAOYSA-N -1 3 166.205 1.639 10 0 ADAEHM COc1c(F)cc(C=O)c(C)c1[O-] 257913938 573947840 /nfs/dbraw/zinc/94/78/40/573947840.db2.gz QQICNSJGDYVDFT-UHFFFAOYSA-N -1 3 184.166 1.661 10 0 ADAEHM CC1(C)CC2(C)[C@H]3C(=O)C1=C([O-])[C@H]32 238204579 573948222 /nfs/dbraw/zinc/94/82/22/573948222.db2.gz ZHALHCCVYWPQMW-OLCXYEJGSA-N -1 3 178.231 1.437 10 0 ADAEHM C[C@H](CC(=O)[O-])N(C)Cc1ccoc1 42448419 573951985 /nfs/dbraw/zinc/95/19/85/573951985.db2.gz OZEGEYDNQHZOSL-MRVPVSSYSA-N -1 3 197.234 1.575 10 0 ADAEHM CCC(=O)[N-]C(=O)c1ccc(C)cc1 238208327 573952348 /nfs/dbraw/zinc/95/23/48/573952348.db2.gz MBKQUWGKMDJEQK-UHFFFAOYSA-N -1 3 191.230 1.661 10 0 ADAEHM CCc1c(C)nc(CC2CC2)[n-]c1=O 87580507 573952505 /nfs/dbraw/zinc/95/25/05/573952505.db2.gz PXTWGDKHUVGSKK-UHFFFAOYSA-N -1 3 192.262 1.593 10 0 ADAEHM CCc1cc(=O)[n-]c(CC2CC2)n1 87580499 573955530 /nfs/dbraw/zinc/95/55/30/573955530.db2.gz XSEYEXQMAOWJDV-UHFFFAOYSA-N -1 3 178.235 1.285 10 0 ADAEHM O=c1[n-]c(CC2CC2)nc2c1CCC2 87580508 573955588 /nfs/dbraw/zinc/95/55/88/573955588.db2.gz OVQWVVCTFSACJI-UHFFFAOYSA-N -1 3 190.246 1.211 10 0 ADAEHM CCn1c(=O)[nH]c2cccc([O-])c21 257912739 573955616 /nfs/dbraw/zinc/95/56/16/573955616.db2.gz MKRJCPSSDODZKP-UHFFFAOYSA-N -1 3 178.191 1.055 10 0 ADAEHM CC(C)c1cc(=O)[n-]c(CC2CC2)n1 87580501 573956019 /nfs/dbraw/zinc/95/60/19/573956019.db2.gz MELXCQCVULUGSZ-UHFFFAOYSA-N -1 3 192.262 1.846 10 0 ADAEHM O=C1N=C(c2ccc([O-])cc2)CO1 257922316 573963395 /nfs/dbraw/zinc/96/33/95/573963395.db2.gz RQQWQNDEUNVUNR-UHFFFAOYSA-N -1 3 177.159 1.753 10 0 ADAEHM O=C(c1c[n-]nn1)C1CCCCC1 87598606 573965515 /nfs/dbraw/zinc/96/55/15/573965515.db2.gz MWNYOOMSINSRGO-UHFFFAOYSA-N -1 3 179.223 1.568 10 0 ADAEHM O=C(c1cn[n-]n1)C1CCCCC1 87598606 573965521 /nfs/dbraw/zinc/96/55/21/573965521.db2.gz MWNYOOMSINSRGO-UHFFFAOYSA-N -1 3 179.223 1.568 10 0 ADAEHM Cc1ccc(F)c([O-])c1C[C@H](C)O 258192030 573965641 /nfs/dbraw/zinc/96/56/41/573965641.db2.gz XNYADEUPTFBLJJ-ZETCQYMHSA-N -1 3 184.210 1.763 10 0 ADAEHM O=C(CC1CCCCC1)c1cnn[n-]1 87598611 573965787 /nfs/dbraw/zinc/96/57/87/573965787.db2.gz QGLULOBHYULBJY-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM O=C(CC1CCCCC1)c1c[n-]nn1 87598611 573965788 /nfs/dbraw/zinc/96/57/88/573965788.db2.gz QGLULOBHYULBJY-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM O=C(CC1CCCCC1)c1cn[n-]n1 87598611 573965789 /nfs/dbraw/zinc/96/57/89/573965789.db2.gz QGLULOBHYULBJY-UHFFFAOYSA-N -1 3 193.250 1.958 10 0 ADAEHM Cc1cc(C(=O)c2cnn[n-]2)cs1 87598586 573965792 /nfs/dbraw/zinc/96/57/92/573965792.db2.gz OHTGHQGUDLPJAD-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1cc(C(=O)c2c[n-]nn2)cs1 87598586 573965794 /nfs/dbraw/zinc/96/57/94/573965794.db2.gz OHTGHQGUDLPJAD-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM Cc1cc(C(=O)c2cn[n-]n2)cs1 87598586 573965798 /nfs/dbraw/zinc/96/57/98/573965798.db2.gz OHTGHQGUDLPJAD-UHFFFAOYSA-N -1 3 193.231 1.406 10 0 ADAEHM [O-]c1ccc(CNO)c2cccnc12 258194331 573976633 /nfs/dbraw/zinc/97/66/33/573976633.db2.gz XSDICNMALXNTMJ-UHFFFAOYSA-N -1 3 190.202 1.419 10 0 ADAEHM CCC(=O)Oc1ccc([O-])c(F)c1 238221756 573976680 /nfs/dbraw/zinc/97/66/80/573976680.db2.gz CLCSOOSFXQXBJQ-UHFFFAOYSA-N -1 3 184.166 1.847 10 0 ADAEHM [O-]c1ccc(-c2c[nH]cn2)c(F)c1 104399263 573976839 /nfs/dbraw/zinc/97/68/39/573976839.db2.gz XRPIHSCPWZHHSR-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM CC1(C)CN=C(c2cccc([O-])c2)O1 238224739 573985605 /nfs/dbraw/zinc/98/56/05/573985605.db2.gz IUUHMZBQTQKGKF-UHFFFAOYSA-N -1 3 191.230 1.948 10 0 ADAEHM [O-]c1ccc(-c2ncc[nH]2)c(F)c1 104464467 573991040 /nfs/dbraw/zinc/99/10/40/573991040.db2.gz HZBFFOYDPZKSKF-UHFFFAOYSA-N -1 3 178.166 1.921 10 0 ADAEHM [O-]c1cc(O)ccc1-c1ncc[nH]1 104467747 573991259 /nfs/dbraw/zinc/99/12/59/573991259.db2.gz YFFUVMSCARLGNQ-UHFFFAOYSA-N -1 3 176.175 1.488 10 0 ADAEHM CCc1c(O)cccc1[C@@H](N)C(=O)[O-] 104475477 573995907 /nfs/dbraw/zinc/99/59/07/573995907.db2.gz PXMMGIDPXVXSHO-SECBINFHSA-N -1 3 195.218 1.039 10 0 ADAEHM COc1cc([C@@H](N)C(=O)[O-])ccc1C 104473627 573995361 /nfs/dbraw/zinc/99/53/61/573995361.db2.gz NDDRAMDLNVFKBX-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM CCOC(=O)c1cc2nocc2[n-]1 259591109 573995411 /nfs/dbraw/zinc/99/54/11/573995411.db2.gz BZHNWYTWDIKUKQ-UHFFFAOYSA-N -1 3 180.163 1.333 10 0 ADAEHM CCOC(=O)c1cc2[n-]occ-2n1 259591109 573995416 /nfs/dbraw/zinc/99/54/16/573995416.db2.gz BZHNWYTWDIKUKQ-UHFFFAOYSA-N -1 3 180.163 1.333 10 0 ADAEHM COc1ccc(C)c([C@@H](N)C(=O)[O-])c1 104474603 573995675 /nfs/dbraw/zinc/99/56/75/573995675.db2.gz RXNKSQZPIKMJQM-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1cccc(C)c1[C@@H](N)C(=O)[O-] 104474609 573995853 /nfs/dbraw/zinc/99/58/53/573995853.db2.gz MOZDIGOCJNPRLY-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM CCc1c(O)cccc1[C@H](N)C(=O)[O-] 104483865 574001073 /nfs/dbraw/zinc/00/10/73/574001073.db2.gz PXMMGIDPXVXSHO-VIFPVBQESA-N -1 3 195.218 1.039 10 0 ADAEHM COc1c(CO)ccc(Cl)c1[O-] 258198750 574001386 /nfs/dbraw/zinc/00/13/86/574001386.db2.gz YCESHANIIJRGIS-UHFFFAOYSA-N -1 3 188.610 1.547 10 0 ADAEHM CCc1cc(O)ccc1[C@@H](N)C(=O)[O-] 104476330 574001590 /nfs/dbraw/zinc/00/15/90/574001590.db2.gz WXXKSXJIYXUQGB-SECBINFHSA-N -1 3 195.218 1.039 10 0 ADAEHM Cc1cc([O-])c(Cl)c(CCO)c1 258198719 574001657 /nfs/dbraw/zinc/00/16/57/574001657.db2.gz YAYQIRYWAYUDOB-UHFFFAOYSA-N -1 3 186.638 1.889 10 0 ADAEHM Cc1csc([C@](C)(N)C(=O)[O-])c1 104486494 574005677 /nfs/dbraw/zinc/00/56/77/574005677.db2.gz SPSMLNHSFATMGL-QMMMGPOBSA-N -1 3 185.248 1.315 10 0 ADAEHM CCc1cc(O)ccc1[C@H](N)C(=O)[O-] 104485183 574005700 /nfs/dbraw/zinc/00/57/00/574005700.db2.gz WXXKSXJIYXUQGB-VIFPVBQESA-N -1 3 195.218 1.039 10 0 ADAEHM Cc1cc(C2(O)CC2)c(F)cc1[O-] 258201077 574005841 /nfs/dbraw/zinc/00/58/41/574005841.db2.gz YJMBEBVOMDDEAA-UHFFFAOYSA-N -1 3 182.194 1.821 10 0 ADAEHM CCC(=O)c1cccc(C=O)c1[O-] 238245491 574006000 /nfs/dbraw/zinc/00/60/00/574006000.db2.gz LNEAPIMQYSWIIK-UHFFFAOYSA-N -1 3 178.187 1.797 10 0 ADAEHM Cc1cc([C@](C)(N)C(=O)[O-])sc1C 104491003 574008063 /nfs/dbraw/zinc/00/80/63/574008063.db2.gz TWKKVDAEVPFUGF-VIFPVBQESA-N -1 3 199.275 1.623 10 0 ADAEHM Cc1ccsc1[C@](C)(N)C(=O)[O-] 104491240 574007666 /nfs/dbraw/zinc/00/76/66/574007666.db2.gz LEQQWXNSFSVFGF-QMMMGPOBSA-N -1 3 185.248 1.315 10 0 ADAEHM Cc1c(F)cccc1[C@](C)(N)C(=O)[O-] 104492041 574007710 /nfs/dbraw/zinc/00/77/10/574007710.db2.gz BDWNSYHAUVGTHK-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM N[C@@H]1COc2c1cc([O-])c(F)c2F 104489660 574007724 /nfs/dbraw/zinc/00/77/24/574007724.db2.gz NAVSITCUJYHDSX-SCSAIBSYSA-N -1 3 187.145 1.063 10 0 ADAEHM CCC[C@@H]1CCC(=O)C=C1[O-] 111334403 574007809 /nfs/dbraw/zinc/00/78/09/574007809.db2.gz WWLVJBISOZBFCG-SSDOTTSWSA-N -1 3 154.209 1.725 10 0 ADAEHM CCC[C@@H]1CCC([O-])=CC1=O 111334403 574007813 /nfs/dbraw/zinc/00/78/13/574007813.db2.gz WWLVJBISOZBFCG-SSDOTTSWSA-N -1 3 154.209 1.725 10 0 ADAEHM C=Cc1ccccc1[C@@](C)(N)C(=O)[O-] 104491962 574007821 /nfs/dbraw/zinc/00/78/21/574007821.db2.gz NAYGWDGJIAALEW-LLVKDONJSA-N -1 3 191.230 1.588 10 0 ADAEHM Cc1ccsc1[C@@](C)(N)C(=O)[O-] 104491243 574008223 /nfs/dbraw/zinc/00/82/23/574008223.db2.gz LEQQWXNSFSVFGF-MRVPVSSYSA-N -1 3 185.248 1.315 10 0 ADAEHM N[C@@H]1COc2c1cc(F)c([O-])c2F 104491450 574008461 /nfs/dbraw/zinc/00/84/61/574008461.db2.gz QEOLRYONQQOBNJ-RXMQYKEDSA-N -1 3 187.145 1.063 10 0 ADAEHM CC(=O)[C@@H](N)c1ccc([O-])cc1Cl 104492593 574008520 /nfs/dbraw/zinc/00/85/20/574008520.db2.gz NFJHUSMLZUQJTA-SECBINFHSA-N -1 3 199.637 1.634 10 0 ADAEHM Cc1cc([C@](C)(N)C(=O)[O-])cs1 104491251 574008528 /nfs/dbraw/zinc/00/85/28/574008528.db2.gz XMNOIKNHTHXLFO-QMMMGPOBSA-N -1 3 185.248 1.315 10 0 ADAEHM Cc1cccc(Cl)c1[C@@H](N)C(=O)[O-] 104494008 574008550 /nfs/dbraw/zinc/00/85/50/574008550.db2.gz AEHKXFVIGWAPFR-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM Cc1cc([C@@](C)(N)C(=O)[O-])cs1 104491256 574008581 /nfs/dbraw/zinc/00/85/81/574008581.db2.gz XMNOIKNHTHXLFO-MRVPVSSYSA-N -1 3 185.248 1.315 10 0 ADAEHM O=c1ccnc([C@H]2CCCCS2)[n-]1 87700664 574018478 /nfs/dbraw/zinc/01/84/78/574018478.db2.gz KWKTZOKCBHEOGC-SSDOTTSWSA-N -1 3 196.275 1.728 10 0 ADAEHM O=c1ccnc([C@@H]2CCCCS2)[n-]1 87700662 574018645 /nfs/dbraw/zinc/01/86/45/574018645.db2.gz KWKTZOKCBHEOGC-ZETCQYMHSA-N -1 3 196.275 1.728 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2CCCS2)n1 87700622 574018858 /nfs/dbraw/zinc/01/88/58/574018858.db2.gz ZPKQKZXCJXCIIQ-ZETCQYMHSA-N -1 3 196.275 1.646 10 0 ADAEHM COc1ccc(CO)c(F)c1[O-] 104511148 574023799 /nfs/dbraw/zinc/02/37/99/574023799.db2.gz QEFXMGVWKDBIMI-UHFFFAOYSA-N -1 3 172.155 1.032 10 0 ADAEHM CC1(C)CCc2nc(N)[n-]c(=O)c2C1 143802806 574032730 /nfs/dbraw/zinc/03/27/30/574032730.db2.gz UBGVQXGCWNVZIU-UHFFFAOYSA-N -1 3 193.250 1.279 10 0 ADAEHM COc1nc2ccc(C)cc2c(=O)[n-]1 143837424 574033201 /nfs/dbraw/zinc/03/32/01/574033201.db2.gz HGCWXMQGVKCDDF-UHFFFAOYSA-N -1 3 190.202 1.240 10 0 ADAEHM CC1(C)CCCc2c1nc(N)[n-]c2=O 143801117 574033636 /nfs/dbraw/zinc/03/36/36/574033636.db2.gz YSSFKZFCKPAUKP-UHFFFAOYSA-N -1 3 193.250 1.378 10 0 ADAEHM CC(=O)[N-]C(=O)Oc1ccccc1 143840514 574033748 /nfs/dbraw/zinc/03/37/48/574033748.db2.gz HRXJEJZFJIFTPO-UHFFFAOYSA-N -1 3 179.175 1.322 10 0 ADAEHM CN(N=O)c1ccc(O)cc1[O-] 143732547 574033840 /nfs/dbraw/zinc/03/38/40/574033840.db2.gz MHPLCRQZLRQPCW-UHFFFAOYSA-N -1 3 168.152 1.215 10 0 ADAEHM [O-]c1cccc2c1O2 112977539 574044455 /nfs/dbraw/zinc/04/44/55/574044455.db2.gz CZFIZADONNUIFV-UHFFFAOYSA-N -1 3 108.096 1.498 10 0 ADAEHM Cc1ccc2c(c1[O-])O2 112977535 574044957 /nfs/dbraw/zinc/04/49/57/574044957.db2.gz YUOCSKPDSHAWSO-UHFFFAOYSA-N -1 3 122.123 1.806 10 0 ADAEHM CSc1[n-]c(=NN)ncc1Cl 87892457 574048234 /nfs/dbraw/zinc/04/82/34/574048234.db2.gz URHVZHCWYSACMZ-UHFFFAOYSA-N -1 3 190.659 1.138 10 0 ADAEHM CSc1nc(=NN)[n-]cc1Cl 87892457 574048235 /nfs/dbraw/zinc/04/82/35/574048235.db2.gz URHVZHCWYSACMZ-UHFFFAOYSA-N -1 3 190.659 1.138 10 0 ADAEHM CCSc1[n-]c(=NN)ncc1F 87889826 574048389 /nfs/dbraw/zinc/04/83/89/574048389.db2.gz BRPQKYWDIUWNRV-UHFFFAOYSA-N -1 3 188.231 1.013 10 0 ADAEHM CCSc1nc(=NN)[n-]cc1F 87889826 574048390 /nfs/dbraw/zinc/04/83/90/574048390.db2.gz BRPQKYWDIUWNRV-UHFFFAOYSA-N -1 3 188.231 1.013 10 0 ADAEHM CC(C)[C@@H](C)Oc1cc[n-]c(=NN)n1 87892663 574048396 /nfs/dbraw/zinc/04/83/96/574048396.db2.gz RNLKCOMVPNKUSF-SSDOTTSWSA-N -1 3 196.254 1.186 10 0 ADAEHM CCC(C)(C)Oc1cc[n-]c(=NN)n1 87877254 574048430 /nfs/dbraw/zinc/04/84/30/574048430.db2.gz LPKNYRHRLXFSEV-UHFFFAOYSA-N -1 3 196.254 1.330 10 0 ADAEHM CC[C@@H](C)Sc1ccnc(=NN)[n-]1 87889690 574048489 /nfs/dbraw/zinc/04/84/89/574048489.db2.gz CWWNWYVMRFYIQI-ZCFIWIBFSA-N -1 3 198.295 1.653 10 0 ADAEHM NN=c1nc(OC2CCCC2)cc[n-]1 87877504 574048492 /nfs/dbraw/zinc/04/84/92/574048492.db2.gz DJAZWNBSKFZCHH-UHFFFAOYSA-N -1 3 194.238 1.084 10 0 ADAEHM CC[C@H](C)Sc1ccnc(=NN)[n-]1 87889691 574048559 /nfs/dbraw/zinc/04/85/59/574048559.db2.gz CWWNWYVMRFYIQI-LURJTMIESA-N -1 3 198.295 1.653 10 0 ADAEHM CCc1cc(=O)[n-]c(C(C)C)n1 36755164 517841628 /nfs/dbraw/zinc/84/16/28/517841628.db2.gz LZTZKVPEWIJRRI-UHFFFAOYSA-N -1 3 166.224 1.456 10 0 ADAEHM CC(C)(C)OC(=O)c1cncc([O-])c1 82671087 518862803 /nfs/dbraw/zinc/86/28/03/518862803.db2.gz UKXVCIVPYACUOT-UHFFFAOYSA-N -1 3 195.218 1.743 10 0 ADAEHM O=c1cc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc[n-]1 306728884 629675617 /nfs/dbraw/zinc/67/56/17/629675617.db2.gz CDHAUFGSXANUOJ-RNLVFQAGSA-N -1 3 191.234 1.393 10 0 ADAEHM CO[N-]C(=O)Cc1ccsc1C 306453726 629701602 /nfs/dbraw/zinc/70/16/02/629701602.db2.gz YNVBIXWOTOPRSC-UHFFFAOYSA-N -1 3 185.248 1.277 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CCC(F)(F)C1 307583645 629784065 /nfs/dbraw/zinc/78/40/65/629784065.db2.gz ZIOUEHHKGFXYMW-ZCFIWIBFSA-N -1 3 193.193 1.490 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CCC(F)(F)C1 307583644 629786184 /nfs/dbraw/zinc/78/61/84/629786184.db2.gz ZIOUEHHKGFXYMW-LURJTMIESA-N -1 3 193.193 1.490 10 0 ADAEHM CCO[N-]C(=O)C[C@@H](C)C1CC1 308137073 629836604 /nfs/dbraw/zinc/83/66/04/629836604.db2.gz DZGJRJTYZFWZAI-SSDOTTSWSA-N -1 3 171.240 1.490 10 0 ADAEHM CN1C(=O)OCc2cccc([O-])c21 75568978 523722790 /nfs/dbraw/zinc/72/27/90/523722790.db2.gz BQXHTQTWWBDBMI-UHFFFAOYSA-N -1 3 179.175 1.479 10 0 ADAEHM CN1CCCc2cc(C=O)c([O-])cc21 82889332 523860400 /nfs/dbraw/zinc/86/04/00/523860400.db2.gz LDDMHBOGCQNXKA-UHFFFAOYSA-N -1 3 191.230 1.587 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CCC[C@H]1C 306474145 630113662 /nfs/dbraw/zinc/11/36/62/630113662.db2.gz FQDYBSIQSPGTKD-HTQZYQBOSA-N -1 3 171.240 1.490 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CCC[C@@H]1C 306474148 630114778 /nfs/dbraw/zinc/11/47/78/630114778.db2.gz FQDYBSIQSPGTKD-YUMQZZPRSA-N -1 3 171.240 1.490 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CCC[C@@H]1C 306474146 630114813 /nfs/dbraw/zinc/11/48/13/630114813.db2.gz FQDYBSIQSPGTKD-JGVFFNPUSA-N -1 3 171.240 1.490 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CCC[C@H]1C 306474147 630116916 /nfs/dbraw/zinc/11/69/16/630116916.db2.gz FQDYBSIQSPGTKD-SFYZADRCSA-N -1 3 171.240 1.490 10 0 ADAEHM CO[N-]C(=O)CC1CC(C)(C)C1 306505833 630119819 /nfs/dbraw/zinc/11/98/19/630119819.db2.gz UNJAYKXAMOFOGQ-UHFFFAOYSA-N -1 3 171.240 1.490 10 0 ADAEHM CCC(=O)[N-]OC1CCCCC1 307001879 630140591 /nfs/dbraw/zinc/14/05/91/630140591.db2.gz CEMHLKLHGFCDOP-UHFFFAOYSA-N -1 3 171.240 1.777 10 0 ADAEHM Cc1[n-]n(CC(C)(C)C)c(=O)c1F 307247656 630157149 /nfs/dbraw/zinc/15/71/49/630157149.db2.gz HRFOQDNZPVWRRT-SSDOTTSWSA-N -1 3 186.230 1.589 10 0 ADAEHM Cc1[n-]n(CC(C)(C)C)c(=O)c1F 307247658 630157836 /nfs/dbraw/zinc/15/78/36/630157836.db2.gz HRFOQDNZPVWRRT-ZETCQYMHSA-N -1 3 186.230 1.589 10 0 ADAEHM CO[N-]C(=O)CC1(C)CCCC1 307583733 630172083 /nfs/dbraw/zinc/17/20/83/630172083.db2.gz ZPVQDMMWNWSGBQ-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM CC(C)C(=O)[N-]OC/C=C/Cl 307557806 630172932 /nfs/dbraw/zinc/17/29/32/630172932.db2.gz CEAPPZUAYXLUQU-ONEGZZNKSA-N -1 3 177.631 1.443 10 0 ADAEHM CO[N-]C(=O)[C@H](C)CC(C)C 307733594 630187758 /nfs/dbraw/zinc/18/77/58/630187758.db2.gz SCZSHRGBPZQSJV-SSDOTTSWSA-N -1 3 159.229 1.346 10 0 ADAEHM CO[N-]C(=O)[C@@H](C)CC(C)C 307733598 630188572 /nfs/dbraw/zinc/18/85/72/630188572.db2.gz SCZSHRGBPZQSJV-ZETCQYMHSA-N -1 3 159.229 1.346 10 0 ADAEHM CCCO[N-]C(=O)C1(C2CC2)CC1 898089664 630398618 /nfs/dbraw/zinc/39/86/18/630398618.db2.gz AEFSPSQISSGYLK-UHFFFAOYSA-N -1 3 183.251 1.634 10 0 ADAEHM C[C@@H]1C[C@@H]1NCc1cc(C(=O)[O-])co1 128690804 630747761 /nfs/dbraw/zinc/74/77/61/630747761.db2.gz FJFKWMQHBCKERJ-MUWHJKNJSA-N -1 3 195.218 1.476 10 0 ADAEHM CC[C@H](C)CO[N-]C(=O)CCF 908347792 630762978 /nfs/dbraw/zinc/76/29/78/630762978.db2.gz LULQWICTRIIKTJ-ZETCQYMHSA-N -1 3 177.219 1.440 10 0 ADAEHM CC[C@@H](C)CO[N-]C(=O)CCF 908347791 630763786 /nfs/dbraw/zinc/76/37/86/630763786.db2.gz LULQWICTRIIKTJ-SSDOTTSWSA-N -1 3 177.219 1.440 10 0 ADAEHM O=C(CCF)[N-]OC/C=C\Cl 908315532 630763820 /nfs/dbraw/zinc/76/38/20/630763820.db2.gz ZMDMYMHSANVRSU-IWQZZHSRSA-N -1 3 181.594 1.146 10 0 ADAEHM O=C(CCF)[N-]OC/C=C/Cl 908315524 630764811 /nfs/dbraw/zinc/76/48/11/630764811.db2.gz ZMDMYMHSANVRSU-HNQUOIGGSA-N -1 3 181.594 1.146 10 0 ADAEHM O=C(CCF)[N-]OCCC1CC1 908383610 630766679 /nfs/dbraw/zinc/76/66/79/630766679.db2.gz KHYIPPQUIDSIFA-UHFFFAOYSA-N -1 3 175.203 1.194 10 0 ADAEHM C[C@H](SCCc1nnn[n-]1)C1CC1 917858498 630802313 /nfs/dbraw/zinc/80/23/13/630802313.db2.gz GCOCIICPDJPOHB-LURJTMIESA-N -1 3 198.295 1.274 10 0 ADAEHM C[C@H](SCCc1nn[n-]n1)C1CC1 917858498 630802318 /nfs/dbraw/zinc/80/23/18/630802318.db2.gz GCOCIICPDJPOHB-LURJTMIESA-N -1 3 198.295 1.274 10 0 ADAEHM C[C@@H](SCCc1nnn[n-]1)C1CC1 917858499 630804087 /nfs/dbraw/zinc/80/40/87/630804087.db2.gz GCOCIICPDJPOHB-ZCFIWIBFSA-N -1 3 198.295 1.274 10 0 ADAEHM C[C@@H](SCCc1nn[n-]n1)C1CC1 917858499 630804091 /nfs/dbraw/zinc/80/40/91/630804091.db2.gz GCOCIICPDJPOHB-ZCFIWIBFSA-N -1 3 198.295 1.274 10 0 ADAEHM O=C(CCF)[N-]OCC1CCC1 912724424 630824305 /nfs/dbraw/zinc/82/43/05/630824305.db2.gz GWKWEDFKPAAIDK-UHFFFAOYSA-N -1 3 175.203 1.194 10 0 ADAEHM CC1(CNc2cc(=O)[n-]cn2)CCC1 233035746 630826125 /nfs/dbraw/zinc/82/61/25/630826125.db2.gz LPPLWAGFJDULIS-UHFFFAOYSA-N -1 3 193.250 1.372 10 0 ADAEHM CCN(C)Cc1cccc(C(=O)[O-])n1 233425015 630828333 /nfs/dbraw/zinc/82/83/33/630828333.db2.gz NEVITTJTNZYOMC-UHFFFAOYSA-N -1 3 194.234 1.232 10 0 ADAEHM Cc1nc(N[C@H](C)C(C)C)cc(=O)[n-]1 165162839 630838324 /nfs/dbraw/zinc/83/83/24/630838324.db2.gz WYAPLZUIOHTYGE-SSDOTTSWSA-N -1 3 195.266 1.947 10 0 ADAEHM Cc1nc(N[C@@H](C)C(C)C)cc(=O)[n-]1 165162730 630840226 /nfs/dbraw/zinc/84/02/26/630840226.db2.gz WYAPLZUIOHTYGE-ZETCQYMHSA-N -1 3 195.266 1.947 10 0 ADAEHM CO[N-]C(=O)C[C@H](C)c1cccnc1 734422947 630851252 /nfs/dbraw/zinc/85/12/52/630851252.db2.gz HUGMOGLJGYSZJI-QMMMGPOBSA-N -1 3 194.234 1.253 10 0 ADAEHM CO[N-]C(=O)C[C@@H](C)c1cccnc1 734422946 630853398 /nfs/dbraw/zinc/85/33/98/630853398.db2.gz HUGMOGLJGYSZJI-MRVPVSSYSA-N -1 3 194.234 1.253 10 0 ADAEHM CC([O-])=C(F)C(=O)OC(C)(C)C 197925477 630859464 /nfs/dbraw/zinc/85/94/64/630859464.db2.gz DTKCGRZNXMELPE-ZCFIWIBFSA-N -1 3 176.187 1.255 10 0 ADAEHM CC([O-])=C(F)C(=O)OC(C)(C)C 197925472 630860934 /nfs/dbraw/zinc/86/09/34/630860934.db2.gz DTKCGRZNXMELPE-LURJTMIESA-N -1 3 176.187 1.255 10 0 ADAEHM CCCCN([O-])C(=O)CC 199607958 630862882 /nfs/dbraw/zinc/86/28/82/630862882.db2.gz FTFZJLICVNGAEY-UHFFFAOYSA-N -1 3 145.202 1.414 10 0 ADAEHM CCNC(=O)c1c([O-])cccc1OC 170248403 630863438 /nfs/dbraw/zinc/86/34/38/630863438.db2.gz GYXZACSEEHLMSO-UHFFFAOYSA-N -1 3 195.218 1.151 10 0 ADAEHM CC(C)[C@@H](C)OC(=O)c1cnn[n-]1 849777053 630968466 /nfs/dbraw/zinc/96/84/66/630968466.db2.gz SPSHJTKCLATWBJ-ZCFIWIBFSA-N -1 3 183.211 1.006 10 0 ADAEHM CC(C)[C@@H](C)OC(=O)c1c[n-]nn1 849777053 630968473 /nfs/dbraw/zinc/96/84/73/630968473.db2.gz SPSHJTKCLATWBJ-ZCFIWIBFSA-N -1 3 183.211 1.006 10 0 ADAEHM CC(C)[C@H](C)OC(=O)c1cnn[n-]1 849777050 630969010 /nfs/dbraw/zinc/96/90/10/630969010.db2.gz SPSHJTKCLATWBJ-LURJTMIESA-N -1 3 183.211 1.006 10 0 ADAEHM CC(C)[C@H](C)OC(=O)c1c[n-]nn1 849777050 630969012 /nfs/dbraw/zinc/96/90/12/630969012.db2.gz SPSHJTKCLATWBJ-LURJTMIESA-N -1 3 183.211 1.006 10 0 ADAEHM CC(=O)COC(=O)c1ccc([O-])cc1 34618896 631071444 /nfs/dbraw/zinc/07/14/44/631071444.db2.gz BGPAUSMKKCXLJU-UHFFFAOYSA-N -1 3 194.186 1.138 10 0 ADAEHM CCO[N-]C(=O)C[C@@H]1CC=CCC1 929711969 631098848 /nfs/dbraw/zinc/09/88/48/631098848.db2.gz IPCLHBDVZJLXHP-SECBINFHSA-N -1 3 183.251 1.801 10 0 ADAEHM CCO[N-]C(=O)C[C@H]1CC=CCC1 929711970 631099074 /nfs/dbraw/zinc/09/90/74/631099074.db2.gz IPCLHBDVZJLXHP-VIFPVBQESA-N -1 3 183.251 1.801 10 0 ADAEHM CCO[N-]C(=O)CCC1(C)CC1 929711256 631099152 /nfs/dbraw/zinc/09/91/52/631099152.db2.gz DEGLZFOAUCCAEJ-UHFFFAOYSA-N -1 3 171.240 1.634 10 0 ADAEHM CCO[N-]C(=O)C1(C)CC=CC1 929711247 631100280 /nfs/dbraw/zinc/10/02/80/631100280.db2.gz CYWAYSFTAMAZEK-UHFFFAOYSA-N -1 3 169.224 1.410 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 929855203 631103342 /nfs/dbraw/zinc/10/33/42/631103342.db2.gz PYORWDFXJQMCRN-IUCAKERBSA-N -1 3 199.250 1.012 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CC[C@H](C2CC2)O1 929855199 631103351 /nfs/dbraw/zinc/10/33/51/631103351.db2.gz PYORWDFXJQMCRN-DTWKUNHWSA-N -1 3 199.250 1.012 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CC[C@@H](C2CC2)O1 929855196 631103960 /nfs/dbraw/zinc/10/39/60/631103960.db2.gz PYORWDFXJQMCRN-BDAKNGLRSA-N -1 3 199.250 1.012 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CC[C@H](C2CC2)O1 929855208 631104341 /nfs/dbraw/zinc/10/43/41/631104341.db2.gz PYORWDFXJQMCRN-RKDXNWHRSA-N -1 3 199.250 1.012 10 0 ADAEHM CCCCCCN([O-])C(C)=O 115301418 631172014 /nfs/dbraw/zinc/17/20/14/631172014.db2.gz CFSNWERBQRUZAI-UHFFFAOYSA-N -1 3 159.229 1.804 10 0 ADAEHM C[C@@H]1C[C@H]1NC(=O)c1ccccc1[O-] 52293335 525497807 /nfs/dbraw/zinc/49/78/07/525497807.db2.gz ICAMKMKJMFQQSB-VXNVDRBHSA-N -1 3 191.230 1.530 10 0 ADAEHM COC(=O)Cc1ccc(F)cc1[O-] 201356195 1224211481 /nfs/dbraw/zinc/21/14/81/1224211481.db2.gz KEPHDBNKTBNLGF-UHFFFAOYSA-N -1 3 184.166 1.247 10 0 ADAEHM CC(C)C[C@@H](C)Oc1cc(=O)[n-]cn1 232617937 1224235128 /nfs/dbraw/zinc/23/51/28/1224235128.db2.gz LTCZOFFAEWYQDS-MRVPVSSYSA-N -1 3 196.250 1.583 10 0 ADAEHM CC(C)[C@H](C)Oc1cc(=O)[n-]cn1 232729908 1224235196 /nfs/dbraw/zinc/23/51/96/1224235196.db2.gz CWJZEENZCXNINH-ZETCQYMHSA-N -1 3 182.223 1.193 10 0 ADAEHM CC(C)[C@@H](C)Oc1cc(=O)[n-]cn1 232690409 1224235250 /nfs/dbraw/zinc/23/52/50/1224235250.db2.gz CWJZEENZCXNINH-SSDOTTSWSA-N -1 3 182.223 1.193 10 0 ADAEHM Cc1nc(O[C@H](C)C(C)C)cc(=O)[n-]1 232691568 1224235636 /nfs/dbraw/zinc/23/56/36/1224235636.db2.gz QCWXHIMEKJZYBN-SSDOTTSWSA-N -1 3 196.250 1.914 10 0 ADAEHM Cc1nc(O[C@@H](C)C(C)C)cc(=O)[n-]1 232730748 1224235931 /nfs/dbraw/zinc/23/59/31/1224235931.db2.gz QCWXHIMEKJZYBN-ZETCQYMHSA-N -1 3 196.250 1.914 10 0 ADAEHM Cc1nnc(-c2c([O-])cccc2O)o1 306760295 1224272695 /nfs/dbraw/zinc/27/26/95/1224272695.db2.gz ABGYQULTKXGSLJ-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM Cn1cnc(-c2cc(F)ccc2[O-])c1 307454939 1224284169 /nfs/dbraw/zinc/28/41/69/1224284169.db2.gz ZJOSXJGHFCFZLP-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM CC(C)O[N-]C(=O)CC(C)(C)C 382068552 1224319789 /nfs/dbraw/zinc/31/97/89/1224319789.db2.gz FEZHBPXRYDUEHA-UHFFFAOYSA-N -1 3 173.256 1.879 10 0 ADAEHM C[C@@H](Nc1cc(=O)[n-]cn1)C1(C)CC1 606266791 1224348712 /nfs/dbraw/zinc/34/87/12/1224348712.db2.gz WYPRORBVIJNQNJ-SSDOTTSWSA-N -1 3 193.250 1.783 10 0 ADAEHM C[C@H](Nc1cc(=O)[n-]cn1)C1(C)CC1 606266794 1224348951 /nfs/dbraw/zinc/34/89/51/1224348951.db2.gz WYPRORBVIJNQNJ-ZETCQYMHSA-N -1 3 193.250 1.783 10 0 ADAEHM CC(C)O[N-]C(=O)C1(CCF)CC1 1326573609 1224435123 /nfs/dbraw/zinc/43/51/23/1224435123.db2.gz NUHMIILWOPDWBS-UHFFFAOYSA-N -1 3 189.230 1.582 10 0 ADAEHM COCCCCC(=O)[N-]OC(C)C 1468465207 1224478940 /nfs/dbraw/zinc/47/89/40/1224478940.db2.gz UWBZFZZZPJJNLQ-UHFFFAOYSA-N -1 3 189.255 1.259 10 0 ADAEHM O=C([N-]c1ccsn1)c1cnco1 1644285743 1224511157 /nfs/dbraw/zinc/51/11/57/1224511157.db2.gz YZFGKOALNAZJEG-UHFFFAOYSA-N -1 3 195.203 