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-])[C@H]1C[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001595203340 952319502 /nfs/dbraw/zinc/31/95/02/952319502.db2.gz VNPIUOCWHMACHS-IZLXSQMJSA-N -1 0 338.669 3.542 20 5 EHBDRM O=C(NCC1(c2ccccc2)CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000537989973 1032067211 /nfs/dbraw/zinc/06/72/11/1032067211.db2.gz JCFVNYLZVZMJHH-UHFFFAOYSA-N -1 0 340.379 3.542 20 5 EHBDRM O=C([O-])c1sc(Oc2cc(Cl)ccc2[N+](=O)[O-])nc1Cl ZINC000149702104 959022118 /nfs/dbraw/zinc/02/21/18/959022118.db2.gz AFKCIPKSFXDNPA-UHFFFAOYSA-N -1 0 335.124 3.849 20 5 EHBDRM O=C([O-])c1cnc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000162309575 959209565 /nfs/dbraw/zinc/20/95/65/959209565.db2.gz CPWFVHOPUUFGRB-UHFFFAOYSA-N -1 0 329.095 3.787 20 5 EHBDRM C[C@H](CC(=O)[O-])Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001331436563 961374414 /nfs/dbraw/zinc/37/44/14/961374414.db2.gz XXJITCSRCZBCTI-RXMQYKEDSA-N -1 0 326.658 3.542 20 5 EHBDRM Cc1oc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(=O)[O-] ZINC000565103651 974569118 /nfs/dbraw/zinc/56/91/18/974569118.db2.gz NWTWSAGWWMTATM-UHFFFAOYSA-N -1 0 332.356 3.605 20 5 EHBDRM Cc1cc(NCC2(c3ccccn3)CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978444 974978649 /nfs/dbraw/zinc/97/86/49/974978649.db2.gz DZVHZAZGSWFSLU-UHFFFAOYSA-N -1 0 341.367 3.530 20 5 EHBDRM CC(C)c1ccsc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592002769 976654199 /nfs/dbraw/zinc/65/41/99/976654199.db2.gz HVPZXIPGVQHZGA-UHFFFAOYSA-N -1 0 335.337 3.697 20 5 EHBDRM Cc1nc2c(s1)[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CCC2 ZINC000844210073 979362792 /nfs/dbraw/zinc/36/27/92/979362792.db2.gz QMKHNBZUGMUCRO-ZDUSSCGKSA-N -1 0 347.396 3.856 20 5 EHBDRM Cc1cccc([C@H]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000844212157 979367876 /nfs/dbraw/zinc/36/78/76/979367876.db2.gz CJUYUTNDUWDKHM-INIZCTEOSA-N -1 0 340.379 3.524 20 5 EHBDRM C[C@@H](Cc1ccc(Nc2c(F)cc([N+](=O)[O-])cc2F)cc1)C(=O)[O-] ZINC001592883144 979757510 /nfs/dbraw/zinc/75/75/10/979757510.db2.gz NHVIJIPQFPPGMZ-VIFPVBQESA-N -1 0 336.294 3.880 20 5 EHBDRM CCC[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])OCC ZINC001595594229 981560955 /nfs/dbraw/zinc/56/09/55/981560955.db2.gz NSQZKMQLPAIIIV-SNVBAGLBSA-N -1 0 330.768 3.564 20 5 EHBDRM CCOc1cccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000917076517 982678109 /nfs/dbraw/zinc/67/81/09/982678109.db2.gz NEKGGYVOZLYJLU-VQHVLOKHSA-N -1 0 342.351 3.703 20 5 EHBDRM CCCc1ccccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001596070558 983385997 /nfs/dbraw/zinc/38/59/97/983385997.db2.gz MAXBHUBCBKRLBV-UHFFFAOYSA-N -1 0 342.351 3.806 20 5 EHBDRM CCN(C(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001596161097 983524830 /nfs/dbraw/zinc/52/48/30/983524830.db2.gz OVZYRECKHAXDCH-UHFFFAOYSA-N -1 0 342.351 3.577 20 5 EHBDRM CSc1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001599820568 988506319 /nfs/dbraw/zinc/50/63/19/988506319.db2.gz BRKAMMYFFAKCOO-UHFFFAOYSA-N -1 0 332.381 3.670 20 5 EHBDRM CC(C)(C)c1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC001590494146 990099822 /nfs/dbraw/zinc/09/98/22/990099822.db2.gz UVNPTNSGPLSPGL-UHFFFAOYSA-N -1 0 333.319 3.868 20 5 EHBDRM CC(C)[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001591096506 991688834 /nfs/dbraw/zinc/68/88/34/991688834.db2.gz GXXZMTMRSUHGLJ-ZDUSSCGKSA-N -1 0 327.340 3.579 20 5 EHBDRM