1.383 10 0 ADAEHM [O-]c1cncc(N2CCCCC2)c1 72192829 526375324 /nfs/dbraw/zinc/37/53/24/526375324.db2.gz PRARFGSUHVDDGV-UHFFFAOYSA-N -1 3 178.235 1.778 10 0 ADAEHM O=C1CCCCN1c1ccccc1[O-] 75580119 526971901 /nfs/dbraw/zinc/97/19/01/526971901.db2.gz GWHIEQINYYIZSW-UHFFFAOYSA-N -1 3 191.230 1.909 10 0 ADAEHM O=C1OCc2ccccc2N1[O-] 211850635 527099780 /nfs/dbraw/zinc/09/97/80/527099780.db2.gz RCPLXIXUWKMJLJ-UHFFFAOYSA-N -1 3 165.148 1.532 10 0 ADAEHM O=C([O-])c1cc2c(cc1F)CCNC2 675073594 537789941 /nfs/dbraw/zinc/78/99/41/537789941.db2.gz MCUPXLXCSCDHJK-UHFFFAOYSA-N -1 3 195.193 1.170 10 0 ADAEHM Cn1ccc(-c2ccc(O)cc2[O-])n1 675076722 537794918 /nfs/dbraw/zinc/79/49/18/537794918.db2.gz YWLCISHWFXFYLE-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM CC(=O)NCCc1cc([O-])cc(F)c1 685946866 537818404 /nfs/dbraw/zinc/81/84/04/537818404.db2.gz DOAWSSPLWVITCN-UHFFFAOYSA-N -1 3 197.209 1.210 10 0 ADAEHM CCCCCc1[n-]nnc1C(=O)OC 685952654 537834402 /nfs/dbraw/zinc/83/44/02/537834402.db2.gz BLLMKXWCRPPQGT-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCCCc1nn[n-]c1C(=O)OC 685952654 537834410 /nfs/dbraw/zinc/83/44/10/537834410.db2.gz BLLMKXWCRPPQGT-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCCCc1n[n-]nc1C(=O)OC 685952654 537834414 /nfs/dbraw/zinc/83/44/14/537834414.db2.gz BLLMKXWCRPPQGT-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCC[C@@H](C)c1[n-]nnc1C(=O)OC 685952875 537835989 /nfs/dbraw/zinc/83/59/89/537835989.db2.gz DTWUQOAATNHHQV-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCC[C@@H](C)c1nn[n-]c1C(=O)OC 685952875 537835997 /nfs/dbraw/zinc/83/59/97/537835997.db2.gz DTWUQOAATNHHQV-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCC[C@@H](C)c1n[n-]nc1C(=O)OC 685952875 537836007 /nfs/dbraw/zinc/83/60/07/537836007.db2.gz DTWUQOAATNHHQV-ZCFIWIBFSA-N -1 3 197.238 1.495 10 0 ADAEHM CCC[C@H](C)c1[n-]nnc1C(=O)OC 685952873 537838406 /nfs/dbraw/zinc/83/84/06/537838406.db2.gz DTWUQOAATNHHQV-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCC[C@H](C)c1nn[n-]c1C(=O)OC 685952873 537838412 /nfs/dbraw/zinc/83/84/12/537838412.db2.gz DTWUQOAATNHHQV-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM CCC[C@H](C)c1n[n-]nc1C(=O)OC 685952873 537838417 /nfs/dbraw/zinc/83/84/17/537838417.db2.gz DTWUQOAATNHHQV-LURJTMIESA-N -1 3 197.238 1.495 10 0 ADAEHM COC(=O)c1nn[n-]c1[C@@H](C)C1CC1 685953191 537839033 /nfs/dbraw/zinc/83/90/33/537839033.db2.gz HHZALIAASWEGIE-YFKPBYRVSA-N -1 3 195.222 1.105 10 0 ADAEHM COC(=O)c1[n-]nnc1[C@@H](C)C1CC1 685953191 537839041 /nfs/dbraw/zinc/83/90/41/537839041.db2.gz HHZALIAASWEGIE-YFKPBYRVSA-N -1 3 195.222 1.105 10 0 ADAEHM COC(=O)c1n[n-]nc1[C@@H](C)C1CC1 685953191 537839047 /nfs/dbraw/zinc/83/90/47/537839047.db2.gz HHZALIAASWEGIE-YFKPBYRVSA-N -1 3 195.222 1.105 10 0 ADAEHM COC(=O)c1nn[n-]c1C1(C)CCC1 685953366 537839764 /nfs/dbraw/zinc/83/97/64/537839764.db2.gz JFUMLWXAKWNIBH-UHFFFAOYSA-N -1 3 195.222 1.033 10 0 ADAEHM COC(=O)c1[n-]nnc1C1(C)CCC1 685953366 537839773 /nfs/dbraw/zinc/83/97/73/537839773.db2.gz JFUMLWXAKWNIBH-UHFFFAOYSA-N -1 3 195.222 1.033 10 0 ADAEHM COC(=O)c1n[n-]nc1C1(C)CCC1 685953366 537839789 /nfs/dbraw/zinc/83/97/89/537839789.db2.gz JFUMLWXAKWNIBH-UHFFFAOYSA-N -1 3 195.222 1.033 10 0 ADAEHM CC[C@@H](C)Cc1[n-]nnc1C(=O)OC 685953355 537840138 /nfs/dbraw/zinc/84/01/38/537840138.db2.gz IZPUBDMRYIZBHN-ZCFIWIBFSA-N -1 3 197.238 1.180 10 0 ADAEHM CC[C@@H](C)Cc1nn[n-]c1C(=O)OC 685953355 537840149 /nfs/dbraw/zinc/84/01/49/537840149.db2.gz IZPUBDMRYIZBHN-ZCFIWIBFSA-N -1 3 197.238 1.180 10 0 ADAEHM CC[C@@H](C)Cc1n[n-]nc1C(=O)OC 685953355 537840154 /nfs/dbraw/zinc/84/01/54/537840154.db2.gz IZPUBDMRYIZBHN-ZCFIWIBFSA-N -1 3 197.238 1.180 10 0 ADAEHM COC(=O)c1nn[n-]c1[C@H](C)C1CC1 685953190 537840406 /nfs/dbraw/zinc/84/04/06/537840406.db2.gz HHZALIAASWEGIE-RXMQYKEDSA-N -1 3 195.222 1.105 10 0 ADAEHM COC(=O)c1[n-]nnc1[C@H](C)C1CC1 685953190 537840410 /nfs/dbraw/zinc/84/04/10/537840410.db2.gz HHZALIAASWEGIE-RXMQYKEDSA-N -1 3 195.222 1.105 10 0 ADAEHM COC(=O)c1n[n-]nc1[C@H](C)C1CC1 685953190 537840415 /nfs/dbraw/zinc/84/04/15/537840415.db2.gz HHZALIAASWEGIE-RXMQYKEDSA-N -1 3 195.222 1.105 10 0 ADAEHM CC[C@H](C)Cc1[n-]nnc1C(=O)OC 685953354 537841275 /nfs/dbraw/zinc/84/12/75/537841275.db2.gz IZPUBDMRYIZBHN-LURJTMIESA-N -1 3 197.238 1.180 10 0 ADAEHM CC[C@H](C)Cc1nn[n-]c1C(=O)OC 685953354 537841283 /nfs/dbraw/zinc/84/12/83/537841283.db2.gz IZPUBDMRYIZBHN-LURJTMIESA-N -1 3 197.238 1.180 10 0 ADAEHM CC[C@H](C)Cc1n[n-]nc1C(=O)OC 685953354 537841288 /nfs/dbraw/zinc/84/12/88/537841288.db2.gz IZPUBDMRYIZBHN-LURJTMIESA-N -1 3 197.238 1.180 10 0 ADAEHM CCc1[n-]nnc1C(=O)OC(C)(C)C 685953245 537842449 /nfs/dbraw/zinc/84/24/49/537842449.db2.gz JVIYICGCLWQUFO-UHFFFAOYSA-N -1 3 197.238 1.322 10 0 ADAEHM CCc1nn[n-]c1C(=O)OC(C)(C)C 685953245 537842455 /nfs/dbraw/zinc/84/24/55/537842455.db2.gz JVIYICGCLWQUFO-UHFFFAOYSA-N -1 3 197.238 1.322 10 0 ADAEHM CCc1n[n-]nc1C(=O)OC(C)(C)C 685953245 537842463 /nfs/dbraw/zinc/84/24/63/537842463.db2.gz JVIYICGCLWQUFO-UHFFFAOYSA-N -1 3 197.238 1.322 10 0 ADAEHM CCC(CC)c1[n-]nnc1C(=O)OC 685953978 537844038 /nfs/dbraw/zinc/84/40/38/537844038.db2.gz PPBJNWHZTWKCED-UHFFFAOYSA-N -1 3 197.238 1.495 10 0 ADAEHM CCC(CC)c1nn[n-]c1C(=O)OC 685953978 537844043 /nfs/dbraw/zinc/84/40/43/537844043.db2.gz PPBJNWHZTWKCED-UHFFFAOYSA-N -1 3 197.238 1.495 10 0 ADAEHM CCC(CC)c1n[n-]nc1C(=O)OC 685953978 537844051 /nfs/dbraw/zinc/84/40/51/537844051.db2.gz PPBJNWHZTWKCED-UHFFFAOYSA-N -1 3 197.238 1.495 10 0 ADAEHM COC(=O)c1nn[n-]c1CCC(C)C 685953927 537844366 /nfs/dbraw/zinc/84/43/66/537844366.db2.gz OYAIIUJGDPUARK-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM COC(=O)c1[n-]nnc1CCC(C)C 685953927 537844371 /nfs/dbraw/zinc/84/43/71/537844371.db2.gz OYAIIUJGDPUARK-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM COC(=O)c1n[n-]nc1CCC(C)C 685953927 537844378 /nfs/dbraw/zinc/84/43/78/537844378.db2.gz OYAIIUJGDPUARK-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM CCOC(=O)c1nn[n-]c1[C@@H]1C[C@@H]1C 685954594 537847355 /nfs/dbraw/zinc/84/73/55/537847355.db2.gz ULTOYBRTJUHWIT-NTSWFWBYSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1[n-]nnc1[C@@H]1C[C@@H]1C 685954594 537847366 /nfs/dbraw/zinc/84/73/66/537847366.db2.gz ULTOYBRTJUHWIT-NTSWFWBYSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]nc1[C@@H]1C[C@@H]1C 685954594 537847371 /nfs/dbraw/zinc/84/73/71/537847371.db2.gz ULTOYBRTJUHWIT-NTSWFWBYSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nn[n-]c1[C@@H]1C[C@H]1C 685954596 537848422 /nfs/dbraw/zinc/84/84/22/537848422.db2.gz ULTOYBRTJUHWIT-PHDIDXHHSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1[n-]nnc1[C@@H]1C[C@H]1C 685954596 537848427 /nfs/dbraw/zinc/84/84/27/537848427.db2.gz ULTOYBRTJUHWIT-PHDIDXHHSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]nc1[C@@H]1C[C@H]1C 685954596 537848433 /nfs/dbraw/zinc/84/84/33/537848433.db2.gz ULTOYBRTJUHWIT-PHDIDXHHSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nn[n-]c1[C@H]1C[C@H]1C 685954598 537848489 /nfs/dbraw/zinc/84/84/89/537848489.db2.gz ULTOYBRTJUHWIT-RITPCOANSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1[n-]nnc1[C@H]1C[C@H]1C 685954598 537848495 /nfs/dbraw/zinc/84/84/95/537848495.db2.gz ULTOYBRTJUHWIT-RITPCOANSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]nc1[C@H]1C[C@H]1C 685954598 537848499 /nfs/dbraw/zinc/84/84/99/537848499.db2.gz ULTOYBRTJUHWIT-RITPCOANSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1nn[n-]c1[C@H]1C[C@@H]1C 685954602 537849005 /nfs/dbraw/zinc/84/90/05/537849005.db2.gz ULTOYBRTJUHWIT-WDSKDSINSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1[n-]nnc1[C@H]1C[C@@H]1C 685954602 537849011 /nfs/dbraw/zinc/84/90/11/537849011.db2.gz ULTOYBRTJUHWIT-WDSKDSINSA-N -1 3 195.222 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]nc1[C@H]1C[C@@H]1C 685954602 537849016 /nfs/dbraw/zinc/84/90/16/537849016.db2.gz ULTOYBRTJUHWIT-WDSKDSINSA-N -1 3 195.222 1.105 10 0 ADAEHM CCCCc1[n-]nnc1C(=O)OCC 685954592 537849674 /nfs/dbraw/zinc/84/96/74/537849674.db2.gz ULJYTBTYTLVKMQ-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCCc1nn[n-]c1C(=O)OCC 685954592 537849681 /nfs/dbraw/zinc/84/96/81/537849681.db2.gz ULJYTBTYTLVKMQ-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CCCCc1n[n-]nc1C(=O)OCC 685954592 537849689 /nfs/dbraw/zinc/84/96/89/537849689.db2.gz ULJYTBTYTLVKMQ-UHFFFAOYSA-N -1 3 197.238 1.324 10 0 ADAEHM CC[C@H](C)c1[n-]nnc1C(=O)OC 685955062 537851480 /nfs/dbraw/zinc/85/14/80/537851480.db2.gz ZQZWVBNANJSVFJ-YFKPBYRVSA-N -1 3 183.211 1.105 10 0 ADAEHM CC[C@H](C)c1nn[n-]c1C(=O)OC 685955062 537851482 /nfs/dbraw/zinc/85/14/82/537851482.db2.gz ZQZWVBNANJSVFJ-YFKPBYRVSA-N -1 3 183.211 1.105 10 0 ADAEHM CC[C@H](C)c1n[n-]nc1C(=O)OC 685955062 537851486 /nfs/dbraw/zinc/85/14/86/537851486.db2.gz ZQZWVBNANJSVFJ-YFKPBYRVSA-N -1 3 183.211 1.105 10 0 ADAEHM CC[C@@H](C)c1[n-]nnc1C(=O)OC 685955061 537852278 /nfs/dbraw/zinc/85/22/78/537852278.db2.gz ZQZWVBNANJSVFJ-RXMQYKEDSA-N -1 3 183.211 1.105 10 0 ADAEHM CC[C@@H](C)c1nn[n-]c1C(=O)OC 685955061 537852281 /nfs/dbraw/zinc/85/22/81/537852281.db2.gz ZQZWVBNANJSVFJ-RXMQYKEDSA-N -1 3 183.211 1.105 10 0 ADAEHM CC[C@@H](C)c1n[n-]nc1C(=O)OC 685955061 537852283 /nfs/dbraw/zinc/85/22/83/537852283.db2.gz ZQZWVBNANJSVFJ-RXMQYKEDSA-N -1 3 183.211 1.105 10 0 ADAEHM COC(=O)c1nn[n-]c1CC(C)(C)C 685955010 537852668 /nfs/dbraw/zinc/85/26/68/537852668.db2.gz YFKSDIXBIYLZAP-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM COC(=O)c1[n-]nnc1CC(C)(C)C 685955010 537852671 /nfs/dbraw/zinc/85/26/71/537852671.db2.gz YFKSDIXBIYLZAP-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM COC(=O)c1n[n-]nc1CC(C)(C)C 685955010 537852676 /nfs/dbraw/zinc/85/26/76/537852676.db2.gz YFKSDIXBIYLZAP-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM CCC(C)(C)c1[n-]nnc1C(=O)OC 685955063 537852897 /nfs/dbraw/zinc/85/28/97/537852897.db2.gz ZRCJJGVWABQLPB-UHFFFAOYSA-N -1 3 197.238 1.279 10 0 ADAEHM CCC(C)(C)c1nn[n-]c1C(=O)OC 685955063 537852902 /nfs/dbraw/zinc/85/29/02/537852902.db2.gz ZRCJJGVWABQLPB-UHFFFAOYSA-N -1 3 197.238 1.279 10 0 ADAEHM CCC(C)(C)c1n[n-]nc1C(=O)OC 685955063 537852905 /nfs/dbraw/zinc/85/29/05/537852905.db2.gz ZRCJJGVWABQLPB-UHFFFAOYSA-N -1 3 197.238 1.279 10 0 ADAEHM C=C(OCC)c1cncc([O-])c1 685964618 537874852 /nfs/dbraw/zinc/87/48/52/537874852.db2.gz AACOYKVEGLAFFZ-UHFFFAOYSA-N -1 3 165.192 1.794 10 0 ADAEHM C=C(OCC)c1ncccc1[O-] 685964983 537874373 /nfs/dbraw/zinc/87/43/73/537874373.db2.gz JMIVUMBCJWHSAV-UHFFFAOYSA-N -1 3 165.192 1.794 10 0 ADAEHM C=C(OCC)c1ccc([O-])cn1 685965748 537876383 /nfs/dbraw/zinc/87/63/83/537876383.db2.gz RENAKGMEKMPCEQ-UHFFFAOYSA-N -1 3 165.192 1.794 10 0 ADAEHM CC(C)c1nc2c(c(=O)[n-]1)CCCN2 82664004 537884071 /nfs/dbraw/zinc/88/40/71/537884071.db2.gz GGOJRHKITQHHBP-UHFFFAOYSA-N -1 3 193.250 1.251 10 0 ADAEHM Cc1ccnc(-n2ccc(=O)[n-]2)c1 725246975 537901035 /nfs/dbraw/zinc/90/10/35/537901035.db2.gz CDNQBALDPCNXCB-UHFFFAOYSA-N -1 3 175.191 1.281 10 0 ADAEHM CCN1CCC(Cl)(C(=O)[O-])CC1 725255184 537917809 /nfs/dbraw/zinc/91/78/09/537917809.db2.gz DIDCYGSQJAXEMB-UHFFFAOYSA-N -1 3 191.658 1.164 10 0 ADAEHM Cc1cc(C(=O)[O-])cc2nc(N)[nH]c12 725256745 537921866 /nfs/dbraw/zinc/92/18/66/537921866.db2.gz MGUIVTYIUNGOPQ-UHFFFAOYSA-N -1 3 191.190 1.152 10 0 ADAEHM O=C(C=C([O-])[C@H]1CCCO1)C1CCC1 725258390 537925870 /nfs/dbraw/zinc/92/58/70/537925870.db2.gz MLXIPRGYOZVRIE-LLVKDONJSA-N -1 3 196.246 1.494 10 0 ADAEHM O=C(C=C([O-])[C@@H]1CCCO1)C1CCC1 725258391 537926620 /nfs/dbraw/zinc/92/66/20/537926620.db2.gz MLXIPRGYOZVRIE-NSHDSACASA-N -1 3 196.246 1.494 10 0 ADAEHM CCc1cccc(C(=O)NC)c1[O-] 95711266 537945744 /nfs/dbraw/zinc/94/57/44/537945744.db2.gz GRJHCKXXQYPCEX-UHFFFAOYSA-N -1 3 179.219 1.314 10 0 ADAEHM CC(C)(C)C(=O)C=C([O-])C(F)F 113676043 537966473 /nfs/dbraw/zinc/96/64/73/537966473.db2.gz RPWVBEWBHGQTIZ-UHFFFAOYSA-N -1 3 178.178 1.826 10 0 ADAEHM CC(C)(C)C([O-])=CC(=O)C(F)F 113676043 537966481 /nfs/dbraw/zinc/96/64/81/537966481.db2.gz RPWVBEWBHGQTIZ-UHFFFAOYSA-N -1 3 178.178 1.826 10 0 ADAEHM CC(C(=O)C1CC1)=C([O-])C(F)(F)F 113803659 537967756 /nfs/dbraw/zinc/96/77/56/537967756.db2.gz MUPVIZBQSWGETD-BYPYZUCNSA-N -1 3 194.152 1.733 10 0 ADAEHM CC(C(=O)C(F)(F)F)=C([O-])C1CC1 113803659 537967759 /nfs/dbraw/zinc/96/77/59/537967759.db2.gz MUPVIZBQSWGETD-BYPYZUCNSA-N -1 3 194.152 1.733 10 0 ADAEHM CC(C(=O)C1CC1)=C([O-])C(F)(F)F 113803663 537968391 /nfs/dbraw/zinc/96/83/91/537968391.db2.gz MUPVIZBQSWGETD-SCSAIBSYSA-N -1 3 194.152 1.733 10 0 ADAEHM CC(C(=O)C(F)(F)F)=C([O-])C1CC1 113803663 537968398 /nfs/dbraw/zinc/96/83/98/537968398.db2.gz MUPVIZBQSWGETD-SCSAIBSYSA-N -1 3 194.152 1.733 10 0 ADAEHM Cc1[n-]n(C)c(=O)c1C(C)C 116396573 537971578 /nfs/dbraw/zinc/97/15/78/537971578.db2.gz UUWZRWUFTSQMCG-UHFFFAOYSA-N -1 3 154.213 1.558 10 0 ADAEHM CCOC(=O)c1nn[n-]c1C(C)C 117561393 537971961 /nfs/dbraw/zinc/97/19/61/537971961.db2.gz VAUNMGRLJUREQH-UHFFFAOYSA-N -1 3 183.211 1.105 10 0 ADAEHM CCOC(=O)c1[n-]nnc1C(C)C 117561393 537971970 /nfs/dbraw/zinc/97/19/70/537971970.db2.gz VAUNMGRLJUREQH-UHFFFAOYSA-N -1 3 183.211 1.105 10 0 ADAEHM CCOC(=O)c1n[n-]nc1C(C)C 117561393 537971975 /nfs/dbraw/zinc/97/19/75/537971975.db2.gz VAUNMGRLJUREQH-UHFFFAOYSA-N -1 3 183.211 1.105 10 0 ADAEHM CC(C(=O)C(C)C)=C([O-])C(F)(F)F 138873695 537988768 /nfs/dbraw/zinc/98/87/68/537988768.db2.gz RFZHGZJATCYOIG-YFKPBYRVSA-N -1 3 196.168 1.979 10 0 ADAEHM CC(C(=O)C(F)(F)F)=C([O-])C(C)C 138873695 537988772 /nfs/dbraw/zinc/98/87/72/537988772.db2.gz RFZHGZJATCYOIG-YFKPBYRVSA-N -1 3 196.168 1.979 10 0 ADAEHM CC(C(=O)C(C)C)=C([O-])C(F)(F)F 138873573 537990410 /nfs/dbraw/zinc/99/04/10/537990410.db2.gz RFZHGZJATCYOIG-RXMQYKEDSA-N -1 3 196.168 1.979 10 0 ADAEHM CC(C(=O)C(F)(F)F)=C([O-])C(C)C 138873573 537990415 /nfs/dbraw/zinc/99/04/15/537990415.db2.gz RFZHGZJATCYOIG-RXMQYKEDSA-N -1 3 196.168 1.979 10 0 ADAEHM CN(C)Cc1ccc([S@](=O)[O-])cc1 145407327 538001815 /nfs/dbraw/zinc/00/18/15/538001815.db2.gz OGOWDQSWEGCLLN-UHFFFAOYSA-N -1 3 199.275 1.329 10 0 ADAEHM CCOC(=O)c1nn[n-]c1C(C)(C)C 231838401 538221638 /nfs/dbraw/zinc/22/16/38/538221638.db2.gz KSSGCSIQHZXEFO-UHFFFAOYSA-N -1 3 197.238 1.279 10 0 ADAEHM CCOC(=O)c1[n-]nnc1C(C)(C)C 231838401 538221643 /nfs/dbraw/zinc/22/16/43/538221643.db2.gz KSSGCSIQHZXEFO-UHFFFAOYSA-N -1 3 197.238 1.279 10 0 ADAEHM CCOC(=O)c1n[n-]nc1C(C)(C)C 231838401 538221646 /nfs/dbraw/zinc/22/16/46/538221646.db2.gz KSSGCSIQHZXEFO-UHFFFAOYSA-N -1 3 197.238 1.279 10 0 ADAEHM CCOC(=O)c1nn[n-]c1CC(C)C 231850710 538223978 /nfs/dbraw/zinc/22/39/78/538223978.db2.gz FBEGOZUEWOAPDG-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM CCOC(=O)c1[n-]nnc1CC(C)C 231850710 538223982 /nfs/dbraw/zinc/22/39/82/538223982.db2.gz FBEGOZUEWOAPDG-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM CCOC(=O)c1n[n-]nc1CC(C)C 231850710 538223984 /nfs/dbraw/zinc/22/39/84/538223984.db2.gz FBEGOZUEWOAPDG-UHFFFAOYSA-N -1 3 197.238 1.180 10 0 ADAEHM NCc1c(F)cc(C(=O)[O-])cc1F 258001210 538287114 /nfs/dbraw/zinc/28/71/14/538287114.db2.gz GKCFUXKRTFUSFY-UHFFFAOYSA-N -1 3 187.145 1.122 10 0 ADAEHM NCc1cc(F)c(C(=O)[O-])cc1F 258085555 538287546 /nfs/dbraw/zinc/28/75/46/538287546.db2.gz NMIDAVTXBURAJJ-UHFFFAOYSA-N -1 3 187.145 1.122 10 0 ADAEHM COC(=O)c1nn[n-]c1C1CCCC1 259682092 538289756 /nfs/dbraw/zinc/28/97/56/538289756.db2.gz SHKCYHFSCNXTFW-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM COC(=O)c1[n-]nnc1C1CCCC1 259682092 538289761 /nfs/dbraw/zinc/28/97/61/538289761.db2.gz SHKCYHFSCNXTFW-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM COC(=O)c1n[n-]nc1C1CCCC1 259682092 538289767 /nfs/dbraw/zinc/28/97/67/538289767.db2.gz SHKCYHFSCNXTFW-UHFFFAOYSA-N -1 3 195.222 1.249 10 0 ADAEHM CC(F)(F)C([O-])=CC(=O)C1CC1 300851712 538295541 /nfs/dbraw/zinc/29/55/41/538295541.db2.gz HIRORTKCWHFLQF-UHFFFAOYSA-N -1 3 176.162 1.580 10 0 ADAEHM CC(F)(F)C(=O)C=C([O-])C1CC1 300851712 538295552 /nfs/dbraw/zinc/29/55/52/538295552.db2.gz HIRORTKCWHFLQF-UHFFFAOYSA-N -1 3 176.162 1.580 10 0 ADAEHM CC(F)(F)C([O-])=CC(=O)C1(C)CC1 300879960 538297544 /nfs/dbraw/zinc/29/75/44/538297544.db2.gz MOGRBBFGVQRXFP-UHFFFAOYSA-N -1 3 190.189 1.970 10 0 ADAEHM CC(F)(F)C(=O)C=C([O-])C1(C)CC1 300879960 538297549 /nfs/dbraw/zinc/29/75/49/538297549.db2.gz MOGRBBFGVQRXFP-UHFFFAOYSA-N -1 3 190.189 1.970 10 0 ADAEHM COC(C)(C)C(=O)C=C([O-])C(F)F 301024075 538298120 /nfs/dbraw/zinc/29/81/20/538298120.db2.gz RBSJYYGFMXALHI-UHFFFAOYSA-N -1 3 194.177 1.205 10 0 ADAEHM COC(C)(C)C([O-])=CC(=O)C(F)F 301024075 538298123 /nfs/dbraw/zinc/29/81/23/538298123.db2.gz RBSJYYGFMXALHI-UHFFFAOYSA-N -1 3 194.177 1.205 10 0 ADAEHM CC[C@H](C)C([O-])=CC(=O)C(F)F 307970178 538319886 /nfs/dbraw/zinc/31/98/86/538319886.db2.gz WPHJOTOPIBUCCR-YFKPBYRVSA-N -1 3 178.178 1.826 10 0 ADAEHM CC[C@@H](C)C([O-])=CC(=O)C(F)F 307970177 538321874 /nfs/dbraw/zinc/32/18/74/538321874.db2.gz WPHJOTOPIBUCCR-RXMQYKEDSA-N -1 3 178.178 1.826 10 0 ADAEHM C[C@@H]1C[C@@H]1C(=O)C=C([O-])C(F)(F)F 321528378 538324529 /nfs/dbraw/zinc/32/45/29/538324529.db2.gz RJFFTKFHCLFHAI-UHNVWZDZSA-N -1 3 194.152 1.733 10 0 ADAEHM C[C@@H]1C[C@H]1C(=O)C=C([O-])C(F)F 321228992 538324836 /nfs/dbraw/zinc/32/48/36/538324836.db2.gz GZUHENGVGHVFJH-RFZPGFLSSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@@H]1C[C@H]1C([O-])=CC(=O)C(F)F 321228992 538324844 /nfs/dbraw/zinc/32/48/44/538324844.db2.gz GZUHENGVGHVFJH-RFZPGFLSSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@@H]1C[C@@H]1C(=O)C=C([O-])C(C)(F)F 321534173 538325030 /nfs/dbraw/zinc/32/50/30/538325030.db2.gz SOLYIPHQWLCRKP-RITPCOANSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@@H]1C[C@@H]1C([O-])=CC(=O)C(C)(F)F 321534173 538325036 /nfs/dbraw/zinc/32/50/36/538325036.db2.gz SOLYIPHQWLCRKP-RITPCOANSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@@H]1C[C@@H]1C(=O)C=C([O-])C(F)F 321228993 538326004 /nfs/dbraw/zinc/32/60/04/538326004.db2.gz GZUHENGVGHVFJH-UHNVWZDZSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@@H]1C[C@@H]1C([O-])=CC(=O)C(F)F 321228993 538326009 /nfs/dbraw/zinc/32/60/09/538326009.db2.gz GZUHENGVGHVFJH-UHNVWZDZSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@@H]1C[C@H]1C(=O)C=C([O-])C(C)(F)F 321534172 538326435 /nfs/dbraw/zinc/32/64/35/538326435.db2.gz SOLYIPHQWLCRKP-PHDIDXHHSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@@H]1C[C@H]1C([O-])=CC(=O)C(C)(F)F 321534172 538326439 /nfs/dbraw/zinc/32/64/39/538326439.db2.gz SOLYIPHQWLCRKP-PHDIDXHHSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@@H]1C[C@H]1C(=O)C=C([O-])C(F)(F)F 321528376 538326474 /nfs/dbraw/zinc/32/64/74/538326474.db2.gz RJFFTKFHCLFHAI-RFZPGFLSSA-N -1 3 194.152 1.733 10 0 ADAEHM C[C@H]1C[C@H]1C(=O)C=C([O-])C(F)(F)F 321528375 538326611 /nfs/dbraw/zinc/32/66/11/538326611.db2.gz RJFFTKFHCLFHAI-CRCLSJGQSA-N -1 3 194.152 1.733 10 0 ADAEHM C[C@H]1C[C@H]1C(=O)C=C([O-])C(C)(F)F 321534171 538326917 /nfs/dbraw/zinc/32/69/17/538326917.db2.gz SOLYIPHQWLCRKP-NTSWFWBYSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@H]1C[C@H]1C([O-])=CC(=O)C(C)(F)F 321534171 538326923 /nfs/dbraw/zinc/32/69/23/538326923.db2.gz SOLYIPHQWLCRKP-NTSWFWBYSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@H]1C[C@@H]1C(=O)C=C([O-])C(F)(F)F 321528379 538326941 /nfs/dbraw/zinc/32/69/41/538326941.db2.gz RJFFTKFHCLFHAI-WHFBIAKZSA-N -1 3 194.152 1.733 10 0 ADAEHM C[C@H]1C[C@H]1C(=O)C=C([O-])C(F)F 321228991 538326973 /nfs/dbraw/zinc/32/69/73/538326973.db2.gz GZUHENGVGHVFJH-CRCLSJGQSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@H]1C[C@H]1C([O-])=CC(=O)C(F)F 321228991 538326977 /nfs/dbraw/zinc/32/69/77/538326977.db2.gz GZUHENGVGHVFJH-CRCLSJGQSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@H]1C[C@@H]1C(=O)C=C([O-])C(C)(F)F 321534174 538327269 /nfs/dbraw/zinc/32/72/69/538327269.db2.gz SOLYIPHQWLCRKP-WDSKDSINSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@H]1C[C@@H]1C([O-])=CC(=O)C(C)(F)F 321534174 538327274 /nfs/dbraw/zinc/32/72/74/538327274.db2.gz SOLYIPHQWLCRKP-WDSKDSINSA-N -1 3 190.189 1.826 10 0 ADAEHM C[C@H]1C[C@@H]1C(=O)C=C([O-])C(F)F 321228994 538327348 /nfs/dbraw/zinc/32/73/48/538327348.db2.gz GZUHENGVGHVFJH-WHFBIAKZSA-N -1 3 176.162 1.436 10 0 ADAEHM C[C@H]1C[C@@H]1C([O-])=CC(=O)C(F)F 321228994 538327352 /nfs/dbraw/zinc/32/73/52/538327352.db2.gz GZUHENGVGHVFJH-WHFBIAKZSA-N -1 3 176.162 1.436 10 0 ADAEHM O=C(NCCCF)c1cccc([O-])c1 379495771 538410429 /nfs/dbraw/zinc/41/04/29/538410429.db2.gz YUSWNJRQOFNWIB-UHFFFAOYSA-N -1 3 197.209 1.482 10 0 ADAEHM [O-]c1cccnc1CNCC1(F)CC1 379602493 538422307 /nfs/dbraw/zinc/42/23/07/538422307.db2.gz MQORVSFNGXWCHO-UHFFFAOYSA-N -1 3 196.225 1.379 10 0 ADAEHM Cc1cc2[n-]ncc(=O)c2cc1F 669376647 538443142 /nfs/dbraw/zinc/44/31/42/538443142.db2.gz FIOQBZBFGYMNEH-UHFFFAOYSA-N -1 3 178.166 1.783 10 0 ADAEHM CCN(C)Cc1cncc(C(=O)[O-])c1 669378366 538445210 /nfs/dbraw/zinc/44/52/10/538445210.db2.gz BNXVISMDSSWKQW-UHFFFAOYSA-N -1 3 194.234 1.232 10 0 ADAEHM CCc1cc(=O)c2c(C)noc2[n-]1 669383937 538446960 /nfs/dbraw/zinc/44/69/60/538446960.db2.gz LZIKJOXWEOMYIS-UHFFFAOYSA-N -1 3 178.191 1.799 10 0 ADAEHM CCc1noc2[n-]c(C)cc(=O)c12 669384461 538446995 /nfs/dbraw/zinc/44/69/95/538446995.db2.gz WKYZJVDJUDJOLX-UHFFFAOYSA-N -1 3 178.191 1.799 10 0 ADAEHM CNCc1occ(C2CC2)c1C(=O)[O-] 675051417 538447541 /nfs/dbraw/zinc/44/75/41/538447541.db2.gz JYQWHVUNHCCWQD-UHFFFAOYSA-N -1 3 195.218 1.575 10 0 ADAEHM CCCc1coc(CNC)c1C(=O)[O-] 675051128 538447664 /nfs/dbraw/zinc/44/76/64/538447664.db2.gz ATNYTHRDXIFIQM-UHFFFAOYSA-N -1 3 197.234 1.650 10 0 ADAEHM CNCc1occ(C(C)C)c1C(=O)[O-] 675051189 538447836 /nfs/dbraw/zinc/44/78/36/538447836.db2.gz CSZQCIVUGOVCJY-UHFFFAOYSA-N -1 3 197.234 1.821 10 0 ADAEHM CNCc1occ(C)c1C(=O)[O-] 675051939 538448072 /nfs/dbraw/zinc/44/80/72/538448072.db2.gz YCVWBSYPGRBOEN-UHFFFAOYSA-N -1 3 169.180 1.006 10 0 ADAEHM CCNCc1occ(C)c1C(=O)[O-] 675051970 538448151 /nfs/dbraw/zinc/44/81/51/538448151.db2.gz ZIQHNDYJOKZLOG-UHFFFAOYSA-N -1 3 183.207 1.396 10 0 ADAEHM Cc1[n-]n(C)c(=O)c1C1CC1 675053656 538448208 /nfs/dbraw/zinc/44/82/08/538448208.db2.gz JUSUIXLHTLTJIT-UHFFFAOYSA-N -1 3 152.197 1.312 10 0 ADAEHM O=S1(=O)CCCc2ccc([O-])cc21 214104366 571716449 /nfs/dbraw/zinc/71/64/49/571716449.db2.gz GNMGGRMNUDDGSV-UHFFFAOYSA-N -1 3 198.243 1.112 10 0 ADAEHM CC1(C)CC(Nc2cc(=O)[n-]cn2)C1 306754059 757075135 /nfs/dbraw/zinc/07/51/35/757075135.db2.gz PHOGCYAYPMFODD-UHFFFAOYSA-N -1 3 193.250 1.783 10 0 ADAEHM CC[C@@H](N)c1ncc(C(=O)[O-])s1 13357369 571979784 /nfs/dbraw/zinc/97/97/84/571979784.db2.gz XOYSABCFCBAFEO-SCSAIBSYSA-N -1 3 186.236 1.251 10 0 ADAEHM CC(C)(C)[C@H]1CC([O-])=NO1 140550478 571736419 /nfs/dbraw/zinc/73/64/19/571736419.db2.gz SWIHVDZPPCJVHE-RXMQYKEDSA-N -1 3 143.186 1.693 10 0 ADAEHM CC(C)(C)[C@H]1CC(=O)[N-]O1 140550478 571736422 /nfs/dbraw/zinc/73/64/22/571736422.db2.gz SWIHVDZPPCJVHE-RXMQYKEDSA-N -1 3 143.186 1.693 10 0 ADAEHM Cc1ccc2c(c1C)C(=O)[N-]C2=O 32220270 571970759 /nfs/dbraw/zinc/97/07/59/571970759.db2.gz IAGZAIHSURVYSD-UHFFFAOYSA-N -1 3 175.187 1.187 10 0 ADAEHM CCCC1CC(=O)C(C)=C([O-])C1 139757747 571973835 /nfs/dbraw/zinc/97/38/35/571973835.db2.gz JQTDDHCPHQWBLW-UHFFFAOYSA-N -1 3 168.236 1.971 10 0 ADAEHM CC(C)O[N-]C(=O)CC1(C)CC1 401238052 757147715 /nfs/dbraw/zinc/14/77/15/757147715.db2.gz GVPOLRGYOPOOMO-UHFFFAOYSA-N -1 3 171.240 1.633 10 0 ADAEHM C[C@H](c1ccsc1)N([O-])C(N)=O 13762879 571990302 /nfs/dbraw/zinc/99/03/02/571990302.db2.gz PFMLWNKVWINRRO-RXMQYKEDSA-N -1 3 186.236 1.579 10 0 ADAEHM CCc1cc(C(C)=O)cc(N)c1[O-] 41652454 571993014 /nfs/dbraw/zinc/99/30/14/571993014.db2.gz YHKJCKZZTRGYHQ-UHFFFAOYSA-N -1 3 179.219 1.739 10 0 ADAEHM O=Cc1cnc(-c2nccs2)[n-]1 39133334 571996643 /nfs/dbraw/zinc/99/66/43/571996643.db2.gz MRXCTAVNDNVTMW-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM O=Cc1c[n-]c(-c2nccs2)n1 39133334 571996646 /nfs/dbraw/zinc/99/66/46/571996646.db2.gz MRXCTAVNDNVTMW-UHFFFAOYSA-N -1 3 179.204 1.346 10 0 ADAEHM Oc1ccc2c(c1)CC(=S)[N-]2 34728911 572104955 /nfs/dbraw/zinc/10/49/55/572104955.db2.gz BQXZNHRVEBQVMZ-UHFFFAOYSA-N -1 3 165.217 1.688 10 0 ADAEHM Cc1cc2c(cc1C)C(=O)[N-]C2=O 39268795 572001443 /nfs/dbraw/zinc/00/14/43/572001443.db2.gz OUNAOMONKRIQOD-UHFFFAOYSA-N -1 3 175.187 1.187 10 0 ADAEHM CCc1nc(OC2CC2)cc(=O)[n-]1 713198188 572019963 /nfs/dbraw/zinc/01/99/63/572019963.db2.gz CIUBWHIGFAKDNU-UHFFFAOYSA-N -1 3 180.207 1.286 10 0 ADAEHM CC(C)(c1nnn[n-]1)C1CCC1 585089019 757244251 /nfs/dbraw/zinc/24/42/51/757244251.db2.gz RKYUHIAYPIMVSF-UHFFFAOYSA-N -1 3 166.228 1.277 10 0 ADAEHM CC(C)(c1nn[n-]n1)C1CCC1 585089019 757244280 /nfs/dbraw/zinc/24/42/80/757244280.db2.gz RKYUHIAYPIMVSF-UHFFFAOYSA-N -1 3 166.228 1.277 10 0 ADAEHM C[C@H]1CCCc2c1[nH]c(=S)[n-]c2=O 33846858 572039450 /nfs/dbraw/zinc/03/94/50/572039450.db2.gz DGWMNBFEJUEUFA-YFKPBYRVSA-N -1 3 196.275 1.872 10 0 ADAEHM C[C@H]1CCCc2[nH]c(=S)[n-]c(=O)c21 33842924 572039482 /nfs/dbraw/zinc/03/94/82/572039482.db2.gz FOQQIGLNKMMUIF-YFKPBYRVSA-N -1 3 196.275 1.872 10 0 ADAEHM CC1=C(C)C[C@@H]2C([O-])=CC(=O)[C@H]2C1 34100035 572054794 /nfs/dbraw/zinc/05/47/94/572054794.db2.gz WPAHISKGROKAFZ-IUCAKERBSA-N -1 3 178.231 1.891 10 0 ADAEHM O=C1NCC(=S)[N-]c2ccccc21 34143801 572058826 /nfs/dbraw/zinc/05/88/26/572058826.db2.gz KAWOCVTYBXCBJU-UHFFFAOYSA-N -1 3 192.243 1.169 10 0 ADAEHM CCC[C@H](Nc1ccncc1)C(=O)[O-] 36838426 572069308 /nfs/dbraw/zinc/06/93/08/572069308.db2.gz NMBKEDTZUDJBEV-VIFPVBQESA-N -1 3 194.234 1.747 10 0 ADAEHM Cc1c([C@H](C)F)nc[n-]c1=O 34559777 572092635 /nfs/dbraw/zinc/09/26/35/572092635.db2.gz HVZYJQBCQOVTIR-YFKPBYRVSA-N -1 3 156.160 1.109 10 0 ADAEHM CC(=O)Nc1nc2ccc([O-])cc2o1 34627907 572103960 /nfs/dbraw/zinc/10/39/60/572103960.db2.gz FZPBZKOQNNELRE-UHFFFAOYSA-N -1 3 192.174 1.492 10 0 ADAEHM CCCC(=O)[N-]OCC1CC1 688909875 757341496 /nfs/dbraw/zinc/34/14/96/757341496.db2.gz AICOYBALPRNSRD-UHFFFAOYSA-N -1 3 157.213 1.244 10 0 ADAEHM CCN(C)Cc1csc(C(=O)[O-])c1 689169501 757343533 /nfs/dbraw/zinc/34/35/33/757343533.db2.gz VBFFXEHCISHYLS-UHFFFAOYSA-N -1 3 199.275 1.898 10 0 ADAEHM CC(C)C(=O)[N-]OCC1CCC1 688918743 757345826 /nfs/dbraw/zinc/34/58/26/757345826.db2.gz HTVCEEJZFNZPQP-UHFFFAOYSA-N -1 3 171.240 1.490 10 0 ADAEHM COC(=O)C(=C(C)[O-])c1cccs1 71507702 572162786 /nfs/dbraw/zinc/16/27/86/572162786.db2.gz PHSAQZOBEFUNRF-QMMMGPOBSA-N -1 3 198.243 1.594 10 0 ADAEHM CO[N-]C(=O)[C@@]12CCCC[C@@H]1C2 693257310 757387372 /nfs/dbraw/zinc/38/73/72/757387372.db2.gz NVIGDTHITQTPMN-VXNVDRBHSA-N -1 3 169.224 1.244 10 0 ADAEHM CO[N-]C(=O)[C@]12CCCC[C@H]1C2 693257306 757387942 /nfs/dbraw/zinc/38/79/42/757387942.db2.gz NVIGDTHITQTPMN-CBAPKCEASA-N -1 3 169.224 1.244 10 0 ADAEHM O=Cc1nnc(-c2ccc([O-])cc2)o1 249926537 572197215 /nfs/dbraw/zinc/19/72/15/572197215.db2.gz ZRNHHADGZLTEJG-UHFFFAOYSA-N -1 3 190.158 1.255 10 0 ADAEHM C[C@@H](NC/C=C/C(=O)[O-])c1ccco1 235200477 572224971 /nfs/dbraw/zinc/22/49/71/572224971.db2.gz SPWBKAATXFAARQ-IBDUZEINSA-N -1 3 195.218 1.571 10 0 ADAEHM CCC(F)(F)C[N-]C(=O)C(F)F 697661052 757433008 /nfs/dbraw/zinc/43/30/08/757433008.db2.gz PNFFRCCIOKQKTL-UHFFFAOYSA-N -1 3 187.136 1.413 10 0 ADAEHM C[C@@H](c1ccoc1)N(C)CCC(=O)[O-] 87307860 572417092 /nfs/dbraw/zinc/41/70/92/572417092.db2.gz WTAPVFGWAIISHZ-QMMMGPOBSA-N -1 3 197.234 1.747 10 0 ADAEHM CC[C@H](c1ccccc1)N([O-])C(N)=O 74246719 572481407 /nfs/dbraw/zinc/48/14/07/572481407.db2.gz FUWZLSDJONNDLX-SECBINFHSA-N -1 3 194.234 1.908 10 0 ADAEHM CN1CC[C@@H](C(=O)[O-])[C@H]1c1ccco1 250608049 572493720 /nfs/dbraw/zinc/49/37/20/572493720.db2.gz LWFUDUQBQQKFRE-APPZFPTMSA-N -1 3 195.218 1.357 10 0 ADAEHM CCCO[N-]C(=O)CCSC 699799222 757470030 /nfs/dbraw/zinc/47/00/30/757470030.db2.gz KZEBXGCETDVYJW-UHFFFAOYSA-N -1 3 177.269 1.197 10 0 ADAEHM CCCO[N-]C(=O)CCC(C)C 699788680 757474361 /nfs/dbraw/zinc/47/43/61/757474361.db2.gz CTGVOCZWADUNJK-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM CCCO[N-]C(=O)CC(C)(C)C 699855002 757478666 /nfs/dbraw/zinc/47/86/66/757478666.db2.gz FATNFOKJWQEGRS-UHFFFAOYSA-N -1 3 173.256 1.880 10 0 ADAEHM Cc1[nH]nc(-c2nc(C=O)c[n-]2)c1C 74274675 572537462 /nfs/dbraw/zinc/53/74/62/572537462.db2.gz VZBNEDWMRAMPSX-UHFFFAOYSA-N -1 3 190.206 1.229 10 0 ADAEHM CCCc1ccc([C@H](N)C(=O)[O-])cc1 72191092 572611949 /nfs/dbraw/zinc/61/19/49/572611949.db2.gz KTGRFSZWSRRBJE-JTQLQIEISA-N -1 3 193.246 1.724 10 0 ADAEHM CO[N-]C(=O)C[C@H]1CC=CCC1 885309287 757525601 /nfs/dbraw/zinc/52/56/01/757525601.db2.gz DIQGHVJASFMAQI-QMMMGPOBSA-N -1 3 169.224 1.410 10 0 ADAEHM CO[N-]C(=O)C[C@@H]1CC=CCC1 885309279 757529434 /nfs/dbraw/zinc/52/94/34/757529434.db2.gz DIQGHVJASFMAQI-MRVPVSSYSA-N -1 3 169.224 1.410 10 0 ADAEHM Cc1cc([C@@H](N)C(=O)[O-])sc1C 49072693 572734160 /nfs/dbraw/zinc/73/41/60/572734160.db2.gz OCYGIQDKUZGLJE-SSDOTTSWSA-N -1 3 185.248 1.449 10 0 ADAEHM N[C@H](/C=C\C(=O)[O-])c1cccs1 714539793 572735858 /nfs/dbraw/zinc/73/58/58/572735858.db2.gz FTAFYHANSJLBLN-KGJQDRRLSA-N -1 3 183.232 1.389 10 0 ADAEHM O=C([O-])c1cc(CNC2CCC2)on1 236470065 572767832 /nfs/dbraw/zinc/76/78/32/572767832.db2.gz NLCQXEDCIGYRMB-UHFFFAOYSA-N -1 3 196.206 1.015 10 0 ADAEHM C/C=C\CC[N-]S(=O)(=O)C(F)F 307933890 572791912 /nfs/dbraw/zinc/79/19/12/572791912.db2.gz QPGBIUWGSXLERM-IHWYPQMZSA-N -1 3 199.222 1.095 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)CC(C)C 307970651 572872452 /nfs/dbraw/zinc/87/24/52/572872452.db2.gz GVKCKTZAFMKDQU-MRVPVSSYSA-N -1 3 173.256 1.879 10 0 ADAEHM Cc1c(C(=O)[O-])oc2c1[C@H](N)CC2 75656670 572895571 /nfs/dbraw/zinc/89/55/71/572895571.db2.gz FFMCNFXMCZEWPM-RXMQYKEDSA-N -1 3 181.191 1.232 10 0 ADAEHM CC(C)=CCCOC([O-])=NC(N)=O 238146134 572951423 /nfs/dbraw/zinc/95/14/23/572951423.db2.gz KHXLZJSADJPHLW-UHFFFAOYSA-N -1 3 186.211 1.148 10 0 ADAEHM CC(C)=CCCOC(=O)N=C(N)[O-] 238146134 572951425 /nfs/dbraw/zinc/95/14/25/572951425.db2.gz KHXLZJSADJPHLW-UHFFFAOYSA-N -1 3 186.211 1.148 10 0 ADAEHM CC(C)=CCCOC(=O)[N-]C(N)=O 238146134 572951426 /nfs/dbraw/zinc/95/14/26/572951426.db2.gz KHXLZJSADJPHLW-UHFFFAOYSA-N -1 3 186.211 1.148 10 0 ADAEHM Nc1cc(-c2cc(O)ccc2[O-])no1 258205251 572996038 /nfs/dbraw/zinc/99/60/38/572996038.db2.gz YVBZVSWGNICWES-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM CCC1=COCc2c1nc[n-]c2=O 238241424 572996104 /nfs/dbraw/zinc/99/61/04/572996104.db2.gz JGBPZEUTBUPXJM-UHFFFAOYSA-N -1 3 178.191 1.051 10 0 ADAEHM C[C@@H](CC(=O)[O-])c1cnccc1N 87925314 573011280 /nfs/dbraw/zinc/01/12/80/573011280.db2.gz XRJSUUPPRURIRP-LURJTMIESA-N -1 3 180.207 1.242 10 0 ADAEHM CCNc1nc(CC)[n-]c(=O)c1C 87918251 573006082 /nfs/dbraw/zinc/00/60/82/573006082.db2.gz FCFDTAJBVNJCHK-UHFFFAOYSA-N -1 3 181.239 1.073 10 0 ADAEHM CCCc1nc(NC)c(C)c(=O)[n-]1 87918257 573006098 /nfs/dbraw/zinc/00/60/98/573006098.db2.gz IHENNRFJIZHBGE-UHFFFAOYSA-N -1 3 181.239 1.073 10 0 ADAEHM COC(OC)c1ccc([O-])c(C=O)c1 258219168 573011335 /nfs/dbraw/zinc/01/13/35/573011335.db2.gz YJGANRBAIIRIIR-UHFFFAOYSA-N -1 3 196.202 1.496 10 0 ADAEHM CCCc1nc2noc(C)c2c(=O)[n-]1 238254210 573017712 /nfs/dbraw/zinc/01/77/12/573017712.db2.gz WEPJAIZZCAOAAT-UHFFFAOYSA-N -1 3 193.206 1.172 10 0 ADAEHM COc1nc(Cl)nc(C)c1[O-] 141729835 573020942 /nfs/dbraw/zinc/02/09/42/573020942.db2.gz NQDLOEZYKVWYTH-UHFFFAOYSA-N -1 3 174.587 1.153 10 0 ADAEHM CC1(C)[N-]C(=S)OC1(C)C 238257120 573020950 /nfs/dbraw/zinc/02/09/50/573020950.db2.gz WYXMQWVGJGLFAF-UHFFFAOYSA-N -1 3 159.254 1.448 10 0 ADAEHM CC(C)CC([O-])=CC(=O)C(F)F 113676041 573023213 /nfs/dbraw/zinc/02/32/13/573023213.db2.gz VPCAUVRCZCWVTI-UHFFFAOYSA-N -1 3 178.178 1.826 10 0 ADAEHM CCc1occc1[C@@](C)(N)C(=O)[O-] 104575283 573026079 /nfs/dbraw/zinc/02/60/79/573026079.db2.gz HBRFIWXACMLGDV-SECBINFHSA-N -1 3 183.207 1.101 10 0 ADAEHM C[C@H]1C/C(=C/C=C\C(=O)[O-])CCN1C 308476873 573026202 /nfs/dbraw/zinc/02/62/02/573026202.db2.gz UREAMNPAOYNDFV-OJDRFRPPSA-N -1 3 195.262 1.668 10 0 ADAEHM Cc1cc([C@@](C)(N)C(=O)[O-])c(C)o1 104574088 573026214 /nfs/dbraw/zinc/02/62/14/573026214.db2.gz RKLVCTBOGXCWPR-SECBINFHSA-N -1 3 183.207 1.155 10 0 ADAEHM CC(C)CCOC(=O)c1ncn[n-]1 308228551 573028055 /nfs/dbraw/zinc/02/80/55/573028055.db2.gz FSADQMOISZSBLM-UHFFFAOYSA-N -1 3 183.211 1.008 10 0 ADAEHM CC(C)CCOC(=O)c1nnc[n-]1 308228551 573028064 /nfs/dbraw/zinc/02/80/64/573028064.db2.gz FSADQMOISZSBLM-UHFFFAOYSA-N -1 3 183.211 1.008 10 0 ADAEHM Cc1cccc(F)c1[C@@H](N)C(=O)[O-] 104577459 573032401 /nfs/dbraw/zinc/03/24/01/573032401.db2.gz NWCCCXPEDFUQCU-MRVPVSSYSA-N -1 3 183.182 1.219 10 0 ADAEHM CC(C)n1nnc2cc([O-])ccc21 77018996 573042218 /nfs/dbraw/zinc/04/22/18/573042218.db2.gz YPJZPYMQIPYEKA-UHFFFAOYSA-N -1 3 177.207 1.718 10 0 ADAEHM CCC(CC)c1nc([O-])c(C)c(=O)[nH]1 82473860 573052937 /nfs/dbraw/zinc/05/29/37/573052937.db2.gz GPMQUEXQEDAHDG-UHFFFAOYSA-N -1 3 196.250 1.688 10 0 ADAEHM [O-]c1cc2c(cc1Cl)CCO2 257933038 573052947 /nfs/dbraw/zinc/05/29/47/573052947.db2.gz AXPSJTOFNZIIDY-UHFFFAOYSA-N -1 3 170.595 1.981 10 0 ADAEHM CCCc1nc([O-])c(C(C)C)c(=O)[nH]1 82478252 573061666 /nfs/dbraw/zinc/06/16/66/573061666.db2.gz DAGYPWFHAORVQA-UHFFFAOYSA-N -1 3 196.250 1.551 10 0 ADAEHM CC[C@H](C)Nc1ccncc1C(=O)[O-] 88109627 573070656 /nfs/dbraw/zinc/07/06/56/573070656.db2.gz UWAFBYGRCCJQDO-ZETCQYMHSA-N -1 3 194.234 1.990 10 0 ADAEHM CCN(C)c1ccncc1C(=O)[O-] 88109695 573070700 /nfs/dbraw/zinc/07/07/00/573070700.db2.gz CFYFJTLJUGQPTH-UHFFFAOYSA-N -1 3 180.207 1.236 10 0 ADAEHM CCC[C@H]1C/C(=C\C(=O)[O-])CCN1C 238270730 573076861 /nfs/dbraw/zinc/07/68/61/573076861.db2.gz OZRYUYOHNIMBTA-QROTZFDESA-N -1 3 197.278 1.892 10 0 ADAEHM CC[C@@]1(C)C[C@H](C)C(=O)C=C1[O-] 238270315 573076895 /nfs/dbraw/zinc/07/68/95/573076895.db2.gz ZCGXUWJYKYEQGK-XVKPBYJWSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@@]1(C)C[C@H](C)C([O-])=CC1=O 238270315 573076903 /nfs/dbraw/zinc/07/69/03/573076903.db2.gz ZCGXUWJYKYEQGK-XVKPBYJWSA-N -1 3 168.236 1.971 10 0 ADAEHM CC[C@@]1(C)OC(=S)[N-][C@H]1C 238272631 573083856 /nfs/dbraw/zinc/08/38/56/573083856.db2.gz QZMNOVPJJVOYQF-CAHLUQPWSA-N -1 3 159.254 1.448 10 0 ADAEHM CO[N-]C(=O)C12CCC(CC1)C2(C)C 1123589854 757850583 /nfs/dbraw/zinc/85/05/83/757850583.db2.gz QBPKADDKGOSGDH-UHFFFAOYSA-N -1 3 197.278 1.880 10 0 ADAEHM CCN1C=Nc2c([O-])cccc2C1 238273597 573094011 /nfs/dbraw/zinc/09/40/11/573094011.db2.gz KNZYMBVLLZNACS-UHFFFAOYSA-N -1 3 176.219 1.888 10 0 ADAEHM CN[C@H](/C=C/C(=O)[O-])c1cccs1 259330496 573105871 /nfs/dbraw/zinc/10/58/71/573105871.db2.gz JYHLXKJZDCTNHX-SMMXGFFBSA-N -1 3 197.259 1.649 10 0 ADAEHM CN[C@@H](/C=C/C(=O)[O-])c1cccs1 259330494 573106850 /nfs/dbraw/zinc/10/68/50/573106850.db2.gz JYHLXKJZDCTNHX-KPJROHGDSA-N -1 3 197.259 1.649 10 0 ADAEHM CCCc1c(Cl)nc[n-]c1=O 82565244 573103731 /nfs/dbraw/zinc/10/37/31/573103731.db2.gz WANWWPPWEIWDKR-UHFFFAOYSA-N -1 3 172.615 1.376 10 0 ADAEHM CCc1nc(SC)cc(=O)[n-]1 238280715 573121894 /nfs/dbraw/zinc/12/18/94/573121894.db2.gz OBBKAJYLERVPCQ-UHFFFAOYSA-N -1 3 170.237 1.054 10 0 ADAEHM CC[C@H](N)c1ccc(C(=O)[O-])cn1 104662668 573139378 /nfs/dbraw/zinc/13/93/78/573139378.db2.gz QWYJKJFPCQCKNB-ZETCQYMHSA-N -1 3 180.207 1.190 10 0 ADAEHM CC(C)(C(=O)[O-])[C@@H](N)c1ccco1 104667271 573152568 /nfs/dbraw/zinc/15/25/68/573152568.db2.gz QSBCASGHGWOJEY-ZETCQYMHSA-N -1 3 183.207 1.390 10 0 ADAEHM CC[C@@H](C)Nc1nc([O-])cs1 238292351 573153853 /nfs/dbraw/zinc/15/38/53/573153853.db2.gz DABVOUVTDCWLPG-RXMQYKEDSA-N -1 3 172.253 1.004 10 0 ADAEHM N[C@@H]1COc2ccc([S-])cc21 104670328 573157216 /nfs/dbraw/zinc/15/72/16/573157216.db2.gz CHLDVPUFUXDTFQ-SSDOTTSWSA-N -1 3 167.233 1.368 10 0 ADAEHM Cc1ccc([C@@](C)(N)C(=O)[O-])cc1F 82703869 573157250 /nfs/dbraw/zinc/15/72/50/573157250.db2.gz LGBHJPZMKHJPQB-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM N[C@H]1COc2c([S-])cccc21 104672162 573160113 /nfs/dbraw/zinc/16/01/13/573160113.db2.gz HOWFFSFHWUJMAE-LURJTMIESA-N -1 3 167.233 1.368 10 0 ADAEHM CC[C@H]1C(=O)[N-]C(=O)O[C@H]1CC(C)C 238298055 573166412 /nfs/dbraw/zinc/16/64/12/573166412.db2.gz KPZTXWGILMALQT-SFYZADRCSA-N -1 3 199.250 1.694 10 0 ADAEHM O=Cc1cc(CF)ccc1[O-] 115216745 573170936 /nfs/dbraw/zinc/17/09/36/573170936.db2.gz IYRYVFFNCDGPQM-UHFFFAOYSA-N -1 3 154.140 1.674 10 0 ADAEHM Cn1ccnc1NC(C)(C)CC(=O)[O-] 82771067 573182888 /nfs/dbraw/zinc/18/28/88/573182888.db2.gz QUFFWFVCKQEMTE-UHFFFAOYSA-N -1 3 197.238 1.085 10 0 ADAEHM Cc1cccnc1[C@@](C)(N)CC(=O)[O-] 104685323 573182898 /nfs/dbraw/zinc/18/28/98/573182898.db2.gz YPMYZWPOQICFDL-JTQLQIEISA-N -1 3 194.234 1.039 10 0 ADAEHM Cc1cc2c(cc1[O-])OCCC2=O 104683774 573183007 /nfs/dbraw/zinc/18/30/07/573183007.db2.gz NNLCFTYSMVWNOV-UHFFFAOYSA-N -1 3 178.187 1.666 10 0 ADAEHM CC(C)O[N-]C(=O)CCC(F)F 1141476606 757994540 /nfs/dbraw/zinc/99/45/40/757994540.db2.gz ZLQDWYWZCCDGHE-UHFFFAOYSA-N -1 3 181.182 1.488 10 0 ADAEHM Cc1cccnc1[C@](C)(N)CC(=O)[O-] 104684906 573187073 /nfs/dbraw/zinc/18/70/73/573187073.db2.gz YPMYZWPOQICFDL-SNVBAGLBSA-N -1 3 194.234 1.039 10 0 ADAEHM Cc1cc(CO)c(F)cc1[O-] 257968278 573202654 /nfs/dbraw/zinc/20/26/54/573202654.db2.gz HYFBJMYPAWGMKL-UHFFFAOYSA-N -1 3 156.156 1.332 10 0 ADAEHM Cc1cncc(-c2cc(=O)[n-]cn2)c1 235930240 573202742 /nfs/dbraw/zinc/20/27/42/573202742.db2.gz CTKAXFPMSYCHHE-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM [O-]c1c[nH]c2ccsc12 104703413 573204814 /nfs/dbraw/zinc/20/48/14/573204814.db2.gz QLLKCDIFJZHKEI-UHFFFAOYSA-N -1 3 139.179 1.935 10 0 ADAEHM Cc1nc(OCC2CC2)cc(=O)[n-]1 235934518 573205107 /nfs/dbraw/zinc/20/51/07/573205107.db2.gz MGMKFRMSITXLGQ-UHFFFAOYSA-N -1 3 180.207 1.279 10 0 ADAEHM Cc1nc(-c2ccc[nH]2)c(C)c(=O)[n-]1 235953557 573205242 /nfs/dbraw/zinc/20/52/42/573205242.db2.gz GHSNLCMHGDTRPP-UHFFFAOYSA-N -1 3 189.218 1.382 10 0 ADAEHM CCc1cc2c(c([O-])c1C=O)OCO2 238313494 573208087 /nfs/dbraw/zinc/20/80/87/573208087.db2.gz WMKCTSBHPSUHLA-UHFFFAOYSA-N -1 3 194.186 1.496 10 0 ADAEHM C[C@H](CO)c1cc(F)c(F)cc1[O-] 257965110 573208110 /nfs/dbraw/zinc/20/81/10/573208110.db2.gz CFQTXXHTEPHPGT-RXMQYKEDSA-N -1 3 188.173 1.766 10 0 ADAEHM Cc1cc([O-])c(F)c(CON)c1 257964633 573208444 /nfs/dbraw/zinc/20/84/44/573208444.db2.gz HINFIBFMZZHPHH-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM CCc1nc2c(c(=O)[n-]1)SCCC2 238307389 573214235 /nfs/dbraw/zinc/21/42/35/573214235.db2.gz CJKSQBFTDQUANC-UHFFFAOYSA-N -1 3 196.275 1.371 10 0 ADAEHM Cc1noc(-c2cc(O)ccc2[O-])n1 235968919 573214498 /nfs/dbraw/zinc/21/44/98/573214498.db2.gz BTTPJUVANVWCSF-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM N=Cc1ccccc1C(=O)[O-] 104723365 573219240 /nfs/dbraw/zinc/21/92/40/573219240.db2.gz OASZWBRILVKUNV-UHFFFAOYSA-N -1 3 149.149 1.382 10 0 ADAEHM CC(C)c1cc([C@H](N)CC(=O)[O-])no1 107188662 573224334 /nfs/dbraw/zinc/22/43/34/573224334.db2.gz JDXUKQUFPWYBHK-ZCFIWIBFSA-N -1 3 198.222 1.273 10 0 ADAEHM O=Cc1c(F)c([O-])cc2c1OCO2 257975808 573227763 /nfs/dbraw/zinc/22/77/63/573227763.db2.gz ZCAPQTDMSLSASJ-UHFFFAOYSA-N -1 3 184.122 1.073 10 0 ADAEHM CN[C@@H](C)c1cc(C(=O)[O-])ccc1F 238323466 573234458 /nfs/dbraw/zinc/23/44/58/573234458.db2.gz XYGZRACHRLKBNP-LURJTMIESA-N -1 3 197.209 1.804 10 0 ADAEHM CN[C@@H](C)c1cc(C(=O)[O-])ccn1 238323487 573235265 /nfs/dbraw/zinc/23/52/65/573235265.db2.gz QRKCLCJXGPQYRG-LURJTMIESA-N -1 3 180.207 1.060 10 0 ADAEHM C[C@@H]1c2cccc([O-])c2C(=O)N1C 115946260 573235466 /nfs/dbraw/zinc/23/54/66/573235466.db2.gz QCJZSVWQMQPKNH-ZCFIWIBFSA-N -1 3 177.203 1.539 10 0 ADAEHM O=C([O-])CCCCN1CC[C@H](F)C1 689936315 573235802 /nfs/dbraw/zinc/23/58/02/573235802.db2.gz RGNXWRAGYKDDRV-QMMMGPOBSA-N -1 3 189.230 1.285 10 0 ADAEHM Cc1cc([O-])c(C(=O)N(C)C)cc1O 238314493 573240885 /nfs/dbraw/zinc/24/08/85/573240885.db2.gz LEBABSKEIGPSMO-UHFFFAOYSA-N -1 3 195.218 1.108 10 0 ADAEHM Nc1n[nH]cc1-c1cc(F)ccc1[O-] 257977051 573241037 /nfs/dbraw/zinc/24/10/37/573241037.db2.gz DILPHKDORJXJFB-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM C[C@@H]1Oc2cccc([O-])c2NC1=O 259390288 573241078 /nfs/dbraw/zinc/24/10/78/573241078.db2.gz WRNYTQDXOVRDLC-YFKPBYRVSA-N -1 3 179.175 1.112 10 0 ADAEHM COC(=O)[N-]Sc1ccc(N)cc1 238315231 573241479 /nfs/dbraw/zinc/24/14/79/573241479.db2.gz YGLYVWIKPPNRDF-UHFFFAOYSA-N -1 3 198.247 1.632 10 0 ADAEHM N#C[N-]C(=O)c1ccoc1Cl 236038774 573243543 /nfs/dbraw/zinc/24/35/43/573243543.db2.gz OSYMHLLAOCFXMU-UHFFFAOYSA-N -1 3 170.555 1.144 10 0 ADAEHM O=c1[nH][n-]cc1-c1ccncc1 116037161 573245852 /nfs/dbraw/zinc/24/58/52/573245852.db2.gz FHQLIKBTDGAICM-UHFFFAOYSA-N -1 3 161.164 1.177 10 0 ADAEHM COC(C)(C)c1nnc(Cl)[n-]1 86075601 573246567 /nfs/dbraw/zinc/24/65/67/573246567.db2.gz WKLOAODPPOGJRW-UHFFFAOYSA-N -1 3 175.619 1.340 10 0 ADAEHM COC(C)(C)c1n[n-]c(Cl)n1 86075601 573246569 /nfs/dbraw/zinc/24/65/69/573246569.db2.gz WKLOAODPPOGJRW-UHFFFAOYSA-N -1 3 175.619 1.340 10 0 ADAEHM COC(C)(C)c1nc(Cl)n[n-]1 86075601 573246574 /nfs/dbraw/zinc/24/65/74/573246574.db2.gz WKLOAODPPOGJRW-UHFFFAOYSA-N -1 3 175.619 1.340 10 0 ADAEHM O=C1[N-]c2cc(Cl)cc(F)c2C1=O 116069416 573246916 /nfs/dbraw/zinc/24/69/16/573246916.db2.gz DUGKMJMMYFYCOO-UHFFFAOYSA-N -1 3 199.568 1.614 10 0 ADAEHM C[C@H]1Oc2cccc([O-])c2NC1=O 259390277 573247003 /nfs/dbraw/zinc/24/70/03/573247003.db2.gz WRNYTQDXOVRDLC-RXMQYKEDSA-N -1 3 179.175 1.112 10 0 ADAEHM CCO[N-]C(=O)/C=C/c1cncs1 393578563 573249432 /nfs/dbraw/zinc/24/94/32/573249432.db2.gz CETOKQQFBZKVNM-ONEGZZNKSA-N -1 3 198.247 1.224 10 0 ADAEHM CCN1CC=C([C@H](C)C(=O)[O-])CC1 257983783 573250836 /nfs/dbraw/zinc/25/08/36/573250836.db2.gz HJEJUNNKQRAKCV-QMMMGPOBSA-N -1 3 183.251 1.359 10 0 ADAEHM COC(=O)Nc1ccc([O-])cc1F 82879409 573255360 /nfs/dbraw/zinc/25/53/60/573255360.db2.gz PHXJWYHVDPDPOW-UHFFFAOYSA-N -1 3 185.154 1.710 10 0 ADAEHM C=CC(=O)Nc1ccc([O-])c(F)c1 82878375 573255376 /nfs/dbraw/zinc/25/53/76/573255376.db2.gz HMQDIFYWMKZMSZ-UHFFFAOYSA-N -1 3 181.166 1.656 10 0 ADAEHM N#C[N-]C(=O)c1cc(F)ccc1F 86076896 573255470 /nfs/dbraw/zinc/25/54/70/573255470.db2.gz IQBNLWLVCGZMSQ-UHFFFAOYSA-N -1 3 182.129 1.176 10 0 ADAEHM CC(C)c1c[nH]c([C@H](N)CC(=O)[O-])n1 259054805 573256259 /nfs/dbraw/zinc/25/62/59/573256259.db2.gz IZKYNINUPOFDQK-ZCFIWIBFSA-N -1 3 197.238 1.008 10 0 ADAEHM NC(=O)Nc1ccc([O-])cc1Cl 82879832 573256285 /nfs/dbraw/zinc/25/62/85/573256285.db2.gz DCVUUOAPQPSFPG-UHFFFAOYSA-N -1 3 186.598 1.536 10 0 ADAEHM [O-]c1c(F)cccc1C1(O)CC1 257980884 573256839 /nfs/dbraw/zinc/25/68/39/573256839.db2.gz JSJNJOLQGIGQHC-UHFFFAOYSA-N -1 3 168.167 1.513 10 0 ADAEHM COCCc1ncc2c([O-])cccn12 258261519 573257161 /nfs/dbraw/zinc/25/71/61/573257161.db2.gz MVSUXIZXQKDTFO-UHFFFAOYSA-N -1 3 192.218 1.229 10 0 ADAEHM Cc1ccc(F)c(C(=O)[N-]C#N)c1 86085171 573257215 /nfs/dbraw/zinc/25/72/15/573257215.db2.gz UXHLSBIONYUZNH-UHFFFAOYSA-N -1 3 178.166 1.345 10 0 ADAEHM Nc1cnoc1-c1ccccc1[O-] 257981623 573257815 /nfs/dbraw/zinc/25/78/15/573257815.db2.gz ZUTLVSLJOOBWDP-UHFFFAOYSA-N -1 3 176.175 1.629 10 0 ADAEHM CC[C@H]1[N-]c2nonc2N=C[C@H]1C 238318926 573257928 /nfs/dbraw/zinc/25/79/28/573257928.db2.gz JZQHOXFQMWDEKX-PHDIDXHHSA-N -1 3 180.211 1.612 10 0 ADAEHM [O-]c1ccccc1-c1ncc(CO)o1 257979952 573258042 /nfs/dbraw/zinc/25/80/42/573258042.db2.gz HKNWNLWUJFNVTR-UHFFFAOYSA-N -1 3 191.186 1.540 10 0 ADAEHM C[C@H](CO)c1cccc(F)c1[O-] 257984894 573261085 /nfs/dbraw/zinc/26/10/85/573261085.db2.gz KBGFVCNATNCBGV-ZCFIWIBFSA-N -1 3 170.183 1.627 10 0 ADAEHM Cc1cn(C)c(=O)c2c([O-])cccc12 258272872 573270193 /nfs/dbraw/zinc/27/01/93/573270193.db2.gz RCMRJFPLYGWUQI-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM Cc1ccc([C@@]2(C(=O)[O-])CCCN2)o1 258271293 573272862 /nfs/dbraw/zinc/27/28/62/573272862.db2.gz UPWVLBKDSLKTSV-SNVBAGLBSA-N -1 3 195.218 1.251 10 0 ADAEHM COc1cc([O-])c(F)c(CN)c1F 257991513 573277226 /nfs/dbraw/zinc/27/72/26/573277226.db2.gz FROMJWHTIYMZCW-UHFFFAOYSA-N -1 3 189.161 1.138 10 0 ADAEHM CN[C@H](C)c1cc(F)c([O-])cc1F 238331381 573277284 /nfs/dbraw/zinc/27/72/84/573277284.db2.gz KJCSUFVOLICJTL-RXMQYKEDSA-N -1 3 187.189 1.951 10 0 ADAEHM COc1cc(C)cc2c([O-])c(C)oc12 105738160 573279551 /nfs/dbraw/zinc/27/95/51/573279551.db2.gz BPHSXEFPJFHUMF-SSDOTTSWSA-N -1 3 192.214 1.967 10 0 ADAEHM CN[C@@H](C)c1cccc(C(=O)[O-])n1 238332776 573281883 /nfs/dbraw/zinc/28/18/83/573281883.db2.gz GFSSCSLOBLEARW-LURJTMIESA-N -1 3 180.207 1.060 10 0 ADAEHM CN[C@@H](C)c1ccc([O-])c(F)c1F 238331694 573281933 /nfs/dbraw/zinc/28/19/33/573281933.db2.gz BBNAEHOKQZVEHQ-YFKPBYRVSA-N -1 3 187.189 1.951 10 0 ADAEHM CN[C@@H](C)c1cccc(C(=O)[O-])c1F 238332759 573283806 /nfs/dbraw/zinc/28/38/06/573283806.db2.gz NGGRVYOZRZFSKA-LURJTMIESA-N -1 3 197.209 1.804 10 0 ADAEHM CN[C@H](C)c1cc([O-])c(F)c(F)c1 238332548 573284561 /nfs/dbraw/zinc/28/45/61/573284561.db2.gz UZYIIIBQXMINLI-RXMQYKEDSA-N -1 3 187.189 1.951 10 0 ADAEHM C[C@H](O)c1ccc([O-])cc1C=O 257994910 573288146 /nfs/dbraw/zinc/28/81/46/573288146.db2.gz LBMSJFSYNXGDNO-LURJTMIESA-N -1 3 166.176 1.258 10 0 ADAEHM CCc1cc([O-])c(F)c(C(=O)OC)c1 238335283 573293983 /nfs/dbraw/zinc/29/39/83/573293983.db2.gz YYSRZNFHJYLLTI-UHFFFAOYSA-N -1 3 198.193 1.880 10 0 ADAEHM N[C@H](c1ccccc1)c1cc(=O)[nH][n-]1 74276376 573294119 /nfs/dbraw/zinc/29/41/19/573294119.db2.gz PXPAJBGYRFBVHY-SNVBAGLBSA-N -1 3 189.218 1.163 10 0 ADAEHM COc1c(F)cc(F)c([O-])c1CO 257996674 573294151 /nfs/dbraw/zinc/29/41/51/573294151.db2.gz GBLFAERMUXPLPU-UHFFFAOYSA-N -1 3 190.145 1.171 10 0 ADAEHM COc1c([O-])cc(C2(O)CC2)cc1F 257998854 573297742 /nfs/dbraw/zinc/29/77/42/573297742.db2.gz GEDSWAYZWBSIOY-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM Cc1ccc([C@H](N)C(=O)[O-])c(C)c1O 257998997 573298051 /nfs/dbraw/zinc/29/80/51/573298051.db2.gz GGPCOPFHQBKTIJ-QMMMGPOBSA-N -1 3 195.218 1.093 10 0 ADAEHM Cc1c([O-])c2ccc(N)cc2[nH]c1=O 106604729 573306266 /nfs/dbraw/zinc/30/62/66/573306266.db2.gz DITQXLKOCKGNDG-RXMQYKEDSA-N -1 3 190.202 1.040 10 0 ADAEHM O=C([N-]Cc1cscn1)C(F)F 236137188 573308059 /nfs/dbraw/zinc/30/80/59/573308059.db2.gz ZPJQUKDOPSFZBN-UHFFFAOYSA-N -1 3 192.190 1.024 10 0 ADAEHM COc1cc(F)c(C(F)F)[n-]c1=O 238345707 573309996 /nfs/dbraw/zinc/30/99/96/573309996.db2.gz JTSIURIDQDMDMC-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM COc1cc(F)c(C(F)F)c(=O)[n-]1 238345268 573310164 /nfs/dbraw/zinc/31/01/64/573310164.db2.gz JZWGWPKKFRYRFI-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM C=Cc1c(C)cncc1[O-] 209763219 573310329 /nfs/dbraw/zinc/31/03/29/573310329.db2.gz UKOCRWZFUMEAGW-UHFFFAOYSA-N -1 3 135.166 1.739 10 0 ADAEHM [O-]c1cccc([C@H]2CNCCO2)c1F 106874014 573323658 /nfs/dbraw/zinc/32/36/58/573323658.db2.gz IFESOUNSXZOSHM-SECBINFHSA-N -1 3 197.209 1.192 10 0 ADAEHM CNC(=O)N([O-])c1c(C)cccc1C 238341092 573324181 /nfs/dbraw/zinc/32/41/81/573324181.db2.gz ITYPKMIYUNYTEK-UHFFFAOYSA-N -1 3 194.234 1.838 10 0 ADAEHM CNC(=O)c1cccc([O-])c1SC 238343246 573328510 /nfs/dbraw/zinc/32/85/10/573328510.db2.gz XSSXXXHYWXYXPP-UHFFFAOYSA-N -1 3 197.259 1.474 10 0 ADAEHM O=C1[N-][C@@H]2CC=C[C@@H]2C1(Cl)Cl 143596369 573330996 /nfs/dbraw/zinc/33/09/96/573330996.db2.gz GYJFIYDZTXILCF-CRCLSJGQSA-N -1 3 192.045 1.235 10 0 ADAEHM C[N-]C(=S)C(=O)Nc1ccccc1 238358208 573331126 /nfs/dbraw/zinc/33/11/26/573331126.db2.gz KXHYRJCTVYWQKK-UHFFFAOYSA-N -1 3 194.259 1.172 10 0 ADAEHM COC(OC)c1ccc(O)cc1[O-] 238354539 573339022 /nfs/dbraw/zinc/33/90/22/573339022.db2.gz PHVAIXZJUSWWNP-UHFFFAOYSA-N -1 3 184.191 1.389 10 0 ADAEHM COc1nc(C(F)F)c([O-])cc1N 238362411 573343431 /nfs/dbraw/zinc/34/34/31/573343431.db2.gz CWZMCOURBDPEDA-UHFFFAOYSA-N -1 3 190.149 1.316 10 0 ADAEHM CCc1ccc(C)c2c1C(=O)C(=O)[N-]2 238356177 573344593 /nfs/dbraw/zinc/34/45/93/573344593.db2.gz WHZIKECUKMZKNV-UHFFFAOYSA-N -1 3 189.214 1.692 10 0 ADAEHM CCCn1c(SC2CC2)n[n-]c1=O 308354039 573344751 /nfs/dbraw/zinc/34/47/51/573344751.db2.gz KAYHVPQFSYLUIO-UHFFFAOYSA-N -1 3 199.279 1.648 10 0 ADAEHM COc1ccc(C2(O)CC2)c(F)c1[O-] 258006135 573350636 /nfs/dbraw/zinc/35/06/36/573350636.db2.gz GWCYLIVQOUPOBP-UHFFFAOYSA-N -1 3 198.193 1.521 10 0 ADAEHM CN1CCC(F)(F)[C@@](C)(C(=O)[O-])C1 214712058 573346885 /nfs/dbraw/zinc/34/68/85/573346885.db2.gz DJDZBWBNHBPBDM-SSDOTTSWSA-N -1 3 193.193 1.048 10 0 ADAEHM [O-]c1ccc(F)c(CCCO)c1F 258006254 573353553 /nfs/dbraw/zinc/35/35/53/573353553.db2.gz HBBRIQSZANAGNY-UHFFFAOYSA-N -1 3 188.173 1.595 10 0 ADAEHM C[C@@H](O)c1c(F)c([O-])cc(O)c1F 258009054 573353626 /nfs/dbraw/zinc/35/36/26/573353626.db2.gz HHNIAOQVOLMKID-GSVOUGTGSA-N -1 3 190.145 1.429 10 0 ADAEHM COC(=O)c1oc(=O)[n-]c1C(C)(C)C 238367617 573353710 /nfs/dbraw/zinc/35/37/10/573353710.db2.gz VDLGNOWLUPDAEB-UHFFFAOYSA-N -1 3 199.206 1.052 10 0 ADAEHM [O-]c1ccccc1-c1nncs1 107126217 573364000 /nfs/dbraw/zinc/36/40/00/573364000.db2.gz DZYFKLJGNCDPMP-UHFFFAOYSA-N -1 3 178.216 1.911 10 0 ADAEHM CO[C@@H]1CC(c2ccccc2[O-])=NO1 238361296 573365895 /nfs/dbraw/zinc/36/58/95/573365895.db2.gz CXPHQUXQNRFIKV-JTQLQIEISA-N -1 3 193.202 1.489 10 0 ADAEHM CC(C)(O)c1cc(F)cc(F)c1[O-] 258013907 573373238 /nfs/dbraw/zinc/37/32/38/573373238.db2.gz HODCFZHUJCLMFF-UHFFFAOYSA-N -1 3 188.173 1.898 10 0 ADAEHM CN1CCC([C@@H](C(=O)[O-])C2CC2)CC1 107140584 573374386 /nfs/dbraw/zinc/37/43/86/573374386.db2.gz KSSSWXAAECPJJR-JTQLQIEISA-N -1 3 197.278 1.439 10 0 ADAEHM C[C@H](CO)c1cc([O-])c(F)cc1F 258014229 573374527 /nfs/dbraw/zinc/37/45/27/573374527.db2.gz HQUFWHBQIYFRMG-RXMQYKEDSA-N -1 3 188.173 1.766 10 0 ADAEHM Cc1cc(CON)cc([O-])c1F 258014430 573374563 /nfs/dbraw/zinc/37/45/63/573374563.db2.gz NIGDIBUPBNUEMF-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM COc1cc([O-])c2c(c1)OC(=O)CC2 238371974 573374889 /nfs/dbraw/zinc/37/48/89/573374889.db2.gz GIZFBAOKNAMRHB-UHFFFAOYSA-N -1 3 194.186 1.252 10 0 ADAEHM COc1cc([O-])c2c(c1C)C(=O)OC2 238372336 573374933 /nfs/dbraw/zinc/37/49/33/573374933.db2.gz BOOWFUKCDFTFIA-UHFFFAOYSA-N -1 3 194.186 1.380 10 0 ADAEHM CN1CCC([C@H](C(=O)[O-])C2CC2)CC1 107140583 573375005 /nfs/dbraw/zinc/37/50/05/573375005.db2.gz KSSSWXAAECPJJR-SNVBAGLBSA-N -1 3 197.278 1.439 10 0 ADAEHM CN1CC[C@H](C(F)(F)CC(=O)[O-])C1 257810573 573394127 /nfs/dbraw/zinc/39/41/27/573394127.db2.gz ANGWRZYWOGJFGU-LURJTMIESA-N -1 3 193.193 1.048 10 0 ADAEHM CCn1[nH]c(=O)c2ccc([O-])cc21 257810243 573395641 /nfs/dbraw/zinc/39/56/41/573395641.db2.gz AHOFYVDDKOHZKL-UHFFFAOYSA-N -1 3 178.191 1.055 10 0 ADAEHM CCn1[n-]c(=O)c2ccc(O)cc21 257810243 573395643 /nfs/dbraw/zinc/39/56/43/573395643.db2.gz AHOFYVDDKOHZKL-UHFFFAOYSA-N -1 3 178.191 1.055 10 0 ADAEHM CC(C)Cn1[n-]c2c(c1=O)CN(C)C2 257810098 573395834 /nfs/dbraw/zinc/39/58/34/573395834.db2.gz ADUZURZXLQJUIC-UHFFFAOYSA-N -1 3 195.266 1.190 10 0 ADAEHM O=C([O-])[C@H]1C[C@H]1CNCc1ccco1 258642917 573396141 /nfs/dbraw/zinc/39/61/41/573396141.db2.gz LWUIZEQFCFTRRL-CBAPKCEASA-N -1 3 195.218 1.090 10 0 ADAEHM COc1nc([N-]c2ccccc2)no1 238380001 573396214 /nfs/dbraw/zinc/39/62/14/573396214.db2.gz HJCWOQRPDQZFIQ-UHFFFAOYSA-N -1 3 191.190 1.822 10 0 ADAEHM O=C1CCON1c1ccccc1[O-] 257810982 573401599 /nfs/dbraw/zinc/40/15/99/573401599.db2.gz AUMRIZZVFLAIQQ-UHFFFAOYSA-N -1 3 179.175 1.061 10 0 ADAEHM COc1cccc([C@@H](N)C(=O)[O-])c1C 107184544 573402879 /nfs/dbraw/zinc/40/28/79/573402879.db2.gz DFUSPECOWLLUPH-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM COc1cc(-c2nnco2)ccc1[O-] 238388220 573402966 /nfs/dbraw/zinc/40/29/66/573402966.db2.gz UNMFOXDRBNQGPM-UHFFFAOYSA-N -1 3 192.174 1.451 10 0 ADAEHM NOCc1cc([O-])ccc1Cl 258020322 573405193 /nfs/dbraw/zinc/40/51/93/573405193.db2.gz OBWGPEBKHDDFTP-UHFFFAOYSA-N -1 3 173.599 1.436 10 0 ADAEHM COc1cc(=O)c(C(F)F)c([O-])[nH]1 238389138 573405346 /nfs/dbraw/zinc/40/53/46/573405346.db2.gz QIPVKXUGFWNOSD-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM COc1cc([O-])c(C(F)F)c(=O)[nH]1 238389138 573405353 /nfs/dbraw/zinc/40/53/53/573405353.db2.gz QIPVKXUGFWNOSD-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM Cc1cc(C)nc(NCCC(=O)[O-])c1 107183020 573405610 /nfs/dbraw/zinc/40/56/10/573405610.db2.gz DTGALCBJRNWFPL-UHFFFAOYSA-N -1 3 194.234 1.585 10 0 ADAEHM COc1cc2c([O-])coc2cc1C 238389143 573405849 /nfs/dbraw/zinc/40/58/49/573405849.db2.gz PGSYMKCFRMXVCE-UHFFFAOYSA-N -1 3 178.187 1.579 10 0 ADAEHM COc1cccc([C@H](N)C(=O)[O-])c1C 107184542 573406143 /nfs/dbraw/zinc/40/61/43/573406143.db2.gz DFUSPECOWLLUPH-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM Cc1cccc(N([O-])N=O)c1 39090941 573406247 /nfs/dbraw/zinc/40/62/47/573406247.db2.gz FLSBAXTVSIJQAN-UHFFFAOYSA-N -1 3 152.153 1.872 10 0 ADAEHM CCc1c(N)nc(C2CCC2)[n-]c1=O 83120164 573412322 /nfs/dbraw/zinc/41/23/22/573412322.db2.gz GYPPAVZOBHSFIE-UHFFFAOYSA-N -1 3 193.250 1.182 10 0 ADAEHM CC(C)C[C@](N)(C(=O)[O-])[C@H](C)F 257811179 573414881 /nfs/dbraw/zinc/41/48/81/573414881.db2.gz AYJGTJWAIYGIAP-POYBYMJQSA-N -1 3 177.219 1.173 10 0 ADAEHM COCc1cc(=O)[n-]c(C2CCC2)n1 83120188 573414981 /nfs/dbraw/zinc/41/49/81/573414981.db2.gz WDULBXVERYWQPT-UHFFFAOYSA-N -1 3 194.234 1.184 10 0 ADAEHM COc1ccnc(C(F)F)c1[O-] 238383130 573418852 /nfs/dbraw/zinc/41/88/52/573418852.db2.gz DPOCCOIBKQAPDX-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM Cc1c([O-])ccc(C(=O)CN)c1C 258026518 573423126 /nfs/dbraw/zinc/42/31/26/573423126.db2.gz ONUBBHVZQZOHSE-UHFFFAOYSA-N -1 3 179.219 1.150 10 0 ADAEHM CCn1[n-]c(=O)c2cc(C=O)ccc21 257811816 573429777 /nfs/dbraw/zinc/42/97/77/573429777.db2.gz BITIDOXDNXNLQD-UHFFFAOYSA-N -1 3 190.202 1.574 10 0 ADAEHM CC(C)N1Cc2[n-]oc(=O)c2[C@H]1C 107229344 573436203 /nfs/dbraw/zinc/43/62/03/573436203.db2.gz RHVQVZMJRGVSLJ-ZCFIWIBFSA-N -1 3 182.223 1.253 10 0 ADAEHM COc1cc([O-])c(F)c(CC(C)=O)c1 258021555 573436318 /nfs/dbraw/zinc/43/63/18/573436318.db2.gz IEQZKWABAILEAY-UHFFFAOYSA-N -1 3 198.193 1.671 10 0 ADAEHM COc1cc([O-])c([C@H](C)O)c(F)c1 258021819 573436330 /nfs/dbraw/zinc/43/63/30/573436330.db2.gz IKHBVKCHZFXQIZ-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM CC(C)[C@@H]1NCCc2c1[n-]oc2=O 107229319 573436354 /nfs/dbraw/zinc/43/63/54/573436354.db2.gz WZJFNEOJQBYZOU-ZETCQYMHSA-N -1 3 182.223 1.223 10 0 ADAEHM N[C@@H](/C=C/c1ccc(F)cc1)C(=O)[O-] 257812561 573436494 /nfs/dbraw/zinc/43/64/94/573436494.db2.gz BTYHDJXBRXYQMR-SWTNXBIASA-N -1 3 195.193 1.251 10 0 ADAEHM COc1[nH]c([O-])cc(=O)c1C(F)F 238395711 573436867 /nfs/dbraw/zinc/43/68/67/573436867.db2.gz UNYLYFRMANSUIQ-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM COc1cc([O-])c([C@@H](C)O)c(F)c1 258021817 573436869 /nfs/dbraw/zinc/43/68/69/573436869.db2.gz IKHBVKCHZFXQIZ-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM N[C@@H](c1ccccc1)c1cc(=O)o[n-]1 107233062 573437068 /nfs/dbraw/zinc/43/70/68/573437068.db2.gz PCROTYLLNAVBJW-JTQLQIEISA-N -1 3 190.202 1.016 10 0 ADAEHM CC(C)n1[n-]c2c(O)cccc2c1=O 257812835 573437179 /nfs/dbraw/zinc/43/71/79/573437179.db2.gz BWNUGPPISHNNAU-UHFFFAOYSA-N -1 3 192.218 1.616 10 0 ADAEHM COC(=O)c1ccc2n[n-]nc2c1C 118875080 573437311 /nfs/dbraw/zinc/43/73/11/573437311.db2.gz NYFLCIHWJJVVKI-UHFFFAOYSA-N -1 3 191.190 1.053 10 0 ADAEHM CCn1oc(=O)c2ccc([O-])cc21 257813164 573437314 /nfs/dbraw/zinc/43/73/14/573437314.db2.gz BZWCZLFYTJVNFK-UHFFFAOYSA-N -1 3 179.175 1.320 10 0 ADAEHM CC(=O)c1onc2ccc([O-])cc12 257813551 573443112 /nfs/dbraw/zinc/44/31/12/573443112.db2.gz CDLLHZCIGQKHLC-UHFFFAOYSA-N -1 3 177.159 1.736 10 0 ADAEHM COc1cc([O-])ccc1[S@](C)=O 238398289 573445749 /nfs/dbraw/zinc/44/57/49/573445749.db2.gz CKCCQICEKHDKKP-LBPRGKRZSA-N -1 3 186.232 1.138 10 0 ADAEHM COc1c[n-]c(C(F)F)c(O)c1=O 238399307 573445987 /nfs/dbraw/zinc/44/59/87/573445987.db2.gz VNJAROIAVZGDJN-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM C[C@@H]1CC(=O)N(c2ccccc2[O-])N1 257817290 573451802 /nfs/dbraw/zinc/45/18/02/573451802.db2.gz DUSDRYODSHNSJM-SSDOTTSWSA-N -1 3 192.218 1.022 10 0 ADAEHM CN1CCC[C@@H]1c1oncc1C(=O)[O-] 257817275 573451884 /nfs/dbraw/zinc/45/18/84/573451884.db2.gz DUGLXYSYWCMBJS-SSDOTTSWSA-N -1 3 196.206 1.140 10 0 ADAEHM C[C@@H]1C=C[C@@H](C)[C@H]2C(=O)C=C([O-])[C@@H]12 238403407 573456907 /nfs/dbraw/zinc/45/69/07/573456907.db2.gz UBEXOKZKPJGPRB-CCXSFMJYSA-N -1 3 178.231 1.603 10 0 ADAEHM Cc1nc(C2CC2)c(C2CC2)c(=O)[n-]1 2507118 571873948 /nfs/dbraw/zinc/87/39/48/571873948.db2.gz FLJKQHRFKWEXAF-UHFFFAOYSA-N -1 3 190.246 1.833 10 0 ADAEHM [O-]c1ccc(OCCO)cc1Cl 39214260 571910353 /nfs/dbraw/zinc/91/03/53/571910353.db2.gz LEBIYCWVPHMSJW-UHFFFAOYSA-N -1 3 188.610 1.417 10 0 ADAEHM S=c1ccc(Br)n[n-]1 39222773 571912565 /nfs/dbraw/zinc/91/25/65/571912565.db2.gz HIZYNTWIXOGZHY-UHFFFAOYSA-N -1 3 191.053 1.528 10 0 ADAEHM CCCNCc1ncccc1C(=O)[O-] 300804943 571943263 /nfs/dbraw/zinc/94/32/63/571943263.db2.gz XAFFLDOFMQVTBT-UHFFFAOYSA-N -1 3 194.234 1.279 10 0 ADAEHM O=C([O-])/C=C/N1CCC[C@@H](CF)C1 711443901 571972197 /nfs/dbraw/zinc/97/21/97/571972197.db2.gz FOQVRQSQOAXJBT-WGAJWPLOSA-N -1 3 187.214 1.266 10 0 ADAEHM C[C@@H]1COc2cccc([O-])c2NC1=O 258390846 573465220 /nfs/dbraw/zinc/46/52/20/573465220.db2.gz BEDMQIVDGMRYHW-ZCFIWIBFSA-N -1 3 193.202 1.359 10 0 ADAEHM O=C([O-])c1cnoc1[C@@H]1CCCCN1 258390104 573467089 /nfs/dbraw/zinc/46/70/89/573467089.db2.gz BBDSQJWFFYYDAW-ZETCQYMHSA-N -1 3 196.206 1.187 10 0 ADAEHM COc1cc(C)ccc1[C@@H](N)C(=O)[O-] 75068153 573471800 /nfs/dbraw/zinc/47/18/00/573471800.db2.gz FAUSJSRFLFWPIU-SECBINFHSA-N -1 3 195.218 1.088 10 0 ADAEHM Cc1nc2cnn(C)c([S-])c-2n1 13218888 571978125 /nfs/dbraw/zinc/97/81/25/571978125.db2.gz FEXJGPGUZUNNHR-UHFFFAOYSA-N -1 3 180.236 1.334 10 0 ADAEHM Cc1nc2c(=S)n(C)ncc2[n-]1 13218888 571978128 /nfs/dbraw/zinc/97/81/28/571978128.db2.gz FEXJGPGUZUNNHR-UHFFFAOYSA-N -1 3 180.236 1.334 10 0 ADAEHM C[C@H](N/C=C\c1ccccc1)C(=O)[O-] 114030071 571989205 /nfs/dbraw/zinc/98/92/05/571989205.db2.gz RCESYKVVJOWLEC-FUOZMLNRSA-N -1 3 191.230 1.720 10 0 ADAEHM Cc1ccsc1CN([O-])C(N)=O 13762890 571989246 /nfs/dbraw/zinc/98/92/46/571989246.db2.gz VTZSNBXHPCCGMA-UHFFFAOYSA-N -1 3 186.236 1.326 10 0 ADAEHM C[C@@H]1CC(=O)Oc2cccc([O-])c21 238413565 573477877 /nfs/dbraw/zinc/47/78/77/573477877.db2.gz MTRSHPDJVWMMPZ-ZCFIWIBFSA-N -1 3 178.187 1.805 10 0 ADAEHM Cc1c([C@@H]2CCCCN2)[n-]oc1=O 107286012 573477882 /nfs/dbraw/zinc/47/78/82/573477882.db2.gz NDKBYVIJYDBBLP-ZETCQYMHSA-N -1 3 182.223 1.503 10 0 ADAEHM C[C@@H](c1ccsc1)N([O-])C(N)=O 13762881 571991288 /nfs/dbraw/zinc/99/12/88/571991288.db2.gz PFMLWNKVWINRRO-YFKPBYRVSA-N -1 3 186.236 1.579 10 0 ADAEHM Cc1c([C@H]2CCCCN2)[n-]oc1=O 107286014 573481571 /nfs/dbraw/zinc/48/15/71/573481571.db2.gz NDKBYVIJYDBBLP-SSDOTTSWSA-N -1 3 182.223 1.503 10 0 ADAEHM CC(C)(F)[C@@](N)(C(=O)[O-])C1CCC1 257818946 573485082 /nfs/dbraw/zinc/48/50/82/573485082.db2.gz FGROWVDVGVUIGV-VIFPVBQESA-N -1 3 189.230 1.317 10 0 ADAEHM [O-]C(=CC1=NCCO1)c1ccncc1 259107340 573492443 /nfs/dbraw/zinc/49/24/43/573492443.db2.gz HVUHEPLZGMTDCS-UHFFFAOYSA-N -1 3 190.202 1.083 10 0 ADAEHM Cc1cccc(NC(=O)N[O-])c1 34115454 572055192 /nfs/dbraw/zinc/05/51/92/572055192.db2.gz NWFZHUXUUHGSJJ-UHFFFAOYSA-N -1 3 166.180 1.506 10 0 ADAEHM Cc1cc2[n-]ncc(=O)c2cc1C 34127471 572058562 /nfs/dbraw/zinc/05/85/62/572058562.db2.gz FZKCLVQSJYORPG-UHFFFAOYSA-N -1 3 174.203 1.540 10 0 ADAEHM Cc1c([O-])ccc2c(N)cc(=O)oc12 34504501 572089510 /nfs/dbraw/zinc/08/95/10/572089510.db2.gz HXTVSSQUKWUYBC-UHFFFAOYSA-N -1 3 191.186 1.389 10 0 ADAEHM Cc1ccc([C@@H](N)C[C@H](C)C(=O)[O-])o1 259108187 573493687 /nfs/dbraw/zinc/49/36/87/573493687.db2.gz BIXZZAXOVNRONN-XPUUQOCRSA-N -1 3 197.234 1.699 10 0 ADAEHM CC(C)(C)CCCN1CC(=O)[N-]C1=O 300942350 572111296 /nfs/dbraw/zinc/11/12/96/572111296.db2.gz WGGVUUCHSQHMCU-UHFFFAOYSA-N -1 3 198.266 1.365 10 0 ADAEHM O=c1ccnc([C@@H]2Cc3ccccc32)[n-]1 83120183 572187381 /nfs/dbraw/zinc/18/73/81/572187381.db2.gz GJHSUGDIGUWIHX-SNVBAGLBSA-N -1 3 198.225 1.458 10 0 ADAEHM O=Cc1nc(-c2ccc([O-])cc2)no1 249917758 572196753 /nfs/dbraw/zinc/19/67/53/572196753.db2.gz TXLLDOAACXEOGR-UHFFFAOYSA-N -1 3 190.158 1.255 10 0 ADAEHM Cc1ccc([C@H](N)C[C@@H](C)C(=O)[O-])o1 259108184 573499214 /nfs/dbraw/zinc/49/92/14/573499214.db2.gz BIXZZAXOVNRONN-HTRCEHHLSA-N -1 3 197.234 1.699 10 0 ADAEHM C[C@H]1C=C([C@@H](N)C(=O)[O-])CC(C)(C)C1 238419085 573507269 /nfs/dbraw/zinc/50/72/69/573507269.db2.gz MDPOPCULSBFZGT-IONNQARKSA-N -1 3 197.278 1.781 10 0 ADAEHM COc1ncc(O)c(C(F)F)c1[O-] 238419320 573507282 /nfs/dbraw/zinc/50/72/82/573507282.db2.gz VYYOZURRDNHFHU-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM COc1ncc([O-])c(C(F)F)c1O 238419320 573507288 /nfs/dbraw/zinc/50/72/88/573507288.db2.gz VYYOZURRDNHFHU-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM CO[C@H](C)c1nnc(Cl)[n-]1 86591936 573507329 /nfs/dbraw/zinc/50/73/29/573507329.db2.gz KONCVHFAKVBHGF-GSVOUGTGSA-N -1 3 161.592 1.166 10 0 ADAEHM CO[C@H](C)c1n[n-]c(Cl)n1 86591936 573507336 /nfs/dbraw/zinc/50/73/36/573507336.db2.gz KONCVHFAKVBHGF-GSVOUGTGSA-N -1 3 161.592 1.166 10 0 ADAEHM CO[C@H](C)c1nc(Cl)n[n-]1 86591936 573507343 /nfs/dbraw/zinc/50/73/43/573507343.db2.gz KONCVHFAKVBHGF-GSVOUGTGSA-N -1 3 161.592 1.166 10 0 ADAEHM CC(C)Cc1nnc2ccc([O-])cn12 258050735 573511965 /nfs/dbraw/zinc/51/19/65/573511965.db2.gz SYJJGHCRVZFPHP-UHFFFAOYSA-N -1 3 191.234 1.633 10 0 ADAEHM C=C(C)CN1CC([C@@H](C)C(=O)[O-])C1 130187638 573512004 /nfs/dbraw/zinc/51/20/04/573512004.db2.gz KSUUFSVLIIPZIL-MRVPVSSYSA-N -1 3 183.251 1.215 10 0 ADAEHM C[C@H](C(=O)[O-])C1(F)CCN(C)CC1 257821950 573512011 /nfs/dbraw/zinc/51/20/11/573512011.db2.gz GEPZDLJLNXOQCE-SSDOTTSWSA-N -1 3 189.230 1.141 10 0 ADAEHM CNc1c[n-]n(C(C)C)c1=O 107326472 573512128 /nfs/dbraw/zinc/51/21/28/573512128.db2.gz RRBZDUDESKSUJD-UHFFFAOYSA-N -1 3 155.201 1.211 10 0 ADAEHM Cc1c(C2CCCC2)nc(N)[n-]c1=O 74247998 572504356 /nfs/dbraw/zinc/50/43/56/572504356.db2.gz WDNIXVLXZWXBGE-UHFFFAOYSA-N -1 3 193.250 1.318 10 0 ADAEHM CC(C)(N)c1nc2ccc([O-])cc2o1 74270297 572521741 /nfs/dbraw/zinc/52/17/41/572521741.db2.gz ZNKIQEUUQKKEMO-UHFFFAOYSA-N -1 3 192.218 1.727 10 0 ADAEHM C[C@@H](C(=O)[O-])C1(F)CCN(C)CC1 257821952 573513908 /nfs/dbraw/zinc/51/39/08/573513908.db2.gz GEPZDLJLNXOQCE-ZETCQYMHSA-N -1 3 189.230 1.141 10 0 ADAEHM CC(=O)c1cccc2nn[n-]c12 107327143 573518911 /nfs/dbraw/zinc/51/89/11/573518911.db2.gz KCTDLKNWRTWDEV-UHFFFAOYSA-N -1 3 161.164 1.161 10 0 ADAEHM CC(=O)c1cccc2[n-]nnc12 107327143 573518914 /nfs/dbraw/zinc/51/89/14/573518914.db2.gz KCTDLKNWRTWDEV-UHFFFAOYSA-N -1 3 161.164 1.161 10 0 ADAEHM CC(=O)c1cccc2n[n-]nc12 107327143 573518918 /nfs/dbraw/zinc/51/89/18/573518918.db2.gz KCTDLKNWRTWDEV-UHFFFAOYSA-N -1 3 161.164 1.161 10 0 ADAEHM C[C@H](O)c1cc([O-])c(F)cc1F 258052416 573531442 /nfs/dbraw/zinc/53/14/42/573531442.db2.gz RPQQLRNSQKPFRB-BYPYZUCNSA-N -1 3 174.146 1.724 10 0 ADAEHM C[C@@H](NN(C)C)c1ccc([O-])cc1F 235202296 572683915 /nfs/dbraw/zinc/68/39/15/572683915.db2.gz XVRWWIGRUMDZIY-SSDOTTSWSA-N -1 3 198.241 1.659 10 0 ADAEHM CN(C)[C@H](/C=C\C(=O)[O-])c1cc[nH]c1 714532910 572700454 /nfs/dbraw/zinc/70/04/54/572700454.db2.gz XORLXISLOLPVHU-ZBJFTSOASA-N -1 3 194.234 1.258 10 0 ADAEHM Cc1cccc([C@@H](F)[C@@H](N)C(=O)[O-])c1 257828983 573535353 /nfs/dbraw/zinc/53/53/53/573535353.db2.gz IPEMTNKFDDDGTD-RKDXNWHRSA-N -1 3 197.209 1.418 10 0 ADAEHM CO[S@@](=O)c1ccc([O-])cc1 238431058 573535387 /nfs/dbraw/zinc/53/53/87/573535387.db2.gz QXDAJHSKHUNNJR-LLVKDONJSA-N -1 3 172.205 1.061 10 0 ADAEHM Cn1ccc2c([O-])c(N)c(F)cc21 258054428 573536232 /nfs/dbraw/zinc/53/62/32/573536232.db2.gz RTWUMIZGTMINEU-UHFFFAOYSA-N -1 3 180.182 1.605 10 0 ADAEHM C[C@H](CC1=CCCN(C)C1)C(=O)[O-] 258054806 573536430 /nfs/dbraw/zinc/53/64/30/573536430.db2.gz LKXPRSFMGILCLZ-MRVPVSSYSA-N -1 3 183.251 1.359 10 0 ADAEHM COC(=O)c1c(C(C)C)c(=O)[n-]n1C 259493572 573536450 /nfs/dbraw/zinc/53/64/50/573536450.db2.gz SUPPISZETKQXAZ-UHFFFAOYSA-N -1 3 198.222 1.036 10 0 ADAEHM CC(=O)[N-]OCCCc1ccco1 75358617 573536554 /nfs/dbraw/zinc/53/65/54/573536554.db2.gz NEFCYJYQZISHEA-UHFFFAOYSA-N -1 3 183.207 1.280 10 0 ADAEHM CC(=O)c1ccc2c([O-])cccn12 196673037 572736256 /nfs/dbraw/zinc/73/62/56/572736256.db2.gz IUYSRCUEMJMFCD-UHFFFAOYSA-N -1 3 175.187 1.848 10 0 ADAEHM Cc1cc([O-])c(CON)cc1F 258054325 573536693 /nfs/dbraw/zinc/53/66/93/573536693.db2.gz RRLXCAQMYCSLLJ-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM Cc1ccccc1-n1[n-]cc(N)c1=O 107349780 573541656 /nfs/dbraw/zinc/54/16/56/573541656.db2.gz USFGRBRZHUNXCV-UHFFFAOYSA-N -1 3 189.218 1.469 10 0 ADAEHM CNc1c[n-]n(-c2ccccc2)c1=O 107349782 573541790 /nfs/dbraw/zinc/54/17/90/573541790.db2.gz LOKZZCKVHZHCRH-UHFFFAOYSA-N -1 3 189.218 1.620 10 0 ADAEHM COc1c([O-])cncc1C(F)F 238438847 573556939 /nfs/dbraw/zinc/55/69/39/573556939.db2.gz YMFGMUACBPUDFA-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM O=Cc1c([O-])ccc2c1OCCCO2 211907416 573557059 /nfs/dbraw/zinc/55/70/59/573557059.db2.gz YZVJMBCLSBJRLO-UHFFFAOYSA-N -1 3 194.186 1.366 10 0 ADAEHM [O-]c1ccc(C2=NCCCO2)cc1 141567382 572776988 /nfs/dbraw/zinc/77/69/88/572776988.db2.gz CRBHWWANTLIYTD-UHFFFAOYSA-N -1 3 177.203 1.559 10 0 ADAEHM N[C@H]1CC(=O)c2ccc([O-])c(Cl)c21 713752448 572787189 /nfs/dbraw/zinc/78/71/89/572787189.db2.gz FROWUMKVWJFPKK-YFKPBYRVSA-N -1 3 197.621 1.632 10 0 ADAEHM CNCc1ccc(C(=O)[O-])cc1OC 258061547 573559607 /nfs/dbraw/zinc/55/96/07/573559607.db2.gz GJEDYPGNINCMCY-UHFFFAOYSA-N -1 3 195.218 1.113 10 0 ADAEHM Cc1nc(-c2n[n-]c(=O)o2)cs1 83576408 573559853 /nfs/dbraw/zinc/55/98/53/573559853.db2.gz QCVAXDBJCROQHE-UHFFFAOYSA-N -1 3 183.192 1.207 10 0 ADAEHM N[C@@H]1CC(=O)c2c([O-])ccc(Cl)c21 713752701 572787117 /nfs/dbraw/zinc/78/71/17/572787117.db2.gz IJRRISGXCQRLSX-RXMQYKEDSA-N -1 3 197.621 1.632 10 0 ADAEHM CN[C@@H](C)c1onc2c([O-])cccc12 257830710 573561736 /nfs/dbraw/zinc/56/17/36/573561736.db2.gz JDERDZAZNMXNCR-LURJTMIESA-N -1 3 192.218 1.814 10 0 ADAEHM Cc1ncoc1-c1cnc(C=O)[n-]1 75408220 572843863 /nfs/dbraw/zinc/84/38/63/572843863.db2.gz NMYDEWDDPWHUDE-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1ncoc1-c1c[n-]c(C=O)n1 75408220 572843867 /nfs/dbraw/zinc/84/38/67/572843867.db2.gz NMYDEWDDPWHUDE-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM O=C([O-])/C=C1\CCN2CCCC[C@@H]2C1 71482016 572844061 /nfs/dbraw/zinc/84/40/61/572844061.db2.gz VXIUFHMUFKAGSH-AAXQSMANSA-N -1 3 195.262 1.646 10 0 ADAEHM Cc1ncc(-c2cnc(C=O)[n-]2)o1 75408213 572844111 /nfs/dbraw/zinc/84/41/11/572844111.db2.gz GJXOPVCGOCYYDT-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM Cc1ncc(-c2c[n-]c(C=O)n2)o1 75408213 572844115 /nfs/dbraw/zinc/84/41/15/572844115.db2.gz GJXOPVCGOCYYDT-UHFFFAOYSA-N -1 3 177.163 1.186 10 0 ADAEHM CC(C)C[C@@](N)(C(=O)[O-])C(C)(C)F 257831397 573562957 /nfs/dbraw/zinc/56/29/57/573562957.db2.gz JJNOLKCAWCRNFJ-SECBINFHSA-N -1 3 191.246 1.563 10 0 ADAEHM NOCCc1cc(F)c(F)cc1[O-] 258061839 573563619 /nfs/dbraw/zinc/56/36/19/573563619.db2.gz LMFJVEBLIIGPDO-UHFFFAOYSA-N -1 3 189.161 1.103 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)CC(C)C 307970652 572871435 /nfs/dbraw/zinc/87/14/35/572871435.db2.gz GVKCKTZAFMKDQU-QMMMGPOBSA-N -1 3 173.256 1.879 10 0 ADAEHM CO[S@](=O)c1ccc([O-])cc1 238432838 573568209 /nfs/dbraw/zinc/56/82/09/573568209.db2.gz QXDAJHSKHUNNJR-NSHDSACASA-N -1 3 172.205 1.061 10 0 ADAEHM CC(=O)c1n[n-]nc1-c1cocc1C 75615100 572890019 /nfs/dbraw/zinc/89/00/19/572890019.db2.gz FPUPLVOGXKGSLI-UHFFFAOYSA-N -1 3 191.190 1.576 10 0 ADAEHM C[C@@H](O)c1ncc2c([O-])cccn12 257831999 573568310 /nfs/dbraw/zinc/56/83/10/573568310.db2.gz JXLFRRXBDGDMJC-ZCFIWIBFSA-N -1 3 178.191 1.093 10 0 ADAEHM CC(C)(C)[C@@](N)(C(=O)[O-])C(C)(C)F 257832455 573572954 /nfs/dbraw/zinc/57/29/54/573572954.db2.gz JUEOHDYVEBPOKF-VIFPVBQESA-N -1 3 191.246 1.563 10 0 ADAEHM Cc1ncc([C@H](C)O)c(C=N)c1[O-] 238444185 573573047 /nfs/dbraw/zinc/57/30/47/573573047.db2.gz LXFQFHYKPUJCIN-LURJTMIESA-N -1 3 180.207 1.147 10 0 ADAEHM COc1c(O)cc(C)c(N=O)c1[O-] 238433545 573573064 /nfs/dbraw/zinc/57/30/64/573573064.db2.gz WUULOXCBWCWRHA-UHFFFAOYSA-N -1 3 183.163 1.813 10 0 ADAEHM Cc1cc([S@](C)=O)ccc1[O-] 144347136 573576766 /nfs/dbraw/zinc/57/67/66/573576766.db2.gz TYCDPSPDTPBLRQ-LLVKDONJSA-N -1 3 170.233 1.438 10 0 ADAEHM NOCc1cc2ccccc2cc1[O-] 258209649 572999015 /nfs/dbraw/zinc/99/90/15/572999015.db2.gz ZDSXKSKBBCULNJ-UHFFFAOYSA-N -1 3 189.214 1.936 10 0 ADAEHM CCNc1cc(=O)[n-]c(C(C)(C)C)n1 87909291 572998776 /nfs/dbraw/zinc/99/87/76/572998776.db2.gz AIBMANWJFNPQMF-UHFFFAOYSA-N -1 3 195.266 1.499 10 0 ADAEHM NNc1cc(Cl)ccc1[O-] 104538530 573000074 /nfs/dbraw/zinc/00/00/74/573000074.db2.gz ZOGPTJMMIFDHIF-UHFFFAOYSA-N -1 3 158.588 1.331 10 0 ADAEHM CCCCSC(=S)[N-]N 104534319 573000102 /nfs/dbraw/zinc/00/01/02/573000102.db2.gz XMEGFGKLMZOUTD-UHFFFAOYSA-N -1 3 164.299 1.268 10 0 ADAEHM Nc1ccncc1[C@H]1CC[C@@H]1C(=O)[O-] 87925097 573010732 /nfs/dbraw/zinc/01/07/32/573010732.db2.gz PZEZXKYERFQBAC-BQBZGAKWSA-N -1 3 192.218 1.242 10 0 ADAEHM O=C([O-])c1ocnc1[C@H]1CCCCN1 258226192 573014156 /nfs/dbraw/zinc/01/41/56/573014156.db2.gz ZAEMTJKLANJKHN-ZCFIWIBFSA-N -1 3 196.206 1.187 10 0 ADAEHM CCc1occc1[C@](C)(N)C(=O)[O-] 104575281 573023574 /nfs/dbraw/zinc/02/35/74/573023574.db2.gz HBRFIWXACMLGDV-VIFPVBQESA-N -1 3 183.207 1.101 10 0 ADAEHM CCc1cccc([C@@H](N)C(=O)[O-])c1 104575425 573027154 /nfs/dbraw/zinc/02/71/54/573027154.db2.gz KHSQPHBGRLWQRP-SECBINFHSA-N -1 3 179.219 1.333 10 0 ADAEHM CCCC[C@H]1OC(=O)[N-]C(=O)C1(C)C 238248216 573029909 /nfs/dbraw/zinc/02/99/09/573029909.db2.gz OUJPPEXSMWLQTN-SSDOTTSWSA-N -1 3 199.250 1.838 10 0 ADAEHM N[C@H](CC(=O)[O-])c1cnoc1C1CC1 107186489 573037843 /nfs/dbraw/zinc/03/78/43/573037843.db2.gz XGXDIJNWNHVWIL-SSDOTTSWSA-N -1 3 196.206 1.027 10 0 ADAEHM C[C@@H](OC(=O)c1cn[n-]c1)C1CC1 308249305 573051941 /nfs/dbraw/zinc/05/19/41/573051941.db2.gz GVJFVESQFRTUHO-ZCFIWIBFSA-N -1 3 180.207 1.365 10 0 ADAEHM O=C([O-])C1(Nc2ccncc2)CCC1 88048829 573051082 /nfs/dbraw/zinc/05/10/82/573051082.db2.gz XYNYHICVDBIHLE-UHFFFAOYSA-N -1 3 192.218 1.501 10 0 ADAEHM C[C@H](O)c1cc([O-])c(F)cc1O 257936670 573051470 /nfs/dbraw/zinc/05/14/70/573051470.db2.gz CJDXYJHONNUVGI-BYPYZUCNSA-N -1 3 172.155 1.290 10 0 ADAEHM C[C@@H](O)c1cc([O-])c(F)cc1O 257936673 573051499 /nfs/dbraw/zinc/05/14/99/573051499.db2.gz CJDXYJHONNUVGI-SCSAIBSYSA-N -1 3 172.155 1.290 10 0 ADAEHM CCO[C@@H]([O-])C(F)(F)Cl 238260382 573051626 /nfs/dbraw/zinc/05/16/26/573051626.db2.gz JXRDPUXAFJPBPU-GSVOUGTGSA-N -1 3 160.547 1.173 10 0 ADAEHM CCn1c(=O)c2ccc([O-])cc2n1C 257833786 573593945 /nfs/dbraw/zinc/59/39/45/573593945.db2.gz KELAOWBZMJFOEN-UHFFFAOYSA-N -1 3 192.218 1.066 10 0 ADAEHM CCc1ncc2c([O-])cccn12 258474743 573063354 /nfs/dbraw/zinc/06/33/54/573063354.db2.gz IQFYWNDCWRIPGS-UHFFFAOYSA-N -1 3 162.192 1.602 10 0 ADAEHM CCCc1c(OC)nc(=O)[n-]c1C 238268762 573072245 /nfs/dbraw/zinc/07/22/45/573072245.db2.gz NCYVWDDPBMXADG-UHFFFAOYSA-N -1 3 182.223 1.039 10 0 ADAEHM NC(=S)c1cc(F)ccc1[O-] 82522724 573088136 /nfs/dbraw/zinc/08/81/36/573088136.db2.gz SGQHEPCVYZUXRK-UHFFFAOYSA-N -1 3 171.196 1.166 10 0 ADAEHM CCOC(=O)c1cncc([O-])c1C 238275504 573088188 /nfs/dbraw/zinc/08/81/88/573088188.db2.gz XEIJDGAYPAIFKN-UHFFFAOYSA-N -1 3 181.191 1.272 10 0 ADAEHM CC[C@H](C)c1c(C)nc[n-]c1=O 238277958 573103005 /nfs/dbraw/zinc/10/30/05/573103005.db2.gz GYTOVEDHVUWPJG-LURJTMIESA-N -1 3 166.224 1.592 10 0 ADAEHM CC[C@@H]1[N-]c2nonc2N=C[C@H]1C 238278934 573103161 /nfs/dbraw/zinc/10/31/61/573103161.db2.gz JZQHOXFQMWDEKX-RITPCOANSA-N -1 3 180.211 1.612 10 0 ADAEHM COc1cc(C(C)=O)c([O-])cc1F 114750315 573120654 /nfs/dbraw/zinc/12/06/54/573120654.db2.gz WXHHIROFXUUURR-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM C[C@]1(F)CCN(CCCC(=O)[O-])C1 308274903 573122312 /nfs/dbraw/zinc/12/23/12/573122312.db2.gz UTCQFBPYPYYWLX-VIFPVBQESA-N -1 3 189.230 1.285 10 0 ADAEHM CC[C@@](C)(F)c1cc(=O)[n-]cn1 144084492 573128468 /nfs/dbraw/zinc/12/84/68/573128468.db2.gz BAQCFEIHRIZLKN-MRVPVSSYSA-N -1 3 170.187 1.365 10 0 ADAEHM Cc1ccnc([C@H](C)N)c1C(=O)[O-] 104662534 573137665 /nfs/dbraw/zinc/13/76/65/573137665.db2.gz QDZZHAWYMCKMON-LURJTMIESA-N -1 3 180.207 1.108 10 0 ADAEHM Cc1noc(-c2cncc([O-])c2)n1 82644372 573137911 /nfs/dbraw/zinc/13/79/11/573137911.db2.gz AFAUWIGUNRJQMD-UHFFFAOYSA-N -1 3 177.163 1.146 10 0 ADAEHM CC[C@H](N)c1ncccc1C(=O)[O-] 104666532 573150927 /nfs/dbraw/zinc/15/09/27/573150927.db2.gz SASSQPJHNPJMSX-ZETCQYMHSA-N -1 3 180.207 1.190 10 0 ADAEHM [O-]c1cc2c(c(F)c1F)OCCC2 115328923 573183043 /nfs/dbraw/zinc/18/30/43/573183043.db2.gz LKAROKSYQNXXBR-UHFFFAOYSA-N -1 3 186.157 1.995 10 0 ADAEHM CN(C)c1cc(O)cc([O-])c1F 238310076 573195865 /nfs/dbraw/zinc/19/58/65/573195865.db2.gz WJKGNCNZNFDSRX-UHFFFAOYSA-N -1 3 171.171 1.303 10 0 ADAEHM CN1CCC=C(CC(C)(C)C(=O)[O-])C1 257966713 573196059 /nfs/dbraw/zinc/19/60/59/573196059.db2.gz GDBNUNZENQJXIH-UHFFFAOYSA-N -1 3 197.278 1.749 10 0 ADAEHM CC1(n2c(=O)[n-][nH]c2=S)CCCC1 82785703 573196165 /nfs/dbraw/zinc/19/61/65/573196165.db2.gz KVTDCEQQEKQPMN-UHFFFAOYSA-N -1 3 199.279 1.523 10 0 ADAEHM CCn1nnnc1-c1ccccc1[O-] 238310422 573196217 /nfs/dbraw/zinc/19/62/17/573196217.db2.gz OBDQTZIKCGYAQM-UHFFFAOYSA-N -1 3 190.206 1.066 10 0 ADAEHM CC(=O)Cc1cc(C)cc([O-])c1F 257970952 573212531 /nfs/dbraw/zinc/21/25/31/573212531.db2.gz CSYXTQZITCMZFK-UHFFFAOYSA-N -1 3 182.194 1.971 10 0 ADAEHM CCc1cc([C@H](N)C(=O)[O-])ccc1F 257971033 573211976 /nfs/dbraw/zinc/21/19/76/573211976.db2.gz CVBWDHPBUVCPCR-VIFPVBQESA-N -1 3 197.209 1.473 10 0 ADAEHM COc1cc(F)c([O-])cc1CCO 257972817 573212394 /nfs/dbraw/zinc/21/23/94/573212394.db2.gz CZRZNGJGILUXLA-UHFFFAOYSA-N -1 3 186.182 1.075 10 0 ADAEHM CC(=O)Nc1c([O-])cccc1C=O 257974490 573217434 /nfs/dbraw/zinc/21/74/34/573217434.db2.gz IUPHLMRMRUCRQN-UHFFFAOYSA-N -1 3 179.175 1.163 10 0 ADAEHM CC1(COC(=O)c2cn[n-]c2)CC1 308318369 573223296 /nfs/dbraw/zinc/22/32/96/573223296.db2.gz XCAQKYNDKMIBFX-UHFFFAOYSA-N -1 3 180.207 1.367 10 0 ADAEHM C[C@H](NC/C(Cl)=C/Cl)C(=O)[O-] 86000602 573222884 /nfs/dbraw/zinc/22/28/84/573222884.db2.gz ATVQZWHKRMOSCK-RTDYNSIBSA-N -1 3 198.049 1.368 10 0 ADAEHM CCn1[n-]c(=O)c2cc(O)ccc21 257974618 573223123 /nfs/dbraw/zinc/22/31/23/573223123.db2.gz YZFCBJCXWMCBGP-UHFFFAOYSA-N -1 3 178.191 1.467 10 0 ADAEHM CN1C(=O)c2c([O-])cccc2C1(C)C 115953998 573236929 /nfs/dbraw/zinc/23/69/29/573236929.db2.gz DPUXSYZROZXILJ-UHFFFAOYSA-N -1 3 191.230 1.713 10 0 ADAEHM O=C([O-])c1cnccc1CNC1CC1 257976578 573236637 /nfs/dbraw/zinc/23/66/37/573236637.db2.gz WJAHGXAXQHKUNL-UHFFFAOYSA-N -1 3 192.218 1.032 10 0 ADAEHM Cc1noc([N-][C@@H](C)c2ncc[nH]2)n1 235552253 573236858 /nfs/dbraw/zinc/23/68/58/573236858.db2.gz AHVAIXUSTJYWDV-YFKPBYRVSA-N -1 3 193.210 1.274 10 0 ADAEHM C[C@H](CCC(=O)[O-])N1CC[C@H](F)C1 689936895 573244224 /nfs/dbraw/zinc/24/42/24/573244224.db2.gz WYECPQFIJAPYKX-SFYZADRCSA-N -1 3 189.230 1.284 10 0 ADAEHM C[C@@H](CCC(=O)[O-])N1CC[C@H](F)C1 689936897 573244259 /nfs/dbraw/zinc/24/42/59/573244259.db2.gz WYECPQFIJAPYKX-YUMQZZPRSA-N -1 3 189.230 1.284 10 0 ADAEHM Cc1cc(C(=O)[O-])cc(NC(C)C)n1 116139324 573250709 /nfs/dbraw/zinc/25/07/09/573250709.db2.gz PRLQONQTQIFBNE-UHFFFAOYSA-N -1 3 194.234 1.909 10 0 ADAEHM CCN(CC)C[C@@](C)(F)CC(=O)[O-] 257835966 573600522 /nfs/dbraw/zinc/60/05/22/573600522.db2.gz KRLOPIMKXYOSEK-VIFPVBQESA-N -1 3 191.246 1.531 10 0 ADAEHM CCN1CC=C([C@@H](C)C(=O)[O-])CC1 257983780 573250281 /nfs/dbraw/zinc/25/02/81/573250281.db2.gz HJEJUNNKQRAKCV-MRVPVSSYSA-N -1 3 183.251 1.359 10 0 ADAEHM CCc1c2cccc([O-])c2nn1C 257836234 573600666 /nfs/dbraw/zinc/60/06/66/573600666.db2.gz LABBFYLEAZGMRG-UHFFFAOYSA-N -1 3 176.219 1.841 10 0 ADAEHM CCc1[nH]nc2c([O-])cccc12 258488367 573258901 /nfs/dbraw/zinc/25/89/01/573258901.db2.gz JUBUHYZJMOVNJT-UHFFFAOYSA-N -1 3 162.192 1.831 10 0 ADAEHM CNCC(=O)c1cc(C)c([O-])cc1F 257991332 573277387 /nfs/dbraw/zinc/27/73/87/573277387.db2.gz FOJQFQZWIAZIOC-UHFFFAOYSA-N -1 3 197.209 1.242 10 0 ADAEHM O=C([O-])C[C@H]1NCCc2cscc21 74239696 573277531 /nfs/dbraw/zinc/27/75/31/573277531.db2.gz BYVCSKKUQJOIBH-MRVPVSSYSA-N -1 3 197.259 1.410 10 0 ADAEHM CN1C(=O)CCc2cc([O-])c(F)cc21 257989651 573277707 /nfs/dbraw/zinc/27/77/07/573277707.db2.gz XTIUGXFJZXFBJD-UHFFFAOYSA-N -1 3 195.193 1.440 10 0 ADAEHM C[C@H](c1ccc(F)cc1)N([O-])C(N)=O 74238533 573277858 /nfs/dbraw/zinc/27/78/58/573277858.db2.gz VFFCNLQFKWRMPK-ZCFIWIBFSA-N -1 3 198.197 1.657 10 0 ADAEHM Cc1ncc2c([O-])cccn12 258620406 573289858 /nfs/dbraw/zinc/28/98/58/573289858.db2.gz WRRKWFJYRAAESY-UHFFFAOYSA-N -1 3 148.165 1.348 10 0 ADAEHM C[C@@H](O)c1ccc([O-])cc1C=O 257994911 573289979 /nfs/dbraw/zinc/28/99/79/573289979.db2.gz LBMSJFSYNXGDNO-ZCFIWIBFSA-N -1 3 166.176 1.258 10 0 ADAEHM C=Cc1ncc(C)cc1[O-] 209759980 573312435 /nfs/dbraw/zinc/31/24/35/573312435.db2.gz QVTCVZAXAOSYEN-UHFFFAOYSA-N -1 3 135.166 1.739 10 0 ADAEHM C[C@@H](O)c1ccc([O-])c(F)c1O 258000902 573311790 /nfs/dbraw/zinc/31/17/90/573311790.db2.gz LVEYZZNRXFDWOT-SCSAIBSYSA-N -1 3 172.155 1.290 10 0 ADAEHM CNC(=O)c1ccc([O-])cc1SC 238341802 573322579 /nfs/dbraw/zinc/32/25/79/573322579.db2.gz DZLSQPSETDEAIW-UHFFFAOYSA-N -1 3 197.259 1.474 10 0 ADAEHM COc1cc(C(F)F)nc(F)c1[O-] 238352863 573322716 /nfs/dbraw/zinc/32/27/16/573322716.db2.gz KBVKZRLGYLVBMB-UHFFFAOYSA-N -1 3 193.124 1.873 10 0 ADAEHM [O-]c1cc([C@H]2CNCCO2)ccc1F 106874019 573322974 /nfs/dbraw/zinc/32/29/74/573322974.db2.gz XEIVZLMLWYGSCG-SNVBAGLBSA-N -1 3 197.209 1.192 10 0 ADAEHM [O-]c1cccc([C@@H]2CNCCO2)c1F 106874013 573323188 /nfs/dbraw/zinc/32/31/88/573323188.db2.gz IFESOUNSXZOSHM-VIFPVBQESA-N -1 3 197.209 1.192 10 0 ADAEHM [O-]c1cc([C@@H]2CNCCO2)ccc1F 106874016 573323203 /nfs/dbraw/zinc/32/32/03/573323203.db2.gz XEIVZLMLWYGSCG-JTQLQIEISA-N -1 3 197.209 1.192 10 0 ADAEHM c1coc(-c2nc3cncnc3[n-]2)c1 143501692 573333798 /nfs/dbraw/zinc/33/37/98/573333798.db2.gz OEOXWZBBXWAFRC-UHFFFAOYSA-N -1 3 186.174 1.613 10 0 ADAEHM CN1CCCC[C@](F)(CC(=O)[O-])C1 107133899 573368895 /nfs/dbraw/zinc/36/88/95/573368895.db2.gz BDVDWDXXTDJDRS-VIFPVBQESA-N -1 3 189.230 1.285 10 0 ADAEHM COc1cc(C)c(NC(C)=O)c([O-])c1 238369585 573368617 /nfs/dbraw/zinc/36/86/17/573368617.db2.gz CESOIZPELNQPOP-UHFFFAOYSA-N -1 3 195.218 1.668 10 0 ADAEHM Cc1c[nH]c(=O)c2cc([O-])ccc12 258320791 573369651 /nfs/dbraw/zinc/36/96/51/573369651.db2.gz UKHIANWIEVIIKN-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM CN1CCCC[C@@](F)(CC(=O)[O-])C1 107133903 573369656 /nfs/dbraw/zinc/36/96/56/573369656.db2.gz BDVDWDXXTDJDRS-SECBINFHSA-N -1 3 189.230 1.285 10 0 ADAEHM COc1ccc(NC(N)=S)c([O-])c1 238372919 573380838 /nfs/dbraw/zinc/38/08/38/573380838.db2.gz KUOVZDZBDUZAEX-UHFFFAOYSA-N -1 3 198.247 1.056 10 0 ADAEHM Cc1c([O-])c2ccccc2[nH]c1=O 205720866 573380861 /nfs/dbraw/zinc/38/08/61/573380861.db2.gz FWXMNRBUPWKVAX-ZCFIWIBFSA-N -1 3 175.187 1.458 10 0 ADAEHM COc1cc(F)c([O-])cc1[C@H](C)O 258011445 573382449 /nfs/dbraw/zinc/38/24/49/573382449.db2.gz HKNYPMFLBXCLQG-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM COCc1ccc(CNOC)cc1[O-] 258011460 573383784 /nfs/dbraw/zinc/38/37/84/573383784.db2.gz HKPUFYFMYPGSAV-UHFFFAOYSA-N -1 3 197.234 1.190 10 0 ADAEHM Cc1ccc(C2(O)CC2)c([O-])c1F 258011605 573390280 /nfs/dbraw/zinc/39/02/80/573390280.db2.gz HNNMWZWOXCULQH-UHFFFAOYSA-N -1 3 182.194 1.821 10 0 ADAEHM Nc1ncc(C2CCCCC2)c(=O)[n-]1 258642244 573392686 /nfs/dbraw/zinc/39/26/86/573392686.db2.gz WGICTWNUSPQMJG-UHFFFAOYSA-N -1 3 193.250 1.812 10 0 ADAEHM O=C1CCC(=O)c2c([O-])cccc2N1 257807165 573397628 /nfs/dbraw/zinc/39/76/28/573397628.db2.gz ZEEKQJGANQXMOO-UHFFFAOYSA-N -1 3 191.186 1.307 10 0 ADAEHM Cc1c(C(C)C)[n-]oc1=O 107218016 573410851 /nfs/dbraw/zinc/41/08/51/573410851.db2.gz QSJUUCQIHLRMDO-UHFFFAOYSA-N -1 3 141.170 1.812 10 0 ADAEHM CCc1[n-]oc(=O)c1C 107217286 573410863 /nfs/dbraw/zinc/41/08/63/573410863.db2.gz FJYSVYLMNVARLF-UHFFFAOYSA-N -1 3 127.143 1.251 10 0 ADAEHM CCc1cc(F)c([O-])c(CON)c1 258019011 573410946 /nfs/dbraw/zinc/41/09/46/573410946.db2.gz HYKWAKGVWDCGFD-UHFFFAOYSA-N -1 3 185.198 1.484 10 0 ADAEHM Cc1cc(CON)c(F)cc1[O-] 258026772 573429909 /nfs/dbraw/zinc/42/99/09/573429909.db2.gz ORPVQWQCBOUYIZ-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM CCC[C@@](C)(F)c1cc(=O)[n-]cn1 144237925 573441690 /nfs/dbraw/zinc/44/16/90/573441690.db2.gz GNTILNLLIWUWIG-SECBINFHSA-N -1 3 184.214 1.755 10 0 ADAEHM NOCc1csc2c([O-])cccc12 258022699 573441947 /nfs/dbraw/zinc/44/19/47/573441947.db2.gz DGSUJKOYARWCIT-UHFFFAOYSA-N -1 3 195.243 1.997 10 0 ADAEHM COc1cc(CN)c(OC)cc1[S-] 238403350 573458607 /nfs/dbraw/zinc/45/86/07/573458607.db2.gz VEPOTNWLMYURSC-UHFFFAOYSA-N -1 3 199.275 1.451 10 0 ADAEHM CSc1cc(=O)[n-]c(C(C)C)n1 238402884 573459971 /nfs/dbraw/zinc/45/99/71/573459971.db2.gz FVAVDZBKIKAVAO-UHFFFAOYSA-N -1 3 184.264 1.615 10 0 ADAEHM CCn1[n-]c(C(C)(C)C)c(CN)c1=O 258034015 573460172 /nfs/dbraw/zinc/46/01/72/573460172.db2.gz SMVVYSKEEAKYMC-UHFFFAOYSA-N -1 3 197.282 1.365 10 0 ADAEHM Cc1oc2cc(N(C)C)ccc2c1[O-] 142646894 573460205 /nfs/dbraw/zinc/46/02/05/573460205.db2.gz ZAFPJEBJIRGLJG-SSDOTTSWSA-N -1 3 191.230 1.716 10 0 ADAEHM O=C1C[C@H](C2CCCCCC2)O[N-]1 257814546 573460249 /nfs/dbraw/zinc/46/02/49/573460249.db2.gz CLHYGFVTNXRTMM-SECBINFHSA-N -1 3 183.251 1.777 10 0 ADAEHM CCCc1c([O-])cnn1CC 258497924 573460272 /nfs/dbraw/zinc/46/02/72/573460272.db2.gz KQLVKRANQXVBNF-UHFFFAOYSA-N -1 3 154.213 1.561 10 0 ADAEHM C[C@@H]1C(=O)C=C([O-])C1(C)C 211790964 573460803 /nfs/dbraw/zinc/46/08/03/573460803.db2.gz JUVLXGXZVMCSSU-RXMQYKEDSA-N -1 3 140.182 1.191 10 0 ADAEHM C[C@@H](F)CN1CCC(C(=O)[O-])CC1 107272935 573460842 /nfs/dbraw/zinc/46/08/42/573460842.db2.gz JEBYHEAMUXXJMU-SSDOTTSWSA-N -1 3 189.230 1.141 10 0 ADAEHM CCNc1ncc(C(=O)[O-])n1CC 258032037 573460998 /nfs/dbraw/zinc/46/09/98/573460998.db2.gz DRWDJYDQMDQUEB-UHFFFAOYSA-N -1 3 183.211 1.033 10 0 ADAEHM CCn1[n-]c(=O)c2cc(C)ccc21 257814932 573461258 /nfs/dbraw/zinc/46/12/58/573461258.db2.gz COQOPRACAZQXLW-UHFFFAOYSA-N -1 3 176.219 1.658 10 0 ADAEHM CCc1ncc2cc([O-])ccn12 258383422 573461474 /nfs/dbraw/zinc/46/14/74/573461474.db2.gz TYMZROWPGFNHHV-UHFFFAOYSA-N -1 3 162.192 1.602 10 0 ADAEHM CC(C)(C)c1nc2ncc([O-])cn2n1 258358318 573467315 /nfs/dbraw/zinc/46/73/15/573467315.db2.gz RLHDHIGJSDNLAD-UHFFFAOYSA-N -1 3 192.222 1.127 10 0 ADAEHM C[C@H]1COc2cccc([O-])c2NC1=O 258390842 573467452 /nfs/dbraw/zinc/46/74/52/573467452.db2.gz BEDMQIVDGMRYHW-LURJTMIESA-N -1 3 193.202 1.359 10 0 ADAEHM Cc1cc([O-])ccc1C(N)=S 83339886 573472426 /nfs/dbraw/zinc/47/24/26/573472426.db2.gz LZKVCSBRQNWMSQ-UHFFFAOYSA-N -1 3 167.233 1.335 10 0 ADAEHM CO[C@](C)(C(C)=O)c1ccccc1[O-] 238410134 573472464 /nfs/dbraw/zinc/47/24/64/573472464.db2.gz GWAGFCLMWUONOO-LLVKDONJSA-N -1 3 194.230 1.843 10 0 ADAEHM COc1cc([S-])cc(OC)c1CN 238410061 573472602 /nfs/dbraw/zinc/47/26/02/573472602.db2.gz PPPVAACZXXOUBP-UHFFFAOYSA-N -1 3 199.275 1.451 10 0 ADAEHM Cc1ncc(C2CCOCC2)c(=O)[n-]1 258674817 573480673 /nfs/dbraw/zinc/48/06/73/573480673.db2.gz YDWDYPAYKCJQPK-UHFFFAOYSA-N -1 3 194.234 1.385 10 0 ADAEHM NC1(C(F)(F)c2ccccc2[O-])CC1 257818582 573481190 /nfs/dbraw/zinc/48/11/90/573481190.db2.gz CSFJQAIYUIKSNF-UHFFFAOYSA-N -1 3 199.200 1.975 10 0 ADAEHM CC(C)(F)[C@](N)(C(=O)[O-])C1CCC1 257818944 573484331 /nfs/dbraw/zinc/48/43/31/573484331.db2.gz FGROWVDVGVUIGV-SECBINFHSA-N -1 3 189.230 1.317 10 0 ADAEHM [O-]c1ccc2[nH][nH]c(C3CC3)c1-2 107296862 573484354 /nfs/dbraw/zinc/48/43/54/573484354.db2.gz GVUYOUDEGWYVFD-UHFFFAOYSA-N -1 3 162.192 1.416 10 0 ADAEHM Cc1ccc([C@@H](N)C[C@@H](C)C(=O)[O-])o1 259108186 573496131 /nfs/dbraw/zinc/49/61/31/573496131.db2.gz BIXZZAXOVNRONN-SVRRBLITSA-N -1 3 197.234 1.699 10 0 ADAEHM Nc1cc(-c2cc(O)ccc2[O-])on1 258042569 573495417 /nfs/dbraw/zinc/49/54/17/573495417.db2.gz KACPNXJOADPOTC-UHFFFAOYSA-N -1 3 192.174 1.335 10 0 ADAEHM [O-]c1cccn2cc(C3CC3)nc12 258041200 573495840 /nfs/dbraw/zinc/49/58/40/573495840.db2.gz SIVFQAGPTVKNSQ-UHFFFAOYSA-N -1 3 174.203 1.917 10 0 ADAEHM C[C@@H](CC(=O)[O-])[C@H](N)c1ccccn1 259481096 573503078 /nfs/dbraw/zinc/50/30/78/573503078.db2.gz SJJACXCGNZJMFL-XVKPBYJWSA-N -1 3 194.234 1.192 10 0 ADAEHM O=C([O-])C1CC(NCc2ccco2)C1 259108902 573505572 /nfs/dbraw/zinc/50/55/72/573505572.db2.gz BCGMGJOBIMMKAI-UHFFFAOYSA-N -1 3 195.218 1.232 10 0 ADAEHM C[C@H]1C[C@@H](C(=O)[O-])CCN1CCF 235610401 573505617 /nfs/dbraw/zinc/50/56/17/573505617.db2.gz PDMWMPIANCZJRK-YUMQZZPRSA-N -1 3 189.230 1.141 10 0 ADAEHM COc1[n-]cc(O)c(=O)c1C(F)F 238419727 573505130 /nfs/dbraw/zinc/50/51/30/573505130.db2.gz NHERYUBHVWOISV-UHFFFAOYSA-N -1 3 191.133 1.439 10 0 ADAEHM C[C@H](CC(=O)[O-])[C@@H](N)c1ccccn1 259481090 573505434 /nfs/dbraw/zinc/50/54/34/573505434.db2.gz SJJACXCGNZJMFL-GMSGAONNSA-N -1 3 194.234 1.192 10 0 ADAEHM C[C@H]1C=C([C@H](N)C(=O)[O-])CC(C)(C)C1 238419099 573505444 /nfs/dbraw/zinc/50/54/44/573505444.db2.gz MDPOPCULSBFZGT-CBAPKCEASA-N -1 3 197.278 1.781 10 0 ADAEHM Cc1cc(C[C@@H](C)O)cc([O-])c1F 258050359 573506889 /nfs/dbraw/zinc/50/68/89/573506889.db2.gz KNROXPUUCLYESG-SSDOTTSWSA-N -1 3 184.210 1.763 10 0 ADAEHM COc1ncc([O-])cc1C(F)F 238419885 573506986 /nfs/dbraw/zinc/50/69/86/573506986.db2.gz UWAWZMLPFGIXRR-UHFFFAOYSA-N -1 3 175.134 1.733 10 0 ADAEHM N[C@@H](C(=O)[O-])[C@H](F)C1CCCCC1 257821861 573514317 /nfs/dbraw/zinc/51/43/17/573514317.db2.gz GBBSXOGXVFISQZ-HTQZYQBOSA-N -1 3 189.230 1.317 10 0 ADAEHM CC[C@@H]1OC(=O)C(C)=C([O-])[C@H]1C 198226317 573514506 /nfs/dbraw/zinc/51/45/06/573514506.db2.gz WENGDWLJTQGDNF-ACZMJKKPSA-N -1 3 170.208 1.163 10 0 ADAEHM C[C@@H]1O[C@H]1C(=O)Nc1ccccc1[O-] 238422929 573514886 /nfs/dbraw/zinc/51/48/86/573514886.db2.gz DKRNNYZXQFNOMG-IMTBSYHQSA-N -1 3 193.202 1.118 10 0 ADAEHM [O-]c1cccn2c(C3CC3)cnc12 257823351 573522153 /nfs/dbraw/zinc/52/21/53/573522153.db2.gz GKPVOODLGBVRNQ-UHFFFAOYSA-N -1 3 174.203 1.917 10 0 ADAEHM COc1c(C=O)ccc(Cl)c1[O-] 257823408 573521567 /nfs/dbraw/zinc/52/15/67/573521567.db2.gz GMSPNAHYVOKWPG-UHFFFAOYSA-N -1 3 186.594 1.867 10 0 ADAEHM COCc1cccc(C=O)c1[O-] 107329367 573522292 /nfs/dbraw/zinc/52/22/92/573522292.db2.gz QUVWJQMJQUMEJH-UHFFFAOYSA-N -1 3 166.176 1.351 10 0 ADAEHM CNc1cnc(C(C)C)[n-]c1=O 107330357 573522718 /nfs/dbraw/zinc/52/27/18/573522718.db2.gz OCWYVOGOYWBXEK-UHFFFAOYSA-N -1 3 167.212 1.347 10 0 ADAEHM COCc1ccc([O-])c(C=O)c1 107329374 573523679 /nfs/dbraw/zinc/52/36/79/573523679.db2.gz CIBJEKDGTXOIOY-UHFFFAOYSA-N -1 3 166.176 1.351 10 0 ADAEHM COCc1cccc([O-])c1C=O 107329368 573523932 /nfs/dbraw/zinc/52/39/32/573523932.db2.gz HRNKQTXIPFIIQX-UHFFFAOYSA-N -1 3 166.176 1.351 10 0 ADAEHM Cc1cc(C)c2[nH]c(=O)n([O-])c2c1 95579998 573542697 /nfs/dbraw/zinc/54/26/97/573542697.db2.gz VEOOGZZBQWNLSL-UHFFFAOYSA-N -1 3 178.191 1.184 10 0 ADAEHM COc1c([O-])cc([C@@H](C)O)cc1F 258056317 573541929 /nfs/dbraw/zinc/54/19/29/573541929.db2.gz LBMIBTJDAWMAMM-RXMQYKEDSA-N -1 3 186.182 1.593 10 0 ADAEHM C[C@H](O)c1c[n-]c2ccccc2c1=O 95534990 573541953 /nfs/dbraw/zinc/54/19/53/573541953.db2.gz ZETLOWDTYJKRTL-ZETCQYMHSA-N -1 3 189.214 1.581 10 0 ADAEHM COc1c([O-])cc(=O)c2ccc[nH]c1-2 238434878 573542572 /nfs/dbraw/zinc/54/25/72/573542572.db2.gz QLAHUKXFPVQWLO-UHFFFAOYSA-N -1 3 191.186 1.655 10 0 ADAEHM COc1c2[nH]cccc-2c([O-])cc1=O 238434878 573542580 /nfs/dbraw/zinc/54/25/80/573542580.db2.gz QLAHUKXFPVQWLO-UHFFFAOYSA-N -1 3 191.186 1.655 10 0 ADAEHM O=C1c2ccc([O-])cc2CN1C1CC1 198273526 573544434 /nfs/dbraw/zinc/54/44/34/573544434.db2.gz AXZIWSNYOQSIIC-UHFFFAOYSA-N -1 3 189.214 1.510 10 0 ADAEHM [O-]c1ccc(C2(CO)CC2)c(F)c1 257824940 573544625 /nfs/dbraw/zinc/54/46/25/573544625.db2.gz GKFPABPBJWUSTE-UHFFFAOYSA-N -1 3 182.194 1.555 10 0 ADAEHM [O-]c1cccc2nocc12 257830016 573555929 /nfs/dbraw/zinc/55/59/29/573555929.db2.gz JBJHLOVEZCGEDG-UHFFFAOYSA-N -1 3 135.122 1.533 10 0 ADAEHM CC(=O)c1[n-]nnc1C(F)(F)F 75395323 573556047 /nfs/dbraw/zinc/55/60/47/573556047.db2.gz ORYFXTKSHZNCTF-UHFFFAOYSA-N -1 3 179.101 1.026 10 0 ADAEHM CC(=O)c1nn[n-]c1C(F)(F)F 75395323 573556049 /nfs/dbraw/zinc/55/60/49/573556049.db2.gz ORYFXTKSHZNCTF-UHFFFAOYSA-N -1 3 179.101 1.026 10 0 ADAEHM CC(=O)c1n[n-]nc1C(F)(F)F 75395323 573556051 /nfs/dbraw/zinc/55/60/51/573556051.db2.gz ORYFXTKSHZNCTF-UHFFFAOYSA-N -1 3 179.101 1.026 10 0 ADAEHM CC1(C)CN([C@@H]2C=C[C@H](C(=O)[O-])C2)C1 86687088 573574931 /nfs/dbraw/zinc/57/49/31/573574931.db2.gz UNNIQFSVNPJGPJ-DTWKUNHWSA-N -1 3 195.262 1.358 10 0 ADAEHM O=C([O-])[C@H]1C=C[C@H](N2CC3(CC3)C2)C1 86687217 573575178 /nfs/dbraw/zinc/57/51/78/573575178.db2.gz LTHYYDWBZATUHC-IUCAKERBSA-N -1 3 193.246 1.112 10 0 ADAEHM CCCc1ccc([C@@H](N)CC(=O)[O-])o1 308405621 573593266 /nfs/dbraw/zinc/59/32/66/573593266.db2.gz NOMSPLWKKVFPPI-QMMMGPOBSA-N -1 3 197.234 1.707 10 0 ADAEHM C[C@](N)(c1cccs1)[P@@H](=O)[O-] 238457421 573597249 /nfs/dbraw/zinc/59/72/49/573597249.db2.gz ZWGDRGSBNMKFJX-ZCFIWIBFSA-N -1 3 191.192 1.347 10 0 ADAEHM C[C@](N)(c1cccs1)[P@H](=O)[O-] 238457421 573597257 /nfs/dbraw/zinc/59/72/57/573597257.db2.gz ZWGDRGSBNMKFJX-ZCFIWIBFSA-N -1 3 191.192 1.347 10 0 ADAEHM N[C@H]1CCn2c1nc1c([O-])cccc12 259523418 573599781 /nfs/dbraw/zinc/59/97/81/573599781.db2.gz ALUIVFLPKRYHRI-LURJTMIESA-N -1 3 189.218 1.145 10 0 ADAEHM C[C@]1(c2nnc(C=O)[n-]2)CCCCO1 257837487 573611091 /nfs/dbraw/zinc/61/10/91/573611091.db2.gz ARULEKYPRMMDOS-SECBINFHSA-N -1 3 195.222 1.033 10 0 ADAEHM C[C@]1(c2n[n-]c(C=O)n2)CCCCO1 257837487 573611096 /nfs/dbraw/zinc/61/10/96/573611096.db2.gz ARULEKYPRMMDOS-SECBINFHSA-N -1 3 195.222 1.033 10 0 ADAEHM O=C([O-])c1scnc1[C@H]1CCCN1 257836120 573599644 /nfs/dbraw/zinc/59/96/44/573599644.db2.gz ALYJTZUJAGIOJD-RXMQYKEDSA-N -1 3 198.247 1.266 10 0 ADAEHM COc1c([O-])cc2c(c1O)C(=O)CC2 238449830 573613073 /nfs/dbraw/zinc/61/30/73/573613073.db2.gz KKCDDQFBFCVFEH-UHFFFAOYSA-N -1 3 194.186 1.235 10 0 ADAEHM CC[C@H](C)O[N-]C(=O)CCCOC 308407262 573613147 /nfs/dbraw/zinc/61/31/47/573613147.db2.gz KBDXMRHEFCBAPV-QMMMGPOBSA-N -1 3 189.255 1.259 10 0 ADAEHM CC[C@H](Nc1nccn1CC)C(=O)[O-] 50607624 573613257 /nfs/dbraw/zinc/61/32/57/573613257.db2.gz SHWRTGOQSBCFST-ZETCQYMHSA-N -1 3 197.238 1.178 10 0 ADAEHM CCCN(/C=C/C(=O)[O-])[C@@H]1CCOC1 308643520 573616180 /nfs/dbraw/zinc/61/61/80/573616180.db2.gz FOECLIRIYBIKJE-BSPAPZMXSA-N -1 3 199.250 1.086 10 0 ADAEHM O=c1cc(OC2CCCCC2)nc[n-]1 236411892 573617290 /nfs/dbraw/zinc/61/72/90/573617290.db2.gz OZVQBSFRZWDLLS-UHFFFAOYSA-N -1 3 194.234 1.481 10 0 ADAEHM C[C@@H]1CCCC[C@H]1N1CC(=O)[N-]C1=O 86785166 573617343 /nfs/dbraw/zinc/61/73/43/573617343.db2.gz UJEHUDFCZPLSBT-HTQZYQBOSA-N -1 3 196.250 1.117 10 0 ADAEHM COc1c(O)cc2occ([O-])c2c1O 238450094 573616670 /nfs/dbraw/zinc/61/66/70/573616670.db2.gz BSRPSMQTYCJWCL-UHFFFAOYSA-N -1 3 196.158 1.558 10 0 ADAEHM Nc1c([O-])ccc2ccoc12 107455124 573617078 /nfs/dbraw/zinc/61/70/78/573617078.db2.gz ITIBJKMLHSCYED-UHFFFAOYSA-N -1 3 149.149 1.721 10 0 ADAEHM C[C@H]1CCCC[C@H]1N1CC(=O)[N-]C1=O 86785169 573621545 /nfs/dbraw/zinc/62/15/45/573621545.db2.gz UJEHUDFCZPLSBT-JGVFFNPUSA-N -1 3 196.250 1.117 10 0 ADAEHM CCn1cc([S-])ccc1=O 224429168 573621580 /nfs/dbraw/zinc/62/15/80/573621580.db2.gz PGZKTZYHAQUDNK-UHFFFAOYSA-N -1 3 155.222 1.157 10 0 ADAEHM Cc1cc([C@H](C)O)c(F)cc1[O-] 258070507 573621827 /nfs/dbraw/zinc/62/18/27/573621827.db2.gz UMWYPIHBYOINQS-LURJTMIESA-N -1 3 170.183 1.893 10 0 ADAEHM C[C@@H]1CCC[C@H](N2CC(=O)[N-]C2=O)C1 86785456 573621918 /nfs/dbraw/zinc/62/19/18/573621918.db2.gz ZZJHEKQAMOLHBB-SFYZADRCSA-N -1 3 196.250 1.117 10 0 ADAEHM Cc1cc(=O)oc2ccc(N)c([O-])c12 238452872 573622162 /nfs/dbraw/zinc/62/21/62/573622162.db2.gz IPKZNZHKZNKYOD-UHFFFAOYSA-N -1 3 191.186 1.389 10 0 ADAEHM COC(=O)C(F)=C([O-])C1CCCC1 257837937 573625215 /nfs/dbraw/zinc/62/52/15/573625215.db2.gz LEKKZJVKHNFTFV-ZETCQYMHSA-N -1 3 188.198 1.257 10 0 ADAEHM Cc1ccc2c(c1)[C@](N)(C(=O)[O-])CC2 96554500 573625493 /nfs/dbraw/zinc/62/54/93/573625493.db2.gz PDBWMLDVQCZGTQ-NSHDSACASA-N -1 3 191.230 1.180 10 0 ADAEHM CC[C@](C)(Nc1ccncc1)C(=O)[O-] 86797228 573627089 /nfs/dbraw/zinc/62/70/89/573627089.db2.gz VLLZHVODOBFULE-JTQLQIEISA-N -1 3 194.234 1.747 10 0 ADAEHM C[C@H]1CC[C@H](c2nccc(=O)[n-]2)C1 83782763 573627109 /nfs/dbraw/zinc/62/71/09/573627109.db2.gz JCZAFFHLELEAKM-YUMQZZPRSA-N -1 3 178.235 1.674 10 0 ADAEHM Cn1ccnc1-c1ccc([O-])c(F)c1 96551233 573627160 /nfs/dbraw/zinc/62/71/60/573627160.db2.gz FXQQVVYYGGAMRI-UHFFFAOYSA-N -1 3 192.193 1.932 10 0 ADAEHM O=C([O-])[C@@H]1CCCN[C@H]1c1ccco1 107463561 573627171 /nfs/dbraw/zinc/62/71/71/573627171.db2.gz CPZQWCIDMPBSNB-VXNVDRBHSA-N -1 3 195.218 1.405 10 0 ADAEHM NOCC(F)(F)c1ccccc1[O-] 259533398 573627348 /nfs/dbraw/zinc/62/73/48/573627348.db2.gz BHHNHIAJWLGIIU-UHFFFAOYSA-N -1 3 189.161 1.374 10 0 ADAEHM [O-]c1cnccc1-c1ccncc1O 75578295 573627378 /nfs/dbraw/zinc/62/73/78/573627378.db2.gz JDWBRJSCWMWGPP-UHFFFAOYSA-N -1 3 188.186 1.555 10 0 ADAEHM O=C([O-])[C@H]1CC[C@H](c2ccco2)NC1 107463548 573627572 /nfs/dbraw/zinc/62/75/72/573627572.db2.gz XGGJHPWNMLZJDU-JGVFFNPUSA-N -1 3 195.218 1.405 10 0 ADAEHM Cc1cc2ccc([O-])cc2c(=O)n1C 75579038 573627743 /nfs/dbraw/zinc/62/77/43/573627743.db2.gz KLTPNFHYGGRJAA-UHFFFAOYSA-N -1 3 189.214 1.553 10 0 ADAEHM C[C@@H]1CC[C@@H](c2nc(N)cc(=O)[n-]2)C1 83781630 573628118 /nfs/dbraw/zinc/62/81/18/573628118.db2.gz VDZFJBGKAJUPRM-RNFRBKRXSA-N -1 3 193.250 1.256 10 0 ADAEHM C[C@@H]1CC[C@H](c2nc([O-])cc(=O)[nH]2)C1 83783019 573628280 /nfs/dbraw/zinc/62/82/80/573628280.db2.gz CUBFYQRQSDZHSF-RQJHMYQMSA-N -1 3 194.234 1.379 10 0 ADAEHM Cc1cc(=O)[n-]c([C@H]2CC[C@H](C)C2)n1 83782612 573628400 /nfs/dbraw/zinc/62/84/00/573628400.db2.gz MWUUTKKNAPIGJT-CBAPKCEASA-N -1 3 192.262 1.982 10 0 ADAEHM C[C@H](O)c1nc2c(Cl)ncnc2[n-]1 238453299 573628448 /nfs/dbraw/zinc/62/84/48/573628448.db2.gz RUOLKPBFJYJBSX-VKHMYHEASA-N -1 3 198.613 1.060 10 0 ADAEHM O=Cc1cc(Cl)cc(CO)c1[O-] 75577418 573628484 /nfs/dbraw/zinc/62/84/84/573628484.db2.gz XATBFYXMBIMGFN-UHFFFAOYSA-N -1 3 186.594 1.350 10 0 ADAEHM Cc1cc(=O)[n-]c([C@@H]2CC[C@H](C)C2)n1 83782611 573628632 /nfs/dbraw/zinc/62/86/32/573628632.db2.gz MWUUTKKNAPIGJT-IONNQARKSA-N -1 3 192.262 1.982 10 0 ADAEHM C[C@@H]1CC[C@H](c2nccc(=O)[n-]2)C1 83782762 573629882 /nfs/dbraw/zinc/62/98/82/573629882.db2.gz JCZAFFHLELEAKM-SFYZADRCSA-N -1 3 178.235 1.674 10 0 ADAEHM Cc1ccc2c(c1)[C@@](N)(C(=O)[O-])CC2 96554503 573629895 /nfs/dbraw/zinc/62/98/95/573629895.db2.gz PDBWMLDVQCZGTQ-LLVKDONJSA-N -1 3 191.230 1.180 10 0 ADAEHM O=C([O-])[C@H]1CCCN[C@H]1c1ccco1 107463563 573630028 /nfs/dbraw/zinc/63/00/28/573630028.db2.gz CPZQWCIDMPBSNB-IONNQARKSA-N -1 3 195.218 1.405 10 0 ADAEHM C[C@H]1CC[C@@H](c2nccc(=O)[n-]2)C1 83782768 573630184 /nfs/dbraw/zinc/63/01/84/573630184.db2.gz JCZAFFHLELEAKM-JGVFFNPUSA-N -1 3 178.235 1.674 10 0 ADAEHM C[C@H]1CC[C@@H](c2nc(N)cc(=O)[n-]2)C1 83781631 573630284 /nfs/dbraw/zinc/63/02/84/573630284.db2.gz VDZFJBGKAJUPRM-NKWVEPMBSA-N -1 3 193.250 1.256 10 0 ADAEHM CCc1cc2ccc([O-])cc2c(=O)[nH]1 75579037 573630354 /nfs/dbraw/zinc/63/03/54/573630354.db2.gz AXJYMNHUZDLVKA-UHFFFAOYSA-N -1 3 189.214 1.796 10 0 ADAEHM Cc1cc(C=N)c([O-])c(C=O)c1 238460056 573630449 /nfs/dbraw/zinc/63/04/49/573630449.db2.gz YSLAZHYPMWGBNN-UHFFFAOYSA-N -1 3 163.176 1.511 10 0 ADAEHM O=Cc1cnoc1-c1ccccc1[O-] 75578958 573631400 /nfs/dbraw/zinc/63/14/00/573631400.db2.gz KTYDKFQMBXXEPE-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM C[C@@H]1C=C([C@@H](N)C(=O)[O-])CC(C)(C)C1 238460530 573634689 /nfs/dbraw/zinc/63/46/89/573634689.db2.gz MDPOPCULSBFZGT-VXNVDRBHSA-N -1 3 197.278 1.781 10 0 ADAEHM C[C@H]1Cc2c([O-])cc(O)cc2C(=O)O1 75581563 573634753 /nfs/dbraw/zinc/63/47/53/573634753.db2.gz OINLIMYCKRUGEC-YFKPBYRVSA-N -1 3 194.186 1.199 10 0 ADAEHM C[C@@H]1CCc2c(ccc(C=O)c2[O-])O1 75580549 573636545 /nfs/dbraw/zinc/63/65/45/573636545.db2.gz FVNLZUXVAPFKBF-SSDOTTSWSA-N -1 3 192.214 1.918 10 0 ADAEHM O=C(OCC1CCC1)c1cn[n-]c1 308409722 573636569 /nfs/dbraw/zinc/63/65/69/573636569.db2.gz NVQFNRXPKVTUJZ-UHFFFAOYSA-N -1 3 180.207 1.367 10 0 ADAEHM [O-]c1c(F)cc(CNC2CC2)cc1F 86831005 573637390 /nfs/dbraw/zinc/63/73/90/573637390.db2.gz PKLNRGGETMUDSY-UHFFFAOYSA-N -1 3 199.200 1.922 10 0 ADAEHM Cc1oc(C(=O)[O-])c2c1[C@H](N)CC2 75589373 573637512 /nfs/dbraw/zinc/63/75/12/573637512.db2.gz LAHJJJJKPHUSGM-ZCFIWIBFSA-N -1 3 181.191 1.232 10 0 ADAEHM CN(C)C[C@]1(F)CC[C@@H](C(=O)[O-])C1 257844982 573637702 /nfs/dbraw/zinc/63/77/02/573637702.db2.gz NJNVVBFMQFPOMJ-APPZFPTMSA-N -1 3 189.230 1.141 10 0 ADAEHM Cc1oc(C(=O)[O-])c2c1[C@@H](N)CC2 75589371 573640385 /nfs/dbraw/zinc/64/03/85/573640385.db2.gz LAHJJJJKPHUSGM-LURJTMIESA-N -1 3 181.191 1.232 10 0 ADAEHM C[C@@H]1C[C@@H]1c1nc(C2CC2)cc(=O)[n-]1 83806101 573643559 /nfs/dbraw/zinc/64/35/59/573643559.db2.gz PXGJASSTPXUXMA-SVRRBLITSA-N -1 3 190.246 1.771 10 0 ADAEHM Cc1nc([C@@H]2C[C@@H]2C)[n-]c(=O)c1C 83806049 573643659 /nfs/dbraw/zinc/64/36/59/573643659.db2.gz JSUUKVUZFRQCJA-YLWLKBPMSA-N -1 3 178.235 1.510 10 0 ADAEHM CCCc1cc(=O)[n-]c([C@@H]2C[C@H]2C)n1 83806015 573643183 /nfs/dbraw/zinc/64/31/83/573643183.db2.gz VACPTKCPOHIYEQ-VXNVDRBHSA-N -1 3 192.262 1.846 10 0 ADAEHM C[C@H](NCc1ccoc1)[C@H](C)C(=O)[O-] 130662968 573643314 /nfs/dbraw/zinc/64/33/14/573643314.db2.gz OLXYOLRJYOQNCI-YUMQZZPRSA-N -1 3 197.234 1.478 10 0 ADAEHM C[C@@H](NCc1ccoc1)[C@@H](C)C(=O)[O-] 130662787 573643470 /nfs/dbraw/zinc/64/34/70/573643470.db2.gz OLXYOLRJYOQNCI-HTQZYQBOSA-N -1 3 197.234 1.478 10 0 ADAEHM Cc1cc([O-])c(C(F)F)nc1CN 238466846 573652031 /nfs/dbraw/zinc/65/20/31/573652031.db2.gz DNIMWOWREQADDK-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM C[C@@H](c1cc(C=O)ccc1[O-])N(C)C 257841751 573652975 /nfs/dbraw/zinc/65/29/75/573652975.db2.gz MKWQWSFCPJUQSX-QMMMGPOBSA-N -1 3 193.246 1.827 10 0 ADAEHM C[C@H](c1cc(C=O)ccc1[O-])N(C)C 257841749 573653054 /nfs/dbraw/zinc/65/30/54/573653054.db2.gz MKWQWSFCPJUQSX-MRVPVSSYSA-N -1 3 193.246 1.827 10 0 ADAEHM NOCc1cc([O-])c(F)cc1F 258080559 573653077 /nfs/dbraw/zinc/65/30/77/573653077.db2.gz VRLKIPBXTAGFOF-UHFFFAOYSA-N -1 3 175.134 1.061 10 0 ADAEHM Cc1ccc([O-])c2c1C(=O)OC2 238458747 573653416 /nfs/dbraw/zinc/65/34/16/573653416.db2.gz BOPPXKUTDNZNFE-UHFFFAOYSA-N -1 3 164.160 1.371 10 0 ADAEHM Cc1cc(=O)c(O)c(C(F)F)[n-]1 238471182 573654814 /nfs/dbraw/zinc/65/48/14/573654814.db2.gz XMJBMTXJHUOLSL-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM Cc1c(CO)ncc([O-])c1C(F)F 238458668 573654854 /nfs/dbraw/zinc/65/48/54/573654854.db2.gz DTBYVCDKSHQWOW-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM Cc1ccc(CON)c([O-])c1F 258082358 573655068 /nfs/dbraw/zinc/65/50/68/573655068.db2.gz VTONCVRMMXKFJO-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM CN[C@H](c1ccccn1)[C@H](C)C(=O)[O-] 259542896 573655322 /nfs/dbraw/zinc/65/53/22/573655322.db2.gz VJSOKTMKJOUZQG-CBAPKCEASA-N -1 3 194.234 1.063 10 0 ADAEHM Cc1cc(CN(C)C)ccc1C(=O)[O-] 258082187 573658880 /nfs/dbraw/zinc/65/88/80/573658880.db2.gz ILZKPTACJNTWNP-UHFFFAOYSA-N -1 3 193.246 1.755 10 0 ADAEHM Cn1[nH]c(=O)cc1-c1ccccc1[O-] 257843332 573658126 /nfs/dbraw/zinc/65/81/26/573658126.db2.gz MXLLNLGUZAREDD-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM CN1CCCC[C@@H]1/C=C\CC(=O)[O-] 258081104 573658742 /nfs/dbraw/zinc/65/87/42/573658742.db2.gz FXOYFAGIHRMSFF-XTULLQBASA-N -1 3 183.251 1.502 10 0 ADAEHM CCCc1nc2ccc([O-])cn2n1 258082697 573659021 /nfs/dbraw/zinc/65/90/21/573659021.db2.gz WUGFHMHLXDESPQ-UHFFFAOYSA-N -1 3 177.207 1.387 10 0 ADAEHM C[C@H]1NCCc2ccc([O-])c(F)c21 75642832 573659025 /nfs/dbraw/zinc/65/90/25/573659025.db2.gz UFMRGLZMMHGROP-ZCFIWIBFSA-N -1 3 181.210 1.738 10 0 ADAEHM O=c1nncc(-c2ccccc2F)[n-]1 257842785 573659064 /nfs/dbraw/zinc/65/90/64/573659064.db2.gz MSCYKFZIVOYGBN-UHFFFAOYSA-N -1 3 191.165 1.383 10 0 ADAEHM O=Cc1cc([O-])ccc1C1(O)CC1 258084517 573663057 /nfs/dbraw/zinc/66/30/57/573663057.db2.gz WCNWBNIFUVKRRI-UHFFFAOYSA-N -1 3 178.187 1.186 10 0 ADAEHM Cc1cc(N)c2occ([O-])c2c1 238472441 573663087 /nfs/dbraw/zinc/66/30/87/573663087.db2.gz ZGCXCOOUUOVWIY-UHFFFAOYSA-N -1 3 163.176 1.152 10 0 ADAEHM CN1CC[C@@H](CC(F)(F)C(=O)[O-])C1 257844405 573665119 /nfs/dbraw/zinc/66/51/19/573665119.db2.gz NDAADKFRBFYCHN-LURJTMIESA-N -1 3 193.193 1.048 10 0 ADAEHM CN1CC[C@H](CC(F)(F)C(=O)[O-])C1 257844406 573665412 /nfs/dbraw/zinc/66/54/12/573665412.db2.gz NDAADKFRBFYCHN-ZCFIWIBFSA-N -1 3 193.193 1.048 10 0 ADAEHM CC1(C)CCc2c1[nH]c(=S)[n-]c2=O 86869156 573667540 /nfs/dbraw/zinc/66/75/40/573667540.db2.gz WNDBBAZZAXVRLI-UHFFFAOYSA-N -1 3 196.275 1.656 10 0 ADAEHM Cc1ccccc1[C@@H](F)[C@@H](N)C(=O)[O-] 257846590 573667705 /nfs/dbraw/zinc/66/77/05/573667705.db2.gz NTQKVRRXLNPKLB-RKDXNWHRSA-N -1 3 197.209 1.418 10 0 ADAEHM Cc1ccccc1[C@@H](F)[C@H](N)C(=O)[O-] 257846584 573667276 /nfs/dbraw/zinc/66/72/76/573667276.db2.gz NTQKVRRXLNPKLB-BDAKNGLRSA-N -1 3 197.209 1.418 10 0 ADAEHM Nc1oncc1-c1ccc([O-])cc1F 258075692 573668395 /nfs/dbraw/zinc/66/83/95/573668395.db2.gz MQGXPEAIRGURQN-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM Cc1oc(N)nc1-c1ccccc1[O-] 257845867 573676175 /nfs/dbraw/zinc/67/61/75/573676175.db2.gz NQIDLFBPSADITH-UHFFFAOYSA-N -1 3 190.202 1.938 10 0 ADAEHM C[C@@H](CCC1=CCN(C)CC1)C(=O)[O-] 258077757 573676084 /nfs/dbraw/zinc/67/60/84/573676084.db2.gz MRNXIHUHJMMZGV-VIFPVBQESA-N -1 3 197.278 1.749 10 0 ADAEHM [O-]c1cc(F)c(F)cc1CCCO 258090832 573678546 /nfs/dbraw/zinc/67/85/46/573678546.db2.gz NZGKLTMIBWFNAZ-UHFFFAOYSA-N -1 3 188.173 1.595 10 0 ADAEHM O=Cc1nocc1-c1ccc([O-])cc1 257846347 573678610 /nfs/dbraw/zinc/67/86/10/573678610.db2.gz QBEFPQMVVGEXRB-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM NC1(c2cc([O-])ccc2C=O)CC1 258080520 573679001 /nfs/dbraw/zinc/67/90/01/573679001.db2.gz VQMRQQSMDKAWQZ-UHFFFAOYSA-N -1 3 177.203 1.153 10 0 ADAEHM N[C@H](/C=C/c1ccccc1F)C(=O)[O-] 257847180 573681660 /nfs/dbraw/zinc/68/16/60/573681660.db2.gz NVTLGCLOQGBPMC-VUHVRTRXSA-N -1 3 195.193 1.251 10 0 ADAEHM C[C@@H]1[N-]C(=S)O[C@H]1c1ccccn1 238479317 573687297 /nfs/dbraw/zinc/68/72/97/573687297.db2.gz RNGZWEOQDHFJNS-POYBYMJQSA-N -1 3 194.259 1.416 10 0 ADAEHM C[C@@H]1[N-]C(=S)O[C@H]1c1ccncc1 238479335 573687653 /nfs/dbraw/zinc/68/76/53/573687653.db2.gz KXNILGFSTMYHFX-POYBYMJQSA-N -1 3 194.259 1.416 10 0 ADAEHM O=C(CCCO)Nc1ccccc1[O-] 236485036 573691879 /nfs/dbraw/zinc/69/18/79/573691879.db2.gz YTIDATLSFYUFGJ-UHFFFAOYSA-N -1 3 195.218 1.103 10 0 ADAEHM COc1cc([O-])c(F)c(CCO)c1 258088065 573694557 /nfs/dbraw/zinc/69/45/57/573694557.db2.gz NTGGQSHOKGPPSK-UHFFFAOYSA-N -1 3 186.182 1.075 10 0 ADAEHM Cc1cc([C@@H](N)C(=O)[O-])cc(C)c1C 258088131 573696776 /nfs/dbraw/zinc/69/67/76/573696776.db2.gz NUDIZTNGLDMISW-SNVBAGLBSA-N -1 3 193.246 1.696 10 0 ADAEHM Cc1ccc(Cc2cc(=O)[nH][n-]2)cc1 238481015 573696089 /nfs/dbraw/zinc/69/60/89/573696089.db2.gz APSHTRFWAWSOLL-UHFFFAOYSA-N -1 3 188.230 1.413 10 0 ADAEHM CC1(C)OC(C)(C)c2[n-]c(C=O)nc21 86927930 573696155 /nfs/dbraw/zinc/69/61/55/573696155.db2.gz MLJPNIKZCXKSCD-UHFFFAOYSA-N -1 3 194.234 1.723 10 0 ADAEHM CCc1[nH]c(=S)[n-]c1C(=O)OC 258087383 573696465 /nfs/dbraw/zinc/69/64/65/573696465.db2.gz JEDXOBPIAIWUEG-UHFFFAOYSA-N -1 3 186.236 1.047 10 0 ADAEHM O=c1ccn(CCC2CC2)c(=S)[n-]1 83912446 573696732 /nfs/dbraw/zinc/69/67/32/573696732.db2.gz MZWZSUIRAZYBKL-UHFFFAOYSA-N -1 3 196.275 1.706 10 0 ADAEHM C[C@H](c1cc(C(=O)[O-])n(C)c1)N(C)C 257848949 573702315 /nfs/dbraw/zinc/70/23/15/573702315.db2.gz OFYSKUZRAUKZLH-SSDOTTSWSA-N -1 3 196.250 1.346 10 0 ADAEHM CCN1CCc2ccc([O-])cc2C1=O 108240605 573705974 /nfs/dbraw/zinc/70/59/74/573705974.db2.gz SIGGCMQKGNAZSY-UHFFFAOYSA-N -1 3 191.230 1.410 10 0 ADAEHM CCCCn1[n-]c(CCC)c(N)c1=O 130795387 573710799 /nfs/dbraw/zinc/71/07/99/573710799.db2.gz VBUFCINGRWIUJO-UHFFFAOYSA-N -1 3 197.282 1.924 10 0 ADAEHM Cc1c[nH]c(=O)n1-c1ccccc1[O-] 108268069 573713994 /nfs/dbraw/zinc/71/39/94/573713994.db2.gz PKGGIMRFPPDZSK-UHFFFAOYSA-N -1 3 190.202 1.592 10 0 ADAEHM Cc1cc([O-])c2n[nH]cc2c1C 238493146 573713608 /nfs/dbraw/zinc/71/36/08/573713608.db2.gz DSCQSMLOQWSDGH-UHFFFAOYSA-N -1 3 162.192 1.885 10 0 ADAEHM Cc1cc([O-])c2nccn2c1 238494420 573721285 /nfs/dbraw/zinc/72/12/85/573721285.db2.gz KUGJGHJYYAOIDZ-UHFFFAOYSA-N -1 3 148.165 1.348 10 0 ADAEHM Cc1nc(C(F)F)c([O-])cc1O 238496086 573723818 /nfs/dbraw/zinc/72/38/18/573723818.db2.gz VQSYQDFQWLJXEK-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM CC(C)CC[C@@H]1CC(=O)C=C1[O-] 142918120 573723819 /nfs/dbraw/zinc/72/38/19/573723819.db2.gz ZVCBKPFBGRQOQT-MRVPVSSYSA-N -1 3 168.236 1.971 10 0 ADAEHM N[C@](CF)(C(=O)[O-])C1CCCCC1 257857799 573723924 /nfs/dbraw/zinc/72/39/24/573723924.db2.gz QIGBCNJFUVSMEZ-VIFPVBQESA-N -1 3 189.230 1.318 10 0 ADAEHM CC(C)CC[C@H]1CC(=O)C=C1[O-] 142918333 573724179 /nfs/dbraw/zinc/72/41/79/573724179.db2.gz ZVCBKPFBGRQOQT-QMMMGPOBSA-N -1 3 168.236 1.971 10 0 ADAEHM Cc1cc([O-])c(F)c(CCO)c1 258105839 573724857 /nfs/dbraw/zinc/72/48/57/573724857.db2.gz YICVIVKKZYYHNY-UHFFFAOYSA-N -1 3 170.183 1.375 10 0 ADAEHM Cc1nc(C(F)F)c([O-])cc1CO 238495910 573724906 /nfs/dbraw/zinc/72/49/06/573724906.db2.gz FCHSCJSWKUUPKK-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM N[C@@](CF)(C(=O)[O-])C1CCCCC1 257857796 573725545 /nfs/dbraw/zinc/72/55/45/573725545.db2.gz QIGBCNJFUVSMEZ-SECBINFHSA-N -1 3 189.230 1.318 10 0 ADAEHM CN[C@@H](C)c1ncc2cc([O-])ccn12 258417425 573730392 /nfs/dbraw/zinc/73/03/92/573730392.db2.gz CIWGOIXRZZGGCO-ZETCQYMHSA-N -1 3 191.234 1.320 10 0 ADAEHM O=Cc1c([O-])ccc2c1CCC2 108284984 573730593 /nfs/dbraw/zinc/73/05/93/573730593.db2.gz OUBBUDVCXAKBAD-UHFFFAOYSA-N -1 3 162.188 1.693 10 0 ADAEHM [O-]c1ccc(CCO)cc1C(F)F 258110780 573730715 /nfs/dbraw/zinc/73/07/15/573730715.db2.gz PNMHTWCBUMAJBC-UHFFFAOYSA-N -1 3 188.173 1.865 10 0 ADAEHM O=Cc1cc2c(cc1[O-])COC2 108285214 573730792 /nfs/dbraw/zinc/73/07/92/573730792.db2.gz DGOAWOUYELXMNT-UHFFFAOYSA-N -1 3 164.160 1.235 10 0 ADAEHM Cc1cc(CO)c([O-])c(C(F)F)n1 238487831 573730923 /nfs/dbraw/zinc/73/09/23/573730923.db2.gz LTFLMQBHLBVZPV-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM NCc1oc2ccccc2c1[O-] 108285054 573731064 /nfs/dbraw/zinc/73/10/64/573731064.db2.gz ZJONIXPQOZOEKX-UHFFFAOYSA-N -1 3 163.176 1.597 10 0 ADAEHM Cc1cc([C@@H](C)O)cc([O-])c1F 258109808 573731121 /nfs/dbraw/zinc/73/11/21/573731121.db2.gz YYJLGAACBNAXRI-ZCFIWIBFSA-N -1 3 170.183 1.893 10 0 ADAEHM Cc1ccc([C@H](N)[C@H](F)C(=O)[O-])cc1 238489701 573735712 /nfs/dbraw/zinc/73/57/12/573735712.db2.gz ULLIRHJYRYVMLF-IUCAKERBSA-N -1 3 197.209 1.418 10 0 ADAEHM CCOC(=O)[C@@H](F)c1ccccc1[O-] 257858488 573735003 /nfs/dbraw/zinc/73/50/03/573735003.db2.gz QKYAMOPFJYOUQW-VIFPVBQESA-N -1 3 198.193 1.966 10 0 ADAEHM Cc1cc(CO)cc(C=O)c1[O-] 238488886 573735644 /nfs/dbraw/zinc/73/56/44/573735644.db2.gz MXYDSLHXHJMXKF-UHFFFAOYSA-N -1 3 166.176 1.005 10 0 ADAEHM O=C1OCCCN1c1ccccc1[O-] 257860015 573736221 /nfs/dbraw/zinc/73/62/21/573736221.db2.gz QVHMNALKQBDUMG-UHFFFAOYSA-N -1 3 193.202 1.739 10 0 ADAEHM CN(C)Cc1ccc(F)c(C(=O)[O-])c1 75927754 573736429 /nfs/dbraw/zinc/73/64/29/573736429.db2.gz GDSQBFWCBQNIEK-UHFFFAOYSA-N -1 3 197.209 1.586 10 0 ADAEHM Cc1ccc([C@H](N)[C@@H](F)C(=O)[O-])cc1 238489591 573736478 /nfs/dbraw/zinc/73/64/78/573736478.db2.gz ULLIRHJYRYVMLF-BDAKNGLRSA-N -1 3 197.209 1.418 10 0 ADAEHM COC(=O)c1cc2oc(CN)cc2[n-]1 257853366 573736623 /nfs/dbraw/zinc/73/66/23/573736623.db2.gz PMIOECHALODMLY-UHFFFAOYSA-N -1 3 194.190 1.006 10 0 ADAEHM Cc1c[n-]c(C(F)F)c(C=O)c1=O 238501504 573744345 /nfs/dbraw/zinc/74/43/45/573744345.db2.gz CSKLDYZCZHUVGV-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM Nc1cc(-c2ccc([O-])cc2F)no1 258113455 573738584 /nfs/dbraw/zinc/73/85/84/573738584.db2.gz PXOFLXHQXMCKGI-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM CCc1cc(C(=O)CN)c(C)cc1[O-] 258113432 573738721 /nfs/dbraw/zinc/73/87/21/573738721.db2.gz PXADTJAYGMRJEA-UHFFFAOYSA-N -1 3 193.246 1.404 10 0 ADAEHM Cc1ncc(CC(C)C)c(=O)[n-]1 258422089 573743128 /nfs/dbraw/zinc/74/31/28/573743128.db2.gz CTQFWCPKVMQCBE-UHFFFAOYSA-N -1 3 166.224 1.689 10 0 ADAEHM Cn1ncc([O-])c1C1CCC1 258419883 573742952 /nfs/dbraw/zinc/74/29/52/573742952.db2.gz BVBVENIJZFKGDN-UHFFFAOYSA-N -1 3 152.197 1.393 10 0 ADAEHM NCc1c(F)c([O-])cc(F)c1F 258102049 573742993 /nfs/dbraw/zinc/74/29/93/573742993.db2.gz XYGPNWVUSPHKHH-UHFFFAOYSA-N -1 3 177.125 1.268 10 0 ADAEHM C[C@@H]1CC(=O)N(c2ccccc2[O-])O1 257863884 573747120 /nfs/dbraw/zinc/74/71/20/573747120.db2.gz RQQLDCIVYUHAJP-SSDOTTSWSA-N -1 3 193.202 1.449 10 0 ADAEHM Cc1c(N)noc1-c1ccccc1[O-] 257863167 573747410 /nfs/dbraw/zinc/74/74/10/573747410.db2.gz RMZUCZHMRHLFJZ-UHFFFAOYSA-N -1 3 190.202 1.938 10 0 ADAEHM Cc1ccc2c(n1)NCCC(=S)[N-]2 238497857 573750381 /nfs/dbraw/zinc/75/03/81/573750381.db2.gz OFFCXQMHLLNHHA-UHFFFAOYSA-N -1 3 193.275 1.945 10 0 ADAEHM Cc1c(O)cc2c([O-])coc2c1C 238497128 573750565 /nfs/dbraw/zinc/75/05/65/573750565.db2.gz GSHJMXSQQVDESJ-UHFFFAOYSA-N -1 3 178.187 1.584 10 0 ADAEHM CC(=O)[N-]C(=S)Oc1ccccc1 238068510 573754116 /nfs/dbraw/zinc/75/41/16/573754116.db2.gz WGHLEDVWAWRBLB-UHFFFAOYSA-N -1 3 195.243 1.486 10 0 ADAEHM Cc1nc(C(F)F)cc(C=O)c1[O-] 238498417 573753705 /nfs/dbraw/zinc/75/37/05/573753705.db2.gz HEWPVCQDCQLQRB-UHFFFAOYSA-N -1 3 187.145 1.846 10 0 ADAEHM [O-]c1ccc([C@H](F)CO)c(F)c1 257869170 573760345 /nfs/dbraw/zinc/76/03/45/573760345.db2.gz XWTYBULWWVYYMR-MRVPVSSYSA-N -1 3 174.146 1.534 10 0 ADAEHM CC1=NC(=O)[N-]c2ccccc2N1 238505492 573760478 /nfs/dbraw/zinc/76/04/78/573760478.db2.gz PMJPSUIGMOOPSC-UHFFFAOYSA-N -1 3 175.191 1.885 10 0 ADAEHM Cc1ccc2c(c1C(=O)[O-])OC[C@H]2N 238506583 573760553 /nfs/dbraw/zinc/76/05/53/573760553.db2.gz WDTUWMGDNPBFDZ-SSDOTTSWSA-N -1 3 193.202 1.085 10 0 ADAEHM O=c1c2c([n-]n1C1CCCC1)CNC2 257869022 573763747 /nfs/dbraw/zinc/76/37/47/573763747.db2.gz SPRZITXCDREFGX-UHFFFAOYSA-N -1 3 193.250 1.307 10 0 ADAEHM C[C@](F)(CO)c1ccc([O-])cc1F 257869057 573764076 /nfs/dbraw/zinc/76/40/76/573764076.db2.gz XQZOBBMKSWBVHR-VIFPVBQESA-N -1 3 188.173 1.708 10 0 ADAEHM [O-]c1ccc2nnc(C3CCC3)n2c1 258123999 573764119 /nfs/dbraw/zinc/76/41/19/573764119.db2.gz ZBDBQXZCCGVZCF-UHFFFAOYSA-N -1 3 189.218 1.702 10 0 ADAEHM Cc1cc([O-])c(F)c(CCON)c1 258121264 573764236 /nfs/dbraw/zinc/76/42/36/573764236.db2.gz QSCSNPJNEUBRSN-UHFFFAOYSA-N -1 3 185.198 1.273 10 0 ADAEHM Cc1cnc(C(F)F)c([O-])c1N 238508810 573767890 /nfs/dbraw/zinc/76/78/90/573767890.db2.gz IHOJUUXOGLEGLL-UHFFFAOYSA-N -1 3 174.150 1.615 10 0 ADAEHM Cc1cc(C(F)F)c([O-])c(CO)n1 238509555 573770331 /nfs/dbraw/zinc/77/03/31/573770331.db2.gz DLTIGYUSFBPFSS-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM O=Cc1n[nH]cc1-c1ccccc1[O-] 257871894 573770773 /nfs/dbraw/zinc/77/07/73/573770773.db2.gz YKLIQFSGSJRYOP-UHFFFAOYSA-N -1 3 188.186 1.595 10 0 ADAEHM Cc1[n-]n(-c2ccccc2)c(=O)c1N 100071943 573770928 /nfs/dbraw/zinc/77/09/28/573770928.db2.gz QXLLMUATXAEVJJ-UHFFFAOYSA-N -1 3 189.218 1.469 10 0 ADAEHM C[C@@H]1C=Cc2cc(C=O)c([O-])cc2O1 238509568 573771087 /nfs/dbraw/zinc/77/10/87/573771087.db2.gz CGAFIABPFOCAES-SSDOTTSWSA-N -1 3 190.198 1.999 10 0 ADAEHM Cc1ccc2[nH]cnc2c1[O-] 238511629 573772572 /nfs/dbraw/zinc/77/25/72/573772572.db2.gz APFHHNQVPCPYSH-UHFFFAOYSA-N -1 3 148.165 1.577 10 0 ADAEHM COc1cc(F)cc([O-])c1[C@H](C)O 258126457 573773162 /nfs/dbraw/zinc/77/31/62/573773162.db2.gz RASORKKFJQUJLA-YFKPBYRVSA-N -1 3 186.182 1.593 10 0 ADAEHM CCCn1c(=O)[nH]c2cccc([O-])c21 257874857 573774962 /nfs/dbraw/zinc/77/49/62/573774962.db2.gz GDDIFVQNYUSGAD-UHFFFAOYSA-N -1 3 192.218 1.445 10 0 ADAEHM COC(=O)[C@](C)(F)c1ccccc1[O-] 257877196 573776412 /nfs/dbraw/zinc/77/64/12/573776412.db2.gz USEAEBYNWFDGCD-SNVBAGLBSA-N -1 3 198.193 1.750 10 0 ADAEHM Cc1ccc(Cl)cc1[C@@H](N)C(=O)[O-] 76135431 573776459 /nfs/dbraw/zinc/77/64/59/573776459.db2.gz SMYANTCUNKZWFW-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM C=Cc1nc(C)c([O-])c(C=O)c1CO 238513592 573776843 /nfs/dbraw/zinc/77/68/43/573776843.db2.gz WOACGQJWDRCCLA-UHFFFAOYSA-N -1 3 193.202 1.043 10 0 ADAEHM COc1c([O-])cc(C(C)=O)cc1F 258118833 573777076 /nfs/dbraw/zinc/77/70/76/573777076.db2.gz QMELLJAHZJBMEB-UHFFFAOYSA-N -1 3 184.166 1.743 10 0 ADAEHM CNCc1ccc([O-])c(Cl)c1F 108372136 573783374 /nfs/dbraw/zinc/78/33/74/573783374.db2.gz KFTXDZKVAZNIOZ-UHFFFAOYSA-N -1 3 189.617 1.904 10 0 ADAEHM CC[C@@H](C)O[N-]C(=O)CCC(F)F 308436966 573783715 /nfs/dbraw/zinc/78/37/15/573783715.db2.gz XBQASYCHYFMKKF-ZCFIWIBFSA-N -1 3 195.209 1.878 10 0 ADAEHM C[C@@H](O)C(F)(F)c1ccccc1[O-] 257877235 573783818 /nfs/dbraw/zinc/78/38/18/573783818.db2.gz UTJAPHKVIKJSDJ-ZCFIWIBFSA-N -1 3 188.173 1.865 10 0 ADAEHM Cc1[n-]n(C(C)C)c(=O)c1C(C)C 108373736 573783006 /nfs/dbraw/zinc/78/30/06/573783006.db2.gz BLIRTKDHZVMMRQ-VIFPVBQESA-N -1 3 182.267 1.885 10 0 ADAEHM COc1nc(-c2ccc([O-])cc2)no1 87117060 573787021 /nfs/dbraw/zinc/78/70/21/573787021.db2.gz NSSSYDRAJTVPTJ-UHFFFAOYSA-N -1 3 192.174 1.451 10 0 ADAEHM C=Cc1ccc(OC(C)=O)cc1[O-] 238114819 573787035 /nfs/dbraw/zinc/78/70/35/573787035.db2.gz JKRWVYPOWLQUSB-UHFFFAOYSA-N -1 3 178.187 1.961 10 0 ADAEHM CCCc1nnc2ccc([O-])cn12 257877537 573786371 /nfs/dbraw/zinc/78/63/71/573786371.db2.gz BVMOKOMOAMDCGN-UHFFFAOYSA-N -1 3 177.207 1.387 10 0 ADAEHM NCc1nc(C2CCC2)c(F)c(=O)[n-]1 108374493 573786617 /nfs/dbraw/zinc/78/66/17/573786617.db2.gz YEGDYMRBKQUZSX-UHFFFAOYSA-N -1 3 197.213 1.048 10 0 ADAEHM CCCn1[n-]c(C)c(C(C)C)c1=O 108373748 573786688 /nfs/dbraw/zinc/78/66/88/573786688.db2.gz GZLVDECTSQQWMV-VIFPVBQESA-N -1 3 182.267 1.887 10 0 ADAEHM Cc1[n-]n(C(C)C)c(=O)c1C(C)C 108373732 573786734 /nfs/dbraw/zinc/78/67/34/573786734.db2.gz BLIRTKDHZVMMRQ-SECBINFHSA-N -1 3 182.267 1.885 10 0 ADAEHM [O-]c1cnn(CCN2CCCCC2)c1 257877329 573786775 /nfs/dbraw/zinc/78/67/75/573786775.db2.gz DVTPDTVUIGYXEU-UHFFFAOYSA-N -1 3 195.266 1.075 10 0 ADAEHM C[C@H](O)C(F)(F)c1ccccc1[O-] 257877234 573786802 /nfs/dbraw/zinc/78/68/02/573786802.db2.gz UTJAPHKVIKJSDJ-LURJTMIESA-N -1 3 188.173 1.865 10 0 ADAEHM CC(=O)Oc1cc(C)c([O-])c(C=O)c1 238113146 573786898 /nfs/dbraw/zinc/78/68/98/573786898.db2.gz OLOPFGIAPZTWMP-UHFFFAOYSA-N -1 3 194.186 1.438 10 0 ADAEHM Cc1nc2nnc(F)c-2c(Cl)[n-]1 238520243 573793791 /nfs/dbraw/zinc/79/37/91/573793791.db2.gz ULBCADYVDHMUAF-UHFFFAOYSA-N -1 3 186.577 1.454 10 0 ADAEHM Cc1nc(Cl)c2c(F)[n-]nc2n1 238520243 573793795 /nfs/dbraw/zinc/79/37/95/573793795.db2.gz ULBCADYVDHMUAF-UHFFFAOYSA-N -1 3 186.577 1.454 10 0 ADAEHM Cc1nc(Cl)c2c(F)nnc-2[n-]1 238520243 573793799 /nfs/dbraw/zinc/79/37/99/573793799.db2.gz ULBCADYVDHMUAF-UHFFFAOYSA-N -1 3 186.577 1.454 10 0 ADAEHM Cc1nc(Cl)c2c(C=O)nnc-2[n-]1 238520204 573793816 /nfs/dbraw/zinc/79/38/16/573793816.db2.gz KAURKAYXYMLDPL-UHFFFAOYSA-N -1 3 196.597 1.127 10 0 ADAEHM Cc1nc2nnc(C=O)c-2c(Cl)[n-]1 238520204 573793820 /nfs/dbraw/zinc/79/38/20/573793820.db2.gz KAURKAYXYMLDPL-UHFFFAOYSA-N -1 3 196.597 1.127 10 0 ADAEHM Cc1nc(Cl)c2c(C=O)n[n-]c2n1 238520204 573793825 /nfs/dbraw/zinc/79/38/25/573793825.db2.gz KAURKAYXYMLDPL-UHFFFAOYSA-N -1 3 196.597 1.127 10 0 ADAEHM Cc1nc(Cl)c2c(C=O)[n-]nc2n1 238520204 573793829 /nfs/dbraw/zinc/79/38/29/573793829.db2.gz KAURKAYXYMLDPL-UHFFFAOYSA-N -1 3 196.597 1.127 10 0 ADAEHM C[C@H](CO)c1c([O-])ccc(F)c1F 258131280 573799199 /nfs/dbraw/zinc/79/91/99/573799199.db2.gz RNHANYLKYHHTEK-RXMQYKEDSA-N -1 3 188.173 1.766 10 0 ADAEHM CC(=O)c1c(O)ccc([O-])c1Cl 238124690 573799278 /nfs/dbraw/zinc/79/92/78/573799278.db2.gz VWRFHUIYMXLUTD-UHFFFAOYSA-N -1 3 186.594 1.954 10 0 ADAEHM C[C@@H](CO)c1c([O-])ccc(F)c1F 258131287 573799872 /nfs/dbraw/zinc/79/98/72/573799872.db2.gz RNHANYLKYHHTEK-YFKPBYRVSA-N -1 3 188.173 1.766 10 0 ADAEHM Cc1cc2c[n-]c(=O)nc2cc1C 238514484 573799922 /nfs/dbraw/zinc/79/99/22/573799922.db2.gz TWQRLTIEGWKQDQ-UHFFFAOYSA-N -1 3 174.203 1.540 10 0 ADAEHM Nc1n[nH]cc1-c1ccc([O-])cc1F 258128840 573800930 /nfs/dbraw/zinc/80/09/30/573800930.db2.gz RJBMIOLBPICQMN-UHFFFAOYSA-N -1 3 193.181 1.504 10 0 ADAEHM CC(C)C1CCN(/C=C\C(=O)[O-])CC1 308438751 573801058 /nfs/dbraw/zinc/80/10/58/573801058.db2.gz WCNQSVFCIJQFHI-YVMONPNESA-N -1 3 197.278 1.953 10 0 ADAEHM Cc1ccc(Cl)c(CON)c1[O-] 258131320 573801445 /nfs/dbraw/zinc/80/14/45/573801445.db2.gz RNLOOHHZJBIRFS-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM O=Cc1n[n-]c(C(F)(F)F)c1Cl 84239169 573801506 /nfs/dbraw/zinc/80/15/06/573801506.db2.gz JUMRNXAGLRPCGF-UHFFFAOYSA-N -1 3 198.531 1.894 10 0 ADAEHM O=Cc1[n-]nc(C(F)(F)F)c1Cl 84239169 573801510 /nfs/dbraw/zinc/80/15/10/573801510.db2.gz JUMRNXAGLRPCGF-UHFFFAOYSA-N -1 3 198.531 1.894 10 0 ADAEHM CC(=O)Cc1ccc(C)c(F)c1[O-] 258133701 573802232 /nfs/dbraw/zinc/80/22/32/573802232.db2.gz RSBKNBYVHKGVBS-UHFFFAOYSA-N -1 3 182.194 1.971 10 0 ADAEHM Cc1cc(C2(O)CC2)cc([O-])c1F 258133622 573802946 /nfs/dbraw/zinc/80/29/46/573802946.db2.gz RPHVFOWKHSJWQN-UHFFFAOYSA-N -1 3 182.194 1.821 10 0 ADAEHM Cc1ccc(CON)c(Cl)c1[O-] 258133699 573803395 /nfs/dbraw/zinc/80/33/95/573803395.db2.gz RRYUIPZYJBQBTE-UHFFFAOYSA-N -1 3 187.626 1.744 10 0 ADAEHM Cc1c(N)c([O-])cc2c1C(=O)CC2 238515719 573803655 /nfs/dbraw/zinc/80/36/55/573803655.db2.gz KPPVXJXGBOLUHJ-UHFFFAOYSA-N -1 3 177.203 1.412 10 0 ADAEHM Cc1c[nH]c(=O)c2c([O-])cccc12 258135507 573803686 /nfs/dbraw/zinc/80/36/86/573803686.db2.gz KPZWVEZECZISSM-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM Cc1c[nH]c([O-])c2c(=O)cccc1-2 258135507 573803692 /nfs/dbraw/zinc/80/36/92/573803692.db2.gz KPZWVEZECZISSM-UHFFFAOYSA-N -1 3 175.187 1.954 10 0 ADAEHM COC(OC)c1c([O-])cccc1C=O 238353537 573805819 /nfs/dbraw/zinc/80/58/19/573805819.db2.gz VFMYTQMKKZPQAY-UHFFFAOYSA-N -1 3 196.202 1.496 10 0 ADAEHM Cc1ncc(N2CCCCC2)c(=O)[n-]1 238516659 573805936 /nfs/dbraw/zinc/80/59/36/573805936.db2.gz GBSHKZZYSWRRMS-UHFFFAOYSA-N -1 3 193.250 1.069 10 0 ADAEHM [O-]c1cc(F)ccc1CC1(O)CC1 258133624 573806229 /nfs/dbraw/zinc/80/62/29/573806229.db2.gz RPOIRIGHYOBQQY-UHFFFAOYSA-N -1 3 182.194 1.599 10 0 ADAEHM CN[C@@H](c1ccc(C)o1)[C@H](C)C(=O)[O-] 259196006 573806631 /nfs/dbraw/zinc/80/66/31/573806631.db2.gz FDSJVRWYGOLXFO-IONNQARKSA-N -1 3 197.234 1.569 10 0 ADAEHM CC(=O)c1cccc2c(=O)n(C)[n-]c12 257879387 573810208 /nfs/dbraw/zinc/81/02/08/573810208.db2.gz VELFDPFCPRENIL-UHFFFAOYSA-N -1 3 190.202 1.069 10 0 ADAEHM CN[C@H](c1ccc(C)o1)[C@@H](C)C(=O)[O-] 259196000 573809992 /nfs/dbraw/zinc/80/99/92/573809992.db2.gz FDSJVRWYGOLXFO-APPZFPTMSA-N -1 3 197.234 1.569 10 0 ADAEHM Cc1noc(C)c1-c1n[nH]c(=S)[n-]1 238529582 573812414 /nfs/dbraw/zinc/81/24/14/573812414.db2.gz XDVYJVGHWYTDTP-UHFFFAOYSA-N -1 3 196.235 1.739 10 0 ADAEHM O=C1CSc2cccc([O-])c2N1 259200279 573819091 /nfs/dbraw/zinc/81/90/91/573819091.db2.gz KREMEUJYUPPDPO-UHFFFAOYSA-N -1 3 181.216 1.436 10 0 ADAEHM [O-]c1ccc2nc(C3CCC3)nn2c1 257883602 573819196 /nfs/dbraw/zinc/81/91/96/573819196.db2.gz FQAZVMFEUBZQAE-UHFFFAOYSA-N -1 3 189.218 1.702 10 0 ADAEHM [O-]c1csc(-c2cc[nH]c2)n1 259204374 573820642 /nfs/dbraw/zinc/82/06/42/573820642.db2.gz HPTNJBVLPAKGOL-UHFFFAOYSA-N -1 3 166.205 1.844 10 0 ADAEHM CCCc1ncc2c([O-])cccn12 258147636 573821087 /nfs/dbraw/zinc/82/10/87/573821087.db2.gz HPOAGUGHDCJQPY-UHFFFAOYSA-N -1 3 176.219 1.992 10 0 ADAEHM CC(C)CCc1ncncc1[O-] 238130706 573823202 /nfs/dbraw/zinc/82/32/02/573823202.db2.gz APZJKCADGGBUMC-UHFFFAOYSA-N -1 3 166.224 1.771 10 0 ADAEHM Cc1nc(CN)cc(C(F)F)c1[O-] 238525142 573824330 /nfs/dbraw/zinc/82/43/30/573824330.db2.gz WDBOOQMWOUWVBN-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM CC1=CC=CC(=C2N[N-]C(=O)O2)C1=O 238526285 573824609 /nfs/dbraw/zinc/82/46/09/573824609.db2.gz BOCDTTWUSFAQFD-UHFFFAOYSA-N -1 3 192.174 1.456 10 0 ADAEHM O=C1Nc2c([O-])cccc2OC12CC2 259205641 573825265 /nfs/dbraw/zinc/82/52/65/573825265.db2.gz KZRUMDKNLYVDPG-UHFFFAOYSA-N -1 3 191.186 1.256 10 0 ADAEHM Cc1c(N)cnc(C(F)F)c1[O-] 238525980 573825671 /nfs/dbraw/zinc/82/56/71/573825671.db2.gz XHXCWZRFGGMWPL-UHFFFAOYSA-N -1 3 174.150 1.615 10 0 ADAEHM Cn1cnc2c(=S)[nH]c(=S)[n-]c21 238527462 573829738 /nfs/dbraw/zinc/82/97/38/573829738.db2.gz VNEHPNSBHFSQTF-UHFFFAOYSA-N -1 3 198.276 1.688 10 0 ADAEHM CC#CCCN1CC([C@@H](C)C(=O)[O-])C1 130102485 573834855 /nfs/dbraw/zinc/83/48/55/573834855.db2.gz XRRFDFWFPGIHHP-SECBINFHSA-N -1 3 195.262 1.052 10 0 ADAEHM Cc1c([O-])c(C)c(O)c(C=O)c1O 238533910 573838637 /nfs/dbraw/zinc/83/86/37/573838637.db2.gz LKMZMJIHTPUSSL-UHFFFAOYSA-N -1 3 182.175 1.233 10 0 ADAEHM Cc1cccc([O-])c1NC=O 238535437 573838737 /nfs/dbraw/zinc/83/87/37/573838737.db2.gz PRKXTNDMRZLZDH-UHFFFAOYSA-N -1 3 151.165 1.269 10 0 ADAEHM Cc1c(C(F)F)cnc(CN)c1[O-] 238534686 573838912 /nfs/dbraw/zinc/83/89/12/573838912.db2.gz RVPZGBNPSFAOPO-UHFFFAOYSA-N -1 3 188.177 1.492 10 0 ADAEHM C[C@@](F)(CC(=O)[O-])CN1CCCC1 257887497 573840412 /nfs/dbraw/zinc/84/04/12/573840412.db2.gz WMMSPQUPUTWPNX-SECBINFHSA-N -1 3 189.230 1.285 10 0 ADAEHM CC(C)n1[n-]c2c(c1=O)[C@H](C)NC2 259623272 573844118 /nfs/dbraw/zinc/84/41/18/573844118.db2.gz FOXAGMPHUSPZLX-LURJTMIESA-N -1 3 181.239 1.334 10 0 ADAEHM Cc1nccc(-c2nnc(Cl)[n-]2)n1 125246367 573845918 /nfs/dbraw/zinc/84/59/18/573845918.db2.gz OEDNDYGJMXERMW-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM Cc1nccc(-c2n[n-]c(Cl)n2)n1 125246367 573845924 /nfs/dbraw/zinc/84/59/24/573845924.db2.gz OEDNDYGJMXERMW-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM NOCCc1cc(F)cc(F)c1[O-] 258160594 573845925 /nfs/dbraw/zinc/84/59/25/573845925.db2.gz UYUPHDMICPIHNL-UHFFFAOYSA-N -1 3 189.161 1.103 10 0 ADAEHM Cc1nccc(-c2nc(Cl)n[n-]2)n1 125246367 573845927 /nfs/dbraw/zinc/84/59/27/573845927.db2.gz OEDNDYGJMXERMW-UHFFFAOYSA-N -1 3 195.613 1.224 10 0 ADAEHM CC(C)n1[n-]c2c(c1=O)[C@@H](C)NC2 259623275 573845942 /nfs/dbraw/zinc/84/59/42/573845942.db2.gz FOXAGMPHUSPZLX-ZCFIWIBFSA-N -1 3 181.239 1.334 10 0 ADAEHM C[C@H](N)c1c(F)c([O-])cc(F)c1F 258160514 573846114 /nfs/dbraw/zinc/84/61/14/573846114.db2.gz UXEJLDMSKIKZPD-VKHMYHEASA-N -1 3 191.152 1.829 10 0 ADAEHM Cn1c([S-])c(C=O)c2cnccc21 238539146 573850967 /nfs/dbraw/zinc/85/09/67/573850967.db2.gz BXDUREDYPHQFQC-UHFFFAOYSA-N -1 3 192.243 1.675 10 0 ADAEHM NCc1cc(C(=O)[O-])c(F)cc1F 257889340 573851097 /nfs/dbraw/zinc/85/10/97/573851097.db2.gz NDNPQCBTQJFORR-UHFFFAOYSA-N -1 3 187.145 1.122 10 0 ADAEHM Cc1c([O-])ccc2c(N)cc(=O)oc12 238540030 573852771 /nfs/dbraw/zinc/85/27/71/573852771.db2.gz BZVLFNMFGSPAKE-UHFFFAOYSA-N -1 3 191.186 1.378 10 0 ADAEHM Cc1cc([C@@H](N)C(=O)[O-])cc(O)c1C 258155402 573854550 /nfs/dbraw/zinc/85/45/50/573854550.db2.gz UMZQVOVLKBXBGH-SECBINFHSA-N -1 3 195.218 1.093 10 0 ADAEHM C[C@@H]1Cc2ccc([O-])cc2OC1=O 153801938 573856346 /nfs/dbraw/zinc/85/63/46/573856346.db2.gz PIOJZOLSPWPUKP-ZCFIWIBFSA-N -1 3 178.187 1.490 10 0 ADAEHM Cc1[nH][n-]c2c(C(C)C)[nH]c(=O)c1-2 238166875 573856578 /nfs/dbraw/zinc/85/65/78/573856578.db2.gz IDXILLSOOOHNGK-ZETCQYMHSA-N -1 3 179.223 1.159 10 0 ADAEHM Cc1[n-][nH]c2c(C(C)C)[nH]c(=O)c1-2 238166875 573856590 /nfs/dbraw/zinc/85/65/90/573856590.db2.gz IDXILLSOOOHNGK-ZETCQYMHSA-N -1 3 179.223 1.159 10 0 ADAEHM Cc1c(O)cnc(C(F)F)c1[O-] 238544403 573857332 /nfs/dbraw/zinc/85/73/32/573857332.db2.gz ZPUGUEAMGWMQSQ-UHFFFAOYSA-N -1 3 175.134 1.739 10 0 ADAEHM Nc1cc(-c2cc(F)ccc2[O-])on1 258155648 573857696 /nfs/dbraw/zinc/85/76/96/573857696.db2.gz USCLYACYQJWSOT-UHFFFAOYSA-N -1 3 194.165 1.769 10 0 ADAEHM COC(=O)[C@@H](F)c1ccccc1[O-] 257890284 573857703 /nfs/dbraw/zinc/85/77/03/573857703.db2.gz NGJBIOLZQXFCPY-QMMMGPOBSA-N -1 3 184.166 1.576 10 0 ADAEHM C[C@H](F)[C@@](N)(C(=O)[O-])C1CCCC1 257891745 573858100 /nfs/dbraw/zinc/85/81/00/573858100.db2.gz XFEBEJOXTOMYHJ-RCOVLWMOSA-N -1 3 189.230 1.317 10 0 ADAEHM O=CC([O-])=Cc1c(F)cccc1F 238544341 573858435 /nfs/dbraw/zinc/85/84/35/573858435.db2.gz OMWXRHSDTGZPJB-UHFFFAOYSA-N -1 3 184.141 1.275 10 0 ADAEHM Cc1c([O-])cnc(C(F)F)c1CO 238544278 573858458 /nfs/dbraw/zinc/85/84/58/573858458.db2.gz DZXIUVLVFGQJPH-UHFFFAOYSA-N -1 3 189.161 1.526 10 0 ADAEHM CC(C)Oc1cc(C2CC2)[n-]c(=O)n1 238167734 573861515 /nfs/dbraw/zinc/86/15/15/573861515.db2.gz QZIOCZCFFWZTOO-UHFFFAOYSA-N -1 3 194.234 1.847 10 0 ADAEHM C=C[C@@H](C)N1CC([C@H](C)C(=O)[O-])C1 130128622 573864442 /nfs/dbraw/zinc/86/44/42/573864442.db2.gz QOKROUWXNGVNHS-SFYZADRCSA-N -1 3 183.251 1.213 10 0 ADAEHM c1cnc([N-]c2nccs2)cn1 238541245 573871106 /nfs/dbraw/zinc/87/11/06/573871106.db2.gz VTAZWPRZSKAJEI-UHFFFAOYSA-N -1 3 178.220 1.677 10 0 ADAEHM CC(=O)c1c(O)cc([O-])c2c1OCC2 238164570 573871235 /nfs/dbraw/zinc/87/12/35/573871235.db2.gz DKDLQTQKFOHIAQ-UHFFFAOYSA-N -1 3 194.186 1.235 10 0 ADAEHM Cc1cc2c(cc1[O-])CCOC2=O 238541008 573872854 /nfs/dbraw/zinc/87/28/54/573872854.db2.gz FISDVEQQMYQNFQ-UHFFFAOYSA-N -1 3 178.187 1.414 10 0 ADAEHM C[C@](N)(C(=O)[O-])c1ccsc1 101544813 573874363 /nfs/dbraw/zinc/87/43/63/573874363.db2.gz ONTACQLSDXBILH-SSDOTTSWSA-N -1 3 171.221 1.007 10 0 ADAEHM CC(C)Nc1cncc([O-])c1 238165113 573874642 /nfs/dbraw/zinc/87/46/42/573874642.db2.gz DKKKGHHWTFULHM-UHFFFAOYSA-N -1 3 152.197 1.608 10 0 ADAEHM Cc1ccc([C@H](N)[C@H]2C[C@@H]2C(=O)[O-])o1 259579220 573880397 /nfs/dbraw/zinc/88/03/97/573880397.db2.gz ZBPPMPGSHGNLDM-ACLDMZEESA-N -1 3 195.218 1.309 10 0 ADAEHM CNCC(=O)c1ccc([O-])c(C)c1C 258171228 573880549 /nfs/dbraw/zinc/88/05/49/573880549.db2.gz VXYXETALUQTYTB-UHFFFAOYSA-N -1 3 193.246 1.411 10 0 ADAEHM Cc1ccc([C@H](N)[C@H]2C[C@H]2C(=O)[O-])o1 259579227 573883348 /nfs/dbraw/zinc/88/33/48/573883348.db2.gz ZBPPMPGSHGNLDM-LKEWCRSYSA-N -1 3 195.218 1.309 10 0 ADAEHM NC1(c2cc(F)c([O-])cc2F)CC1 238561586 573890044 /nfs/dbraw/zinc/89/00/44/573890044.db2.gz WYJHGPUPQPDPHL-UHFFFAOYSA-N -1 3 185.173 1.618 10 0 ADAEHM C[C@@H](F)[C@@](N)(C(=O)[O-])C(C)(C)C 257894755 573889856 /nfs/dbraw/zinc/88/98/56/573889856.db2.gz NYZDTTDDWNBHMV-SVGQVSJJSA-N -1 3 177.219 1.173 10 0 ADAEHM C[C@H](F)[C@](N)(C(=O)[O-])C(C)(C)C 257894756 573889963 /nfs/dbraw/zinc/88/99/63/573889963.db2.gz NYZDTTDDWNBHMV-XNCJUZBTSA-N -1 3 177.219 1.173 10 0 ADAEHM CC(=O)Cc1cc([O-])c(F)cc1O 258173804 573893341 /nfs/dbraw/zinc/89/33/41/573893341.db2.gz WBVLGUOFOKAVOA-UHFFFAOYSA-N -1 3 184.166 1.368 10 0 ADAEHM CC(=O)Cc1cc(O)c(F)cc1[O-] 258173804 573893345 /nfs/dbraw/zinc/89/33/45/573893345.db2.gz WBVLGUOFOKAVOA-UHFFFAOYSA-N -1 3 184.166 1.368 10 0 ADAEHM NCc1cnc(C(F)F)c([O-])c1 238563308 573893660 /nfs/dbraw/zinc/89/36/60/573893660.db2.gz ZZHJDWUBHBJPKN-UHFFFAOYSA-N -1 3 174.150 1.184 10 0 ADAEHM COc1ccc(C(O)=S)c([O-])c1 80340668 573893685 /nfs/dbraw/zinc/89/36/85/573893685.db2.gz LBMDEYAQCPEDDZ-UHFFFAOYSA-N -1 3 184.216 1.634 10 0 ADAEHM C[C@@H](N)c1c(F)c([O-])cc(O)c1F 258173662 573895139 /nfs/dbraw/zinc/89/51/39/573895139.db2.gz VZFJJQRVVJEWDP-GSVOUGTGSA-N -1 3 189.161 1.396 10 0 ADAEHM Cn1/c(=N/[O-])sc2ccccc21 102415182 573895667 /nfs/dbraw/zinc/89/56/67/573895667.db2.gz IONNAMKZAMTVGD-HJWRWDBZSA-N -1 3 180.232 1.530 10 0 ADAEHM Nc1ccc2scc([O-])c2c1 80445685 573895879 /nfs/dbraw/zinc/89/58/79/573895879.db2.gz MZJSTWTYNRCFFR-UHFFFAOYSA-N -1 3 165.217 1.557 10 0 ADAEHM N[C@@H](CC(=O)[O-])SC1CCCC1 259230428 573900995 /nfs/dbraw/zinc/90/09/95/573900995.db2.gz NBAPAJJHKJZHIL-SSDOTTSWSA-N -1 3 189.280 1.422 10 0 ADAEHM N[C@H](CC(=O)[O-])SC1CCCC1 259230432 573904357 /nfs/dbraw/zinc/90/43/57/573904357.db2.gz NBAPAJJHKJZHIL-ZETCQYMHSA-N -1 3 189.280 1.422 10 0 ADAEHM CN1C(=O)Cc2c1ccc([O-])c2F 257904081 573904419 /nfs/dbraw/zinc/90/44/19/573904419.db2.gz LCGIBWAGBZDXBY-UHFFFAOYSA-N -1 3 181.166 1.050 10 0 ADAEHM CN[C@H](/C=C/C(=O)[O-])c1ccccc1 259230178 573904749 /nfs/dbraw/zinc/90/47/49/573904749.db2.gz GKKXRPDRBNGUDO-QROSGCPLSA-N -1 3 191.230 1.588 10 0 ADAEHM CN1CCC(C2CCC2)=C(C(=O)[O-])C1 257904259 573906065 /nfs/dbraw/zinc/90/60/65/573906065.db2.gz ZGUBKQXEVFDGSZ-UHFFFAOYSA-N -1 3 195.262 1.503 10 0 ADAEHM [O-]c1ccccc1-c1coc(CO)n1 257895996 573906748 /nfs/dbraw/zinc/90/67/48/573906748.db2.gz XXGODFNWRUDFGR-UHFFFAOYSA-N -1 3 191.186 1.540 10 0 ADAEHM CCn1ncc([O-])c1C1CCC1 258451628 573908608 /nfs/dbraw/zinc/90/86/08/573908608.db2.gz FZDKMULYXIHJRI-UHFFFAOYSA-N -1 3 166.224 1.876 10 0 ADAEHM CCC(CC)c1cc(=O)[n-]c(N)n1 238193887 573909101 /nfs/dbraw/zinc/90/91/01/573909101.db2.gz PJBCILURPRHROM-UHFFFAOYSA-N -1 3 181.239 1.668 10 0 ADAEHM COc1cccc2c(=O)o[n-]c12 258453424 573910234 /nfs/dbraw/zinc/91/02/34/573910234.db2.gz GHVYBYVNJIWGGX-UHFFFAOYSA-N -1 3 165.148 1.130 10 0 ADAEHM CC(C)c1ncc(CO)c(C=O)c1[O-] 238183801 573911202 /nfs/dbraw/zinc/91/12/02/573911202.db2.gz GQWOLXDEYMJZIB-UHFFFAOYSA-N -1 3 195.218 1.215 10 0 ADAEHM O=Cc1nc(-c2ccccc2[O-])co1 257897070 573911294 /nfs/dbraw/zinc/91/12/94/573911294.db2.gz YERDWZKWUUVICK-UHFFFAOYSA-N -1 3 189.170 1.860 10 0 ADAEHM Cc1cc(N=O)c([O-])cc1O 80823255 573911321 /nfs/dbraw/zinc/91/13/21/573911321.db2.gz VFQHNALIEJEQMY-UHFFFAOYSA-N -1 3 153.137 1.804 10 0 ADAEHM C[C@@]1(c2ccco2)CC[C@H](C(=O)[O-])N1 76636347 573913551 /nfs/dbraw/zinc/91/35/51/573913551.db2.gz RFVNOQUEFXGSDR-XCBNKYQSSA-N -1 3 195.218 1.331 10 0 ADAEHM C[C@]1(c2ccco2)CC[C@@H](C(=O)[O-])N1 76636348 573912844 /nfs/dbraw/zinc/91/28/44/573912844.db2.gz RFVNOQUEFXGSDR-OIBJUYFYSA-N -1 3 195.218 1.331 10 0 ADAEHM COC(=O)c1ncc(-c2cc[nH]c2)[n-]1 259005677 573916616 /nfs/dbraw/zinc/91/66/16/573916616.db2.gz CRBZFZMTELLCNT-UHFFFAOYSA-N -1 3 191.190 1.191 10 0 ADAEHM COC(=O)c1nc(-c2cc[nH]c2)c[n-]1 259005677 573916620 /nfs/dbraw/zinc/91/66/20/573916620.db2.gz CRBZFZMTELLCNT-UHFFFAOYSA-N -1 3 191.190 1.191 10 0 ADAEHM CNC(=O)Oc1nc2ccccc2[n-]1 103199961 573919102 /nfs/dbraw/zinc/91/91/02/573919102.db2.gz ZAIRCVNISFRBHW-UHFFFAOYSA-N -1 3 191.190 1.281 10 0 ADAEHM COC(=O)[C@@H](C)c1ccc(F)cc1[O-] 145092590 573918601 /nfs/dbraw/zinc/91/86/01/573918601.db2.gz ICVYNHFCZHLUHA-LURJTMIESA-N -1 3 198.193 1.808 10 0 ADAEHM Cc1onc([C@@H](N)C(C)C)c1C(=O)[O-] 238186165 573918776 /nfs/dbraw/zinc/91/87/76/573918776.db2.gz AYWAUEQGQMBCMS-ZETCQYMHSA-N -1 3 198.222 1.337 10 0 ADAEHM NOCc1cc2cccc([O-])c2s1 258182276 573922200 /nfs/dbraw/zinc/92/22/00/573922200.db2.gz MZSVVJBXFBHBTQ-UHFFFAOYSA-N -1 3 195.243 1.997 10 0 ADAEHM Cc1cc(=O)[n-]c(C2CCC2)n1 84888058 573922391 /nfs/dbraw/zinc/92/23/91/573922391.db2.gz ZXHVBUINWAXHDT-UHFFFAOYSA-N -1 3 164.208 1.346 10 0 ADAEHM Cc1cccc(-c2c(C)[n-][nH]c2=O)c1 103376713 573923849 /nfs/dbraw/zinc/92/38/49/573923849.db2.gz HGAUJBYXWLGCTR-SNVBAGLBSA-N -1 3 188.230 1.584 10 0 ADAEHM C[C@@H](CCC(=O)[O-])CN1CC2(CC2)C1 131740773 573932142 /nfs/dbraw/zinc/93/21/42/573932142.db2.gz JFYJCVVUQINKIX-VIFPVBQESA-N -1 3 197.278 1.583 10 0 ADAEHM C=Cc1ccc([C@@H](N)C(=O)[O-])cc1 81165348 573932183 /nfs/dbraw/zinc/93/21/83/573932183.db2.gz OJMPFWAWEWXHLB-SECBINFHSA-N -1 3 177.203 1.414 10 0 ADAEHM C[C@H]1C[C@]1(C(=O)[O-])C1CCN(C)CC1 259019732 573933257 /nfs/dbraw/zinc/93/32/57/573933257.db2.gz PPJFMVRVBDDCJE-GZMMTYOYSA-N -1 3 197.278 1.439 10 0 ADAEHM CCC1(CC)CN(C/C=C/C(=O)[O-])C1 308465667 573933297 /nfs/dbraw/zinc/93/32/97/573933297.db2.gz GLTNUGOISUZKHM-AATRIKPKSA-N -1 3 197.278 1.749 10 0 ADAEHM C[C@H](CCC(=O)[O-])CN1CC2(CC2)C1 131741011 573933376 /nfs/dbraw/zinc/93/33/76/573933376.db2.gz JFYJCVVUQINKIX-SECBINFHSA-N -1 3 197.278 1.583 10 0 ADAEHM Cc1ccncc1-c1cc(=O)[n-]cn1 235816295 573936495 /nfs/dbraw/zinc/93/64/95/573936495.db2.gz QJNZLLQKDOLNDG-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM CC(C)Cc1cc(=S)n(C)[n-]1 87525093 573936523 /nfs/dbraw/zinc/93/65/23/573936523.db2.gz HCOWXERPNKKWRB-UHFFFAOYSA-N -1 3 170.281 1.907 10 0 ADAEHM C[C@@H]1C[C@@]1(C(=O)[O-])C1CCN(C)CC1 259020406 573936826 /nfs/dbraw/zinc/93/68/26/573936826.db2.gz PPJFMVRVBDDCJE-KCJUWKMLSA-N -1 3 197.278 1.439 10 0 ADAEHM O=C([O-])c1ncsc1CNC1CC1 257905528 573936874 /nfs/dbraw/zinc/93/68/74/573936874.db2.gz LFQIXSXUUASYML-UHFFFAOYSA-N -1 3 198.247 1.093 10 0 ADAEHM CNc1nc(CC(C)C)cc(=O)[n-]1 87522531 573936920 /nfs/dbraw/zinc/93/69/20/573936920.db2.gz GGBFBAPCANFJFU-UHFFFAOYSA-N -1 3 181.239 1.010 10 0 ADAEHM CCc1nc(CC(C)C)cc(=O)[n-]1 87522502 573936979 /nfs/dbraw/zinc/93/69/79/573936979.db2.gz ULTRHLKSRPNNRU-UHFFFAOYSA-N -1 3 180.251 1.531 10 0 ADAEHM CC(C)Cc1cc(=O)[n-]c(N(C)C)n1 87522506 573938533 /nfs/dbraw/zinc/93/85/33/573938533.db2.gz DWFIEOMOGVMTEM-UHFFFAOYSA-N -1 3 195.266 1.034 10 0 ADAEHM CCc1cc(=O)[n-]c(C2(C)CC2)n1 87548733 573939926 /nfs/dbraw/zinc/93/99/26/573939926.db2.gz HLYSUVXORQYYOK-UHFFFAOYSA-N -1 3 178.235 1.384 10 0 ADAEHM CC(C)(C)C1CN(C/C=C\C(=O)[O-])C1 308468689 573940106 /nfs/dbraw/zinc/94/01/06/573940106.db2.gz IWJNPUHIAINWHC-PLNGDYQASA-N -1 3 197.278 1.605 10 0 ADAEHM CC(C)c1cc(=O)[n-]c(C2(C)CC2)n1 87548735 573942162 /nfs/dbraw/zinc/94/21/62/573942162.db2.gz AQVYVNCNQAYXEV-UHFFFAOYSA-N -1 3 192.262 1.945 10 0 ADAEHM Cc1nc(C2(C)CC2)[n-]c(=O)c1C 87548739 573942184 /nfs/dbraw/zinc/94/21/84/573942184.db2.gz RWRDZXDUXAQSPU-UHFFFAOYSA-N -1 3 178.235 1.438 10 0 ADAEHM Cc1cc(=O)[n-]c(C2(C)CC2)n1 87548727 573942226 /nfs/dbraw/zinc/94/22/26/573942226.db2.gz PTYXKCLFOBIEQZ-UHFFFAOYSA-N -1 3 164.208 1.130 10 0 ADAEHM CCc1c(C)nc(C2(C)CC2)[n-]c1=O 87548741 573942262 /nfs/dbraw/zinc/94/22/62/573942262.db2.gz CRDACKJORSGJKE-UHFFFAOYSA-N -1 3 192.262 1.692 10 0 ADAEHM CCC(=O)N(C)c1ccccc1[O-] 238203888 573942947 /nfs/dbraw/zinc/94/29/47/573942947.db2.gz QIDAXTPMXVVKKZ-UHFFFAOYSA-N -1 3 179.219 1.765 10 0 ADAEHM [O-]c1ccc(F)c(F)c1CCO 257907325 573943017 /nfs/dbraw/zinc/94/30/17/573943017.db2.gz AEPCXZHQEHOAGR-UHFFFAOYSA-N -1 3 174.146 1.205 10 0 ADAEHM CC(=O)c1cccc2c(=O)o[n-]c12 257907613 573944453 /nfs/dbraw/zinc/94/44/53/573944453.db2.gz PWEYIVXPECGOPT-UHFFFAOYSA-N -1 3 177.159 1.324 10 0 ADAEHM NC1(c2ccc(F)c([O-])c2F)CC1 258187069 573944716 /nfs/dbraw/zinc/94/47/16/573944716.db2.gz XDBUYOQWFYXVFY-UHFFFAOYSA-N -1 3 185.173 1.618 10 0 ADAEHM CN1C(=O)CCc2c1ccc([O-])c2F 257907072 573945503 /nfs/dbraw/zinc/94/55/03/573945503.db2.gz LMDMIABJNHFZMA-UHFFFAOYSA-N -1 3 195.193 1.440 10 0 ADAEHM Cc1nc(-c2ccco2)[nH]c1[O-] 235837069 573945585 /nfs/dbraw/zinc/94/55/85/573945585.db2.gz MIQPLTVZQCHNFU-UHFFFAOYSA-N -1 3 164.164 1.684 10 0 ADAEHM Cc1c(N)nc([C@@H]2CC2(C)C)[n-]c1=O 235826125 573945781 /nfs/dbraw/zinc/94/57/81/573945781.db2.gz LPYRAVFDMNGVDB-LURJTMIESA-N -1 3 193.250 1.174 10 0 ADAEHM Clc1nnc(-c2cncs2)[n-]1 87575482 573953505 /nfs/dbraw/zinc/95/35/05/573953505.db2.gz MQAYYCHALGRGJQ-UHFFFAOYSA-N -1 3 186.627 1.582 10 0 ADAEHM Clc1nc(-c2cncs2)n[n-]1 87575482 573953508 /nfs/dbraw/zinc/95/35/08/573953508.db2.gz MQAYYCHALGRGJQ-UHFFFAOYSA-N -1 3 186.627 1.582 10 0 ADAEHM Clc1n[n-]c(-c2cncs2)n1 87575482 573953516 /nfs/dbraw/zinc/95/35/16/573953516.db2.gz MQAYYCHALGRGJQ-UHFFFAOYSA-N -1 3 186.627 1.582 10 0 ADAEHM C[C@H](CO)c1ccc([O-])c(F)c1 257910002 573953643 /nfs/dbraw/zinc/95/36/43/573953643.db2.gz APCQMEJKYQXYFQ-ZCFIWIBFSA-N -1 3 170.183 1.627 10 0 ADAEHM C[C@@H](CO)c1ccc([O-])c(F)c1 257910000 573953678 /nfs/dbraw/zinc/95/36/78/573953678.db2.gz APCQMEJKYQXYFQ-LURJTMIESA-N -1 3 170.183 1.627 10 0 ADAEHM Cc1ccc(F)c([O-])c1CON 257915555 573953709 /nfs/dbraw/zinc/95/37/09/573953709.db2.gz BMNPODRFLYPXRH-UHFFFAOYSA-N -1 3 171.171 1.230 10 0 ADAEHM [O-]c1cc(CO)c(F)cc1F 258026787 573953731 /nfs/dbraw/zinc/95/37/31/573953731.db2.gz OSGSFCUDDYVOIG-UHFFFAOYSA-N -1 3 160.119 1.163 10 0 ADAEHM CCn1[n-]c(C)c(N)c1=S 85023020 573954611 /nfs/dbraw/zinc/95/46/11/573954611.db2.gz KMYDTJFCQAVDOR-UHFFFAOYSA-N -1 3 157.242 1.082 10 0 ADAEHM Cc1nc(CC2CC2)[n-]c(=O)c1C 87580505 573954792 /nfs/dbraw/zinc/95/47/92/573954792.db2.gz HNWPQZXAVXMOPA-UHFFFAOYSA-N -1 3 178.235 1.339 10 0 ADAEHM CCc1cnc2c([O-])cccn12 258462026 573954810 /nfs/dbraw/zinc/95/48/10/573954810.db2.gz HEUCNIYTAKYPFB-UHFFFAOYSA-N -1 3 162.192 1.602 10 0 ADAEHM CCCCNc1nc(C)c(C)c(=O)[n-]1 238209556 573954821 /nfs/dbraw/zinc/95/48/21/573954821.db2.gz RZCYQFLDEQBUJB-UHFFFAOYSA-N -1 3 195.266 1.599 10 0 ADAEHM Cc1c(-c2ccccn2)nc[n-]c1=O 235842789 573954897 /nfs/dbraw/zinc/95/48/97/573954897.db2.gz FVZRSXFHCCDHRT-UHFFFAOYSA-N -1 3 187.202 1.140 10 0 ADAEHM CC(=O)Nc1c([O-])cccc1C(C)=O 258189701 573955267 /nfs/dbraw/zinc/95/52/67/573955267.db2.gz XJRGYNZIVICCPY-UHFFFAOYSA-N -1 3 193.202 1.553 10 0 ADAEHM S=c1[n-]c(Br)co1 257911821 573957683 /nfs/dbraw/zinc/95/76/83/573957683.db2.gz PXKUWJGIOMXUOB-UHFFFAOYSA-N -1 3 180.026 1.726 10 0 ADAEHM C[C@H](CO)c1ccc([O-])c(F)c1O 258189452 573958971 /nfs/dbraw/zinc/95/89/71/573958971.db2.gz XEAVSHWFAADHMK-RXMQYKEDSA-N -1 3 186.182 1.333 10 0 ADAEHM Cc1ccc(F)c([O-])c1C[C@@H](C)O 258192027 573967454 /nfs/dbraw/zinc/96/74/54/573967454.db2.gz XNYADEUPTFBLJJ-SSDOTTSWSA-N -1 3 184.210 1.763 10 0 ADAEHM O=C(Cc1ccsc1)c1cnn[n-]1 87598846 573967733 /nfs/dbraw/zinc/96/77/33/573967733.db2.gz GJOLJNJXNDRZGG-UHFFFAOYSA-N -1 3 193.231 1.292 10 0 ADAEHM O=C(Cc1ccsc1)c1c[n-]nn1 87598846 573967735 /nfs/dbraw/zinc/96/77/35/573967735.db2.gz GJOLJNJXNDRZGG-UHFFFAOYSA-N -1 3 193.231 1.292 10 0 ADAEHM O=C(Cc1ccsc1)c1cn[n-]n1 87598846 573967739 /nfs/dbraw/zinc/96/77/39/573967739.db2.gz GJOLJNJXNDRZGG-UHFFFAOYSA-N -1 3 193.231 1.292 10 0 ADAEHM O=C(Cc1ccccc1)c1cnn[n-]1 87598551 573967895 /nfs/dbraw/zinc/96/78/95/573967895.db2.gz OYEZKDZQGNYMLF-UHFFFAOYSA-N -1 3 187.202 1.230 10 0 ADAEHM O=C(Cc1ccccc1)c1c[n-]nn1 87598551 573967900 /nfs/dbraw/zinc/96/79/00/573967900.db2.gz OYEZKDZQGNYMLF-UHFFFAOYSA-N -1 3 187.202 1.230 10 0 ADAEHM O=C(Cc1ccccc1)c1cn[n-]n1 87598551 573967905 /nfs/dbraw/zinc/96/79/05/573967905.db2.gz OYEZKDZQGNYMLF-UHFFFAOYSA-N -1 3 187.202 1.230 10 0 ADAEHM O=C(c1cccc(F)c1)c1cnn[n-]1 87598767 573968064 /nfs/dbraw/zinc/96/80/64/573968064.db2.gz ZZWDDEYUDMKYAQ-UHFFFAOYSA-N -1 3 191.165 1.175 10 0 ADAEHM O=C(c1cccc(F)c1)c1c[n-]nn1 87598767 573968071 /nfs/dbraw/zinc/96/80/71/573968071.db2.gz ZZWDDEYUDMKYAQ-UHFFFAOYSA-N -1 3 191.165 1.175 10 0 ADAEHM O=C(c1cccc(F)c1)c1cn[n-]n1 87598767 573968076 /nfs/dbraw/zinc/96/80/76/573968076.db2.gz ZZWDDEYUDMKYAQ-UHFFFAOYSA-N -1 3 191.165 1.175 10 0 ADAEHM CC1CCC(C(=O)c2cnn[n-]2)CC1 87598587 573969335 /nfs/dbraw/zinc/96/93/35/573969335.db2.gz HLSRLFHGJFZRKM-UHFFFAOYSA-N -1 3 193.250 1.814 10 0 ADAEHM CC1CCC(C(=O)c2c[n-]nn2)CC1 87598587 573969339 /nfs/dbraw/zinc/96/93/39/573969339.db2.gz HLSRLFHGJFZRKM-UHFFFAOYSA-N -1 3 193.250 1.814 10 0 ADAEHM CC1CCC(C(=O)c2cn[n-]n2)CC1 87598587 573969344 /nfs/dbraw/zinc/96/93/44/573969344.db2.gz HLSRLFHGJFZRKM-UHFFFAOYSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@H]1CCC[C@@H](C(=O)c2cnn[n-]2)C1 87598716 573969561 /nfs/dbraw/zinc/96/95/61/573969561.db2.gz RVYREHBKFJVHFG-JGVFFNPUSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@H]1CCC[C@@H](C(=O)c2c[n-]nn2)C1 87598716 573969564 /nfs/dbraw/zinc/96/95/64/573969564.db2.gz RVYREHBKFJVHFG-JGVFFNPUSA-N -1 3 193.250 1.814 10 0 ADAEHM C[C@H]1CCC[C@@H](C(=O)c2cn[n-]n2)C1 87598716 573969568 /nfs/dbraw/zinc/96/95/68/573969568.db2.gz RVYREHBKFJVHFG-JGVFFNPUSA-N -1 3 193.250 1.814 10 0 ADAEHM O=C(c1cnn[n-]1)c1ccccc1F 87598453 573969681 /nfs/dbraw/zinc/96/96/81/573969681.db2.gz NKIFTHPJSJUFGE-UHFFFAOYSA-N -1 3 191.165 1.175 10 0 ADAEHM O=C(c1c[n-]nn1)c1ccccc1F 87598453 573969687 /nfs/dbraw/zinc/96/96/87/573969687.db2.gz NKIFTHPJSJUFGE-UHFFFAOYSA-N -1 3 191.165 1.175 10 0 ADAEHM O=C(c1cn[n-]n1)c1ccccc1F 87598453 573969688 /nfs/dbraw/zinc/96/96/88/573969688.db2.gz NKIFTHPJSJUFGE-UHFFFAOYSA-N -1 3 191.165 1.175 10 0 ADAEHM CC[C@](N)(C(=O)[O-])c1cccc(F)c1 104397484 573972676 /nfs/dbraw/zinc/97/26/76/573972676.db2.gz BNLBQFIYNHMJPL-SNVBAGLBSA-N -1 3 197.209 1.474 10 0 ADAEHM CC[C@](N)(C(=O)[O-])c1ccccc1F 104397154 573974881 /nfs/dbraw/zinc/97/48/81/573974881.db2.gz VOWIEKPEAOTKPY-SNVBAGLBSA-N -1 3 197.209 1.474 10 0 ADAEHM CCC(=O)Oc1ccc([O-])cc1F 238221863 573978539 /nfs/dbraw/zinc/97/85/39/573978539.db2.gz ODUOXNKOFGCJSO-UHFFFAOYSA-N -1 3 184.166 1.847 10 0 ADAEHM CCCc1cnc(=O)[n-]c1Cl 238223677 573979791 /nfs/dbraw/zinc/97/97/91/573979791.db2.gz GDEJGRBUXDJMNZ-UHFFFAOYSA-N -1 3 172.615 1.788 10 0 ADAEHM Cc1ccc([C@@](C)(N)C(=O)[O-])c(F)c1 104400843 573980174 /nfs/dbraw/zinc/98/01/74/573980174.db2.gz LAFJSXGWSJOBSG-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM O=Cc1cc2ncccc2cc1[O-] 82076938 573983776 /nfs/dbraw/zinc/98/37/76/573983776.db2.gz UAVFQBBMQICGJM-UHFFFAOYSA-N -1 3 173.171 1.753 10 0 ADAEHM O=C([O-])[C@@H]1CCSC2(CCC2)N1 87606497 573986243 /nfs/dbraw/zinc/98/62/43/573986243.db2.gz VCBRIDYDRAXURD-LURJTMIESA-N -1 3 187.264 1.046 10 0 ADAEHM CCc1ncc2ccc(C(=O)[O-])cn12 104458611 573987065 /nfs/dbraw/zinc/98/70/65/573987065.db2.gz IBMLKJHGJVESJC-UHFFFAOYSA-N -1 3 190.202 1.595 10 0 ADAEHM C[C@@H](CO)c1c([O-])cc(F)cc1F 258196598 573989531 /nfs/dbraw/zinc/98/95/31/573989531.db2.gz XZWGIGPXUSISLW-YFKPBYRVSA-N -1 3 188.173 1.766 10 0 ADAEHM Cc1nc[nH]c1-c1n[n-]c(=S)n1C 82131449 573989604 /nfs/dbraw/zinc/98/96/04/573989604.db2.gz OZRVOQGGZOKXDK-UHFFFAOYSA-N -1 3 195.251 1.176 10 0 ADAEHM C=CS(=O)(=O)c1cccc([O-])c1 82143473 573989637 /nfs/dbraw/zinc/98/96/37/573989637.db2.gz IAWSUZGTLFWRGW-UHFFFAOYSA-N -1 3 184.216 1.309 10 0 ADAEHM CCOC(=O)c1cc(C)c([O-])cc1O 104458792 573989354 /nfs/dbraw/zinc/98/93/54/573989354.db2.gz SPPCHKUNTVTXAQ-UHFFFAOYSA-N -1 3 196.202 1.583 10 0 ADAEHM C[C@H](CO)c1c([O-])cc(F)cc1F 258196596 573990272 /nfs/dbraw/zinc/99/02/72/573990272.db2.gz XZWGIGPXUSISLW-RXMQYKEDSA-N -1 3 188.173 1.766 10 0 ADAEHM Cn1ccnc1-c1ccc(O)cc1[O-] 104463560 573990413 /nfs/dbraw/zinc/99/04/13/573990413.db2.gz FTOOQGIZRNNZOZ-UHFFFAOYSA-N -1 3 190.202 1.498 10 0 ADAEHM Cc1ccc(F)c([O-])c1C1(O)CC1 258196623 573990577 /nfs/dbraw/zinc/99/05/77/573990577.db2.gz YAJJRBZVJJLRFY-UHFFFAOYSA-N -1 3 182.194 1.821 10 0 ADAEHM Cc1cc([O-])c2c(c1)C(=O)CC2 104467694 573992781 /nfs/dbraw/zinc/99/27/81/573992781.db2.gz BZFLJIZUDANBLE-UHFFFAOYSA-N -1 3 162.188 1.830 10 0 ADAEHM C[C@H]1Sc2cccc([O-])c2NC1=O 259262609 573992922 /nfs/dbraw/zinc/99/29/22/573992922.db2.gz OMROIVRMSBNZKJ-RXMQYKEDSA-N -1 3 195.243 1.825 10 0 ADAEHM O=C(c1cccc([O-])c1)n1ccnc1 82260025 573997516 /nfs/dbraw/zinc/99/75/16/573997516.db2.gz KVMJPCBVORPNBH-UHFFFAOYSA-N -1 3 188.186 1.277 10 0 ADAEHM O=C(c1ccc([O-])cc1)n1ccnc1 82259972 573997615 /nfs/dbraw/zinc/99/76/15/573997615.db2.gz AGCOMQZEZVTRBS-UHFFFAOYSA-N -1 3 188.186 1.277 10 0 ADAEHM COc1cc([C@H](N)C(=O)[O-])ccc1C 104473621 573995219 /nfs/dbraw/zinc/99/52/19/573995219.db2.gz NDDRAMDLNVFKBX-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM [O-]c1ccc(CNO)cc1C(F)F 258198721 574000954 /nfs/dbraw/zinc/00/09/54/574000954.db2.gz YAZSTLHIFIBRSE-UHFFFAOYSA-N -1 3 189.161 1.809 10 0 ADAEHM COc1ccc(C)c([C@H](N)C(=O)[O-])c1 104482949 574000400 /nfs/dbraw/zinc/00/04/00/574000400.db2.gz RXNKSQZPIKMJQM-VIFPVBQESA-N -1 3 195.218 1.088 10 0 ADAEHM Cc1cc(CCO)cc(Cl)c1[O-] 258198772 574002551 /nfs/dbraw/zinc/00/25/51/574002551.db2.gz YCSQQRWNNAXTTO-UHFFFAOYSA-N -1 3 186.638 1.889 10 0 ADAEHM Cc1cc([C@](C)(N)CC(=O)[O-])oc1C 104488790 574002760 /nfs/dbraw/zinc/00/27/60/574002760.db2.gz UVBHIAMJRBTRHB-SNVBAGLBSA-N -1 3 197.234 1.545 10 0 ADAEHM N[C@@H]1COc2cc([O-])c(Cl)cc21 104487985 574003866 /nfs/dbraw/zinc/00/38/66/574003866.db2.gz HIWHAAFFJFAISO-ZCFIWIBFSA-N -1 3 185.610 1.438 10 0 ADAEHM [NH3+][C@@H](CC(=O)[O-])c1cc([O-])cc(F)c1 104487694 574004034 /nfs/dbraw/zinc/00/40/34/574004034.db2.gz OEZVMPVKQQVIMX-QMMMGPOBSA-N -1 3 199.181 1.006 10 0 ADAEHM CCC(=O)c1c(O)cc([O-])c(C)c1O 238238890 574004153 /nfs/dbraw/zinc/00/41/53/574004153.db2.gz OIABYBLXUPXVPR-UHFFFAOYSA-N -1 3 196.202 1.705 10 0 ADAEHM CCc1ccc(O)cc1[C@H](N)C(=O)[O-] 104485186 574004213 /nfs/dbraw/zinc/00/42/13/574004213.db2.gz ACHKEBBWEYBOQS-VIFPVBQESA-N -1 3 195.218 1.039 10 0 ADAEHM N[C@H](CC(=O)[O-])c1cc(O)ccc1F 104486044 574004223 /nfs/dbraw/zinc/00/42/23/574004223.db2.gz SYNJIUYBCFNYAV-MRVPVSSYSA-N -1 3 199.181 1.006 10 0 ADAEHM N[C@H]1COc2cc([O-])c(Cl)cc21 104486526 574004243 /nfs/dbraw/zinc/00/42/43/574004243.db2.gz HIWHAAFFJFAISO-LURJTMIESA-N -1 3 185.610 1.438 10 0 ADAEHM [NH3+][C@H](CC(=O)[O-])c1cc([O-])cc(F)c1 104487690 574004381 /nfs/dbraw/zinc/00/43/81/574004381.db2.gz OEZVMPVKQQVIMX-MRVPVSSYSA-N -1 3 199.181 1.006 10 0 ADAEHM CC(=O)Cc1cc([O-])c(F)cc1F 258201089 574004398 /nfs/dbraw/zinc/00/43/98/574004398.db2.gz YJWNYYCVDQOCTQ-UHFFFAOYSA-N -1 3 186.157 1.802 10 0 ADAEHM Cc1ccc([C@@H](N)C(C)(C)C(=O)[O-])o1 104488743 574004444 /nfs/dbraw/zinc/00/44/44/574004444.db2.gz QCGCNPYRDATMFQ-MRVPVSSYSA-N -1 3 197.234 1.699 10 0 ADAEHM Cc1cc2c(o1)C[C@H](C)N[C@H]2C(=O)[O-] 74245047 574004446 /nfs/dbraw/zinc/00/44/46/574004446.db2.gz TYRJJUOEJXOBQM-SSDLBLMSSA-N -1 3 195.218 1.248 10 0 ADAEHM Cc1cc([C@@](C)(N)C(=O)[O-])sc1C 104486234 574005402 /nfs/dbraw/zinc/00/54/02/574005402.db2.gz TWKKVDAEVPFUGF-SECBINFHSA-N -1 3 199.275 1.623 10 0 ADAEHM Cc1cc(F)cc([C@@](C)(N)C(=O)[O-])c1 104488706 574004980 /nfs/dbraw/zinc/00/49/80/574004980.db2.gz PMHMEOWXLWDLQV-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM Nc1n[nH]cc1-c1ccc(O)cc1[O-] 258201074 574005017 /nfs/dbraw/zinc/00/50/17/574005017.db2.gz YJLHBTWJYAAQJB-UHFFFAOYSA-N -1 3 191.190 1.070 10 0 ADAEHM CCc1cccc(F)c1[C@H](N)C(=O)[O-] 104487289 574005028 /nfs/dbraw/zinc/00/50/28/574005028.db2.gz QITCAUAWLWGPOB-VIFPVBQESA-N -1 3 197.209 1.473 10 0 ADAEHM Cc1cc(F)cc([C@](C)(N)C(=O)[O-])c1 104488702 574005134 /nfs/dbraw/zinc/00/51/34/574005134.db2.gz PMHMEOWXLWDLQV-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM N[C@@H](CC(=O)[O-])c1cc(O)ccc1F 104487658 574005355 /nfs/dbraw/zinc/00/53/55/574005355.db2.gz SYNJIUYBCFNYAV-QMMMGPOBSA-N -1 3 199.181 1.006 10 0 ADAEHM C[C@H](C(=O)[O-])[C@H]1NCCc2occc21 74245205 574006873 /nfs/dbraw/zinc/00/68/73/574006873.db2.gz MBBFNZSVOBHWGO-IMTBSYHQSA-N -1 3 195.218 1.187 10 0 ADAEHM Cc1cc2c(o1)C[C@@H](C)N[C@H]2C(=O)[O-] 74245049 574007070 /nfs/dbraw/zinc/00/70/70/574007070.db2.gz TYRJJUOEJXOBQM-MLUIRONXSA-N -1 3 195.218 1.248 10 0 ADAEHM CC1=CC[C@H]2C(=O)C=C([O-])[C@H]2C1 238239487 574007177 /nfs/dbraw/zinc/00/71/77/574007177.db2.gz HUNIRQRYEQGOSJ-SFYZADRCSA-N -1 3 164.204 1.501 10 0 ADAEHM Cc1cccc(F)c1[C@@](C)(N)C(=O)[O-] 104493541 574007451 /nfs/dbraw/zinc/00/74/51/574007451.db2.gz RLKAHFCPEPHROA-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM [O-]c1cc([C@H]2COCCN2)ccc1F 104493557 574007483 /nfs/dbraw/zinc/00/74/83/574007483.db2.gz OPNHIPWQGIBQJI-SECBINFHSA-N -1 3 197.209 1.192 10 0 ADAEHM Cc1cc(F)ccc1[C@@](C)(N)C(=O)[O-] 104492057 574009194 /nfs/dbraw/zinc/00/91/94/574009194.db2.gz WKGFQCSBOTXJTB-SNVBAGLBSA-N -1 3 197.209 1.393 10 0 ADAEHM CC1(C)C(=O)C=C([O-])C1(C)C 111349513 574009251 /nfs/dbraw/zinc/00/92/51/574009251.db2.gz CKYSLAMKRDMWRO-UHFFFAOYSA-N -1 3 154.209 1.581 10 0 ADAEHM Cc1cc(Cl)ccc1[C@@H](N)C(=O)[O-] 104492635 574009563 /nfs/dbraw/zinc/00/95/63/574009563.db2.gz ICOCVWCRIQFZGZ-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM Cc1ccc([C@@H](N)C(=O)[O-])cc1Cl 104493990 574009684 /nfs/dbraw/zinc/00/96/84/574009684.db2.gz FOLAWNHKMAFBKP-MRVPVSSYSA-N -1 3 199.637 1.733 10 0 ADAEHM C=Cc1cccc([C@@](C)(N)C(=O)[O-])c1 104493310 574010836 /nfs/dbraw/zinc/01/08/36/574010836.db2.gz YDPWJCKGPAUCDQ-LLVKDONJSA-N -1 3 191.230 1.588 10 0 ADAEHM CCC[C@H]1CCC(=O)C=C1[O-] 111334405 574010880 /nfs/dbraw/zinc/01/08/80/574010880.db2.gz WWLVJBISOZBFCG-ZETCQYMHSA-N -1 3 154.209 1.725 10 0 ADAEHM CCC[C@H]1CCC([O-])=CC1=O 111334405 574010884 /nfs/dbraw/zinc/01/08/84/574010884.db2.gz WWLVJBISOZBFCG-ZETCQYMHSA-N -1 3 154.209 1.725 10 0 ADAEHM C=Cc1cccc([C@](C)(N)C(=O)[O-])c1 104493314 574010905 /nfs/dbraw/zinc/01/09/05/574010905.db2.gz YDPWJCKGPAUCDQ-NSHDSACASA-N -1 3 191.230 1.588 10 0 ADAEHM [O-]c1cc([C@@H]2COCCN2)ccc1F 104493551 574011143 /nfs/dbraw/zinc/01/11/43/574011143.db2.gz OPNHIPWQGIBQJI-VIFPVBQESA-N -1 3 197.209 1.192 10 0 ADAEHM C=Cc1ccccc1[C@](C)(N)C(=O)[O-] 104491964 574011223 /nfs/dbraw/zinc/01/12/23/574011223.db2.gz NAYGWDGJIAALEW-NSHDSACASA-N -1 3 191.230 1.588 10 0 ADAEHM CC1(C)CC(C)(C)C([O-])=CC1=O 111346195 574011656 /nfs/dbraw/zinc/01/16/56/574011656.db2.gz DBUURPWRHIGNLN-UHFFFAOYSA-N -1 3 168.236 1.971 10 0 ADAEHM CCc1cc(F)ccc1[C@@H](N)C(=O)[O-] 104496255 574011935 /nfs/dbraw/zinc/01/19/35/574011935.db2.gz RPGZQWNFEWMVSE-SECBINFHSA-N -1 3 197.209 1.473 10 0 ADAEHM Cc1nc([C@@H](N)CC(=O)[O-])ccc1F 104496394 574012228 /nfs/dbraw/zinc/01/22/28/574012228.db2.gz PUESHZKDJKIVLD-ZETCQYMHSA-N -1 3 198.197 1.004 10 0 ADAEHM Cc1ccc([C@](C)(N)C(=O)[O-])c(F)c1 104494901 574014379 /nfs/dbraw/zinc/01/43/79/574014379.db2.gz LAFJSXGWSJOBSG-JTQLQIEISA-N -1 3 197.209 1.393 10 0 ADAEHM CCc1c(F)cccc1[C@@H](N)C(=O)[O-] 104497342 574014428 /nfs/dbraw/zinc/01/44/28/574014428.db2.gz PHAVSIKLATXDLR-SECBINFHSA-N -1 3 197.209 1.473 10 0 ADAEHM [O-]c1cc(F)cc([C@H]2COCCN2)c1 104494895 574014441 /nfs/dbraw/zinc/01/44/41/574014441.db2.gz IBLHZGPWHRQBEF-SNVBAGLBSA-N -1 3 197.209 1.192 10 0 ADAEHM CCc1ccc(F)cc1[C@H](N)C(=O)[O-] 104496236 574014491 /nfs/dbraw/zinc/01/44/91/574014491.db2.gz AXPGDWVPVGYAJD-VIFPVBQESA-N -1 3 197.209 1.473 10 0 ADAEHM Cc1cccc2c1CC[C@@]2(N)C(=O)[O-] 104502653 574016385 /nfs/dbraw/zinc/01/63/85/574016385.db2.gz PKWJHWQIUVBFLO-NSHDSACASA-N -1 3 191.230 1.180 10 0 ADAEHM Cc1ccc([C@](C)(N)C(=O)[O-])s1 104502236 574016437 /nfs/dbraw/zinc/01/64/37/574016437.db2.gz ASNUXOWZPQLDAW-QMMMGPOBSA-N -1 3 185.248 1.315 10 0 ADAEHM CN(C)CC(=O)c1ccc(F)cc1[O-] 104502727 574016882 /nfs/dbraw/zinc/01/68/82/574016882.db2.gz ZXBSLHHNMQIPDW-UHFFFAOYSA-N -1 3 197.209 1.276 10 0 ADAEHM Cc1ccc2c(c1)CC[C@@]2(N)C(=O)[O-] 104502645 574016944 /nfs/dbraw/zinc/01/69/44/574016944.db2.gz WUXNFUYQZRUKPR-NSHDSACASA-N -1 3 191.230 1.180 10 0 ADAEHM CSc1nc(=O)c2ncsc2[n-]1 104500037 574016972 /nfs/dbraw/zinc/01/69/72/574016972.db2.gz HMBZKTWRJOCZFR-UHFFFAOYSA-N -1 3 199.260 1.514 10 0 ADAEHM Cc1nc([C@H](N)CC(=O)[O-])ccc1F 104501864 574017868 /nfs/dbraw/zinc/01/78/68/574017868.db2.gz PUESHZKDJKIVLD-SSDOTTSWSA-N -1 3 198.197 1.004 10 0 ADAEHM O=c1ccnc([C@@H]2CCCS2)[n-]1 87700658 574018060 /nfs/dbraw/zinc/01/80/60/574018060.db2.gz QLAJTBZTTZIDDF-LURJTMIESA-N -1 3 182.248 1.338 10 0 ADAEHM CC(=O)[C@@H](N)c1ccc([O-])c(Cl)c1 104504206 574019746 /nfs/dbraw/zinc/01/97/46/574019746.db2.gz KERNTZBWYHDPPZ-SECBINFHSA-N -1 3 199.637 1.634 10 0 ADAEHM CC(=O)[C@H](N)c1ccc([O-])c(Cl)c1 104504202 574019795 /nfs/dbraw/zinc/01/97/95/574019795.db2.gz KERNTZBWYHDPPZ-VIFPVBQESA-N -1 3 199.637 1.634 10 0 ADAEHM CC[C@H](N)c1ccc(C(=O)[O-])o1 104509857 574021858 /nfs/dbraw/zinc/02/18/58/574021858.db2.gz JTXKAXHLTJKCCD-YFKPBYRVSA-N -1 3 169.180 1.388 10 0 ADAEHM COc1ccc([O-])c(F)c1C=O 104511991 574022691 /nfs/dbraw/zinc/02/26/91/574022691.db2.gz XHEFFJOVSKZULK-UHFFFAOYSA-N -1 3 170.139 1.352 10 0 ADAEHM N[C@@H]1CCc2c(F)cc([O-])c(F)c21 104513067 574022752 /nfs/dbraw/zinc/02/27/52/574022752.db2.gz JHXROTXJAKYQDQ-ZCFIWIBFSA-N -1 3 185.173 1.616 10 0 ADAEHM N[C@@H](c1ccc(C(=O)[O-])o1)C1CC1 104519015 574025172 /nfs/dbraw/zinc/02/51/72/574025172.db2.gz IVLLCEVDBRHTRA-MRVPVSSYSA-N -1 3 181.191 1.388 10 0 ADAEHM CC(C)[C@@H](N)c1cc(C(=O)[O-])ccn1 104522390 574025178 /nfs/dbraw/zinc/02/51/78/574025178.db2.gz DQJSCXWIANQBIJ-SECBINFHSA-N -1 3 194.234 1.436 10 0 ADAEHM O=c1cc(Cc2ccc(F)cc2)[n-][nH]1 104522688 574025283 /nfs/dbraw/zinc/02/52/83/574025283.db2.gz ZPBIUWNOCXCJQT-UHFFFAOYSA-N -1 3 192.193 1.845 10 0 ADAEHM N[C@H](c1cncc([O-])c1)C(F)(F)F 104523082 574025545 /nfs/dbraw/zinc/02/55/45/574025545.db2.gz LYSJFDJMKWQDGJ-ZCFIWIBFSA-N -1 3 192.140 1.349 10 0 ADAEHM N[C@H](c1ccc([O-])cn1)C(F)(F)F 104521849 574025618 /nfs/dbraw/zinc/02/56/18/574025618.db2.gz ZQQLHDWUJKWGKW-ZCFIWIBFSA-N -1 3 192.140 1.349 10 0 ADAEHM Cc1ccccc1[C@H](N)/C=C/C(=O)[O-] 259284767 574029558 /nfs/dbraw/zinc/02/95/58/574029558.db2.gz HNBDUGLYRAYAKP-VQCYPWCPSA-N -1 3 191.230 1.636 10 0 ADAEHM CN[C@H](Sc1ccccc1)C(=O)[O-] 259285154 574029608 /nfs/dbraw/zinc/02/96/08/574029608.db2.gz SDWRLMKHFFIANF-MRVPVSSYSA-N -1 3 197.259 1.409 10 0 ADAEHM CCSc1nc(=O)[n-]c(C)c1C 143807161 574032073 /nfs/dbraw/zinc/03/20/73/574032073.db2.gz MUUAAWPQPQQZCH-UHFFFAOYSA-N -1 3 184.264 1.499 10 0 ADAEHM [O-]c1c[nH]c2nc3ccccc3cc12 143836406 574032332 /nfs/dbraw/zinc/03/23/32/574032332.db2.gz OLXIFOLYOLHGDF-UHFFFAOYSA-N -1 3 184.198 1.843 10 0 ADAEHM Cc1sc(C(=O)[O-])cc1CN(C)C 87794335 574036754 /nfs/dbraw/zinc/03/67/54/574036754.db2.gz ZIURGTFOAKAHBA-UHFFFAOYSA-N -1 3 199.275 1.816 10 0 ADAEHM Cc1ccc(F)c([O-])c1CCCO 113190451 574047924 /nfs/dbraw/zinc/04/79/24/574047924.db2.gz WIIYAZNUWYWZRV-UHFFFAOYSA-N -1 3 184.210 1.765 10 0 ADAEHM CCCSc1ccnc(=NN)[n-]1 87889925 574047938 /nfs/dbraw/zinc/04/79/38/574047938.db2.gz AXDUZFPTKWJFGK-UHFFFAOYSA-N -1 3 184.268 1.264 10 0 ADAEHM CC(C)Sc1ccnc(=NN)[n-]1 87892102 574048047 /nfs/dbraw/zinc/04/80/47/574048047.db2.gz QXYKCLSRRYRRMH-UHFFFAOYSA-N -1 3 184.268 1.263 10 0 ADAEHM CC(C)[C@H](C)Oc1cc[n-]c(=NN)n1 87892664 574048093 /nfs/dbraw/zinc/04/80/93/574048093.db2.gz RNLKCOMVPNKUSF-ZETCQYMHSA-N -1 3 196.254 1.186 10 0 ADAEHM CC(C)CSc1ccnc(=NN)[n-]1 87889293 574048153 /nfs/dbraw/zinc/04/81/53/574048153.db2.gz LCAQDQSWSXVAJL-UHFFFAOYSA-N -1 3 198.295 1.510 10 0 ADAEHM CC(C)(C)Sc1ccnc(=NN)[n-]1 87889838 574048169 /nfs/dbraw/zinc/04/81/69/574048169.db2.gz QCMLZULZSGNGGU-UHFFFAOYSA-N -1 3 198.295 1.653 10 0 ADAEHM [O-]c1ccc(-c2ccnnc2)c(F)c1 1206064713 762047961 /nfs/dbraw/zinc/04/79/61/762047961.db2.gz OGELKLVGMADXRE-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM C[C@@H](N)C(=O)Nc1ccccc1[S-] 1218830689 763976874 /nfs/dbraw/zinc/97/68/74/763976874.db2.gz KHXPOAKEXXGWJA-ZCFIWIBFSA-N -1 3 196.275 1.261 10 0 ADAEHM Cc1c(OC(C)C)nc[n-]c1=O 1226071542 764339185 /nfs/dbraw/zinc/33/91/85/764339185.db2.gz RPIHALWJUOUUFD-UHFFFAOYSA-N -1 3 168.196 1.278 10 0 ADAEHM CN(C)Cc1cccc([O-])c1F 1233049196 764560061 /nfs/dbraw/zinc/56/00/61/764560061.db2.gz JWTWRHDGTRXJEF-UHFFFAOYSA-N -1 3 169.199 1.593 10 0 ADAEHM Cc1n[nH]cc1-c1ccc(=S)[n-]n1 1240519355 764858208 /nfs/dbraw/zinc/85/82/08/764858208.db2.gz PEPDTBFDXDSGIJ-UHFFFAOYSA-N -1 3 192.247 1.464 10 0 ADAEHM [O-]c1ccc(-c2ccnnc2)cc1F 1240786385 764880244 /nfs/dbraw/zinc/88/02/44/764880244.db2.gz JYSGMJBPGMTVCG-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM [O-]c1cc(F)cc(-c2ccnnc2)c1 1241271206 764963298 /nfs/dbraw/zinc/96/32/98/764963298.db2.gz MSNHDCWFIUWKKX-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM S=c1ccc(-c2ccnnc2)n[n-]1 1242047460 765009398 /nfs/dbraw/zinc/00/93/98/765009398.db2.gz OORYICUUTWVAKX-UHFFFAOYSA-N -1 3 190.231 1.222 10 0 ADAEHM [O-]c1cccc(-c2ccnnc2)c1F 1243546500 765081853 /nfs/dbraw/zinc/08/18/53/765081853.db2.gz IBWAJGDUOXQIFB-UHFFFAOYSA-N -1 3 190.177 1.988 10 0 ADAEHM CC[C@@H](C)CN(C)[C@@H](C)c1nnn[n-]1 95274686 1424338504 /nfs/dbraw/zinc/33/85/04/1424338504.db2.gz JMWPOHFDBGIPIR-SFYZADRCSA-N -1 3 197.286 1.239 10 0 ADAEHM COCCc1ccc(F)c([O-])c1 1249937738 765389455 /nfs/dbraw/zinc/38/94/55/765389455.db2.gz DHQVMELWJFQXTO-UHFFFAOYSA-N -1 3 170.183 1.720 10 0 ADAEHM CC[C@H](C)CN(C)[C@@H](C)c1nnn[n-]1 95274687 1424550089 /nfs/dbraw/zinc/55/00/89/1424550089.db2.gz JMWPOHFDBGIPIR-YUMQZZPRSA-N -1 3 197.286 1.239 10 0 ADAEHM CC(C)C[C@@H](C)N(C)Cc1nn[n-]n1 95241740 1424957092 /nfs/dbraw/zinc/95/70/92/1424957092.db2.gz PJYYYVCNSYBQNJ-MRVPVSSYSA-N -1 3 197.286 1.066 10 0 ADAEHM CC(C)C[C@@H](C)N(C)Cc1nnn[n-]1 95241740 1424957095 /nfs/dbraw/zinc/95/70/95/1424957095.db2.gz PJYYYVCNSYBQNJ-MRVPVSSYSA-N -1 3 197.286 1.066 10 0 ADAEHM CC(C)C[C@H](C)N(C)Cc1nn[n-]n1 95241741 1428395576 /nfs/dbraw/zinc/39/55/76/1428395576.db2.gz PJYYYVCNSYBQNJ-QMMMGPOBSA-N -1 3 197.286 1.066 10 0 ADAEHM CC(C)C[C@H](C)N(C)Cc1nnn[n-]1 95241741 1428395582 /nfs/dbraw/zinc/39/55/82/1428395582.db2.gz PJYYYVCNSYBQNJ-QMMMGPOBSA-N -1 3 197.286 1.066 10 0 ADAEHM [O-]c1cc(O)cc2cccc(O)c12 895520 560178798 /nfs/dbraw/zinc/17/87/98/560178798.db2.gz USWUTUCXLQBQCG-UHFFFAOYSA-N -1 3 176.171 1.957 10 0 biogenic,in-vitro ADAEHM CCCC(=O)[N-]C(=O)c1ccccc1 1594314 560182754 /nfs/dbraw/zinc/18/27/54/560182754.db2.gz IZASOBLABHUGCO-UHFFFAOYSA-N -1 3 191.230 1.743 10 0 in-vitro ADAEHM C[C@@H]1CC(=O)c2c([O-])cccc2[C@@H]1O 4654690 560198911 /nfs/dbraw/zinc/19/89/11/560198911.db2.gz YUPNHTWYVBHLMG-KSBSHMNSSA-N -1 3 192.214 1.648 10 0 biogenic,in-vitro ADAEHM CC[C@@]1(C)C[N-]C(=S)O1 15205216 560229196 /nfs/dbraw/zinc/22/91/96/560229196.db2.gz GMDUYWRBDHXKMS-LURJTMIESA-N -1 3 145.227 1.060 10 0 biogenic,in-vitro ADAEHM