CC(C)C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC001591191173 992000579 /nfs/dbraw/zinc/00/05/79/992000579.db2.gz RFDMHSHDIXVLGK-LLVKDONJSA-N -1 0 326.399 3.796 20 5 EHBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591600061 992827830 /nfs/dbraw/zinc/82/78/30/992827830.db2.gz BBRQFEIBHSXWJY-LLVKDONJSA-N -1 0 349.412 3.721 20 5 EHBDRM COc1cc(C)cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599391906 997052983 /nfs/dbraw/zinc/05/29/83/997052983.db2.gz FZCKLLUCFSNING-GQCTYLIASA-N -1 0 342.351 3.622 20 5 EHBDRM COCc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001599296926 997161083 /nfs/dbraw/zinc/16/10/83/997161083.db2.gz CUDNLOLWFXJPAA-SOFGYWHQSA-N -1 0 328.324 3.583 20 5 EHBDRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1F ZINC001599399035 997181505 /nfs/dbraw/zinc/18/15/05/997181505.db2.gz BCMDXBAQRGGEGZ-XVNBXDOJSA-N -1 0 333.271 3.633 20 5 EHBDRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1F ZINC001599399034 997181571 /nfs/dbraw/zinc/18/15/71/997181571.db2.gz BCMDXBAQRGGEGZ-CLTKARDFSA-N -1 0 333.271 3.633 20 5 EHBDRM CC1(c2ccccc2)CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001594079040 997960796 /nfs/dbraw/zinc/96/07/96/997960796.db2.gz HMTBRMLBRGAYOE-UHFFFAOYSA-N -1 0 346.770 3.724 20 5 EHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1CCc1ccccc1 ZINC000178092014 1016518536 /nfs/dbraw/zinc/51/85/36/1016518536.db2.gz BVKDFVWTBSEJQC-OAHLLOKOSA-N -1 0 340.379 3.538 20 5 EHBDRM CC[C@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179427962 1016868364 /nfs/dbraw/zinc/86/83/64/1016868364.db2.gz BRACHYXMKMIJIV-ZDUSSCGKSA-N -1 0 332.381 3.512 20 5 EHBDRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179414489 1016869020 /nfs/dbraw/zinc/86/90/20/1016869020.db2.gz GNSHALSRQAKZNO-NSHDSACASA-N -1 0 340.335 3.880 20 5 EHBDRM Cn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1-c1ccccc1 ZINC000760198182 1032201859 /nfs/dbraw/zinc/20/18/59/1032201859.db2.gz VIEOYWRFAZHKDA-UHFFFAOYSA-N -1 0 337.335 3.558 20 5 EHBDRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187342405 1018677834 /nfs/dbraw/zinc/67/78/34/1018677834.db2.gz BYUGUEJWKQOBNJ-OAHLLOKOSA-N -1 0 342.395 3.702 20 5 EHBDRM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119292544 1019909491 /nfs/dbraw/zinc/90/94/91/1019909491.db2.gz QCUBQSHOPCEZRG-UHFFFAOYSA-N -1 0 341.348 3.676 20 5 EHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1CC1CCCCC1 ZINC000436883848 1021334808 /nfs/dbraw/zinc/33/48/08/1021334808.db2.gz IRPJYFXCWWKCKS-CQSZACIVSA-N -1 0 332.400 3.875 20 5 EHBDRM C[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1c[nH]c2ccccc21 ZINC000427470015 1021416848 /nfs/dbraw/zinc/41/68/48/1021416848.db2.gz PLAXEBVJHXHHPZ-LLVKDONJSA-N -1 0 339.351 3.914 20 5 EHBDRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436954049 1021419604 /nfs/dbraw/zinc/41/96/04/1021419604.db2.gz DLSSWJGLLZOZRJ-CYBMUJFWSA-N -1 0 328.368 3.750 20 5 EHBDRM CCCn1ccc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000436960256 1021422612 /nfs/dbraw/zinc/42/26/12/1021422612.db2.gz GKGTXECLMHQUQF-UHFFFAOYSA-N -1 0 339.351 3.917 20 5 EHBDRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436995851 1021452557 /nfs/dbraw/zinc/45/25/57/1021452557.db2.gz FKLAVSCYDIRAMA-LLVKDONJSA-N -1 0 330.340 3.730 20 5 EHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000506583304 1021453137 /nfs/dbraw/zinc/45/31/37/1021453137.db2.gz BIIPEDBICVGRFR-UHFFFAOYSA-N -1 0 334.378 3.610 20 5 EHBDRM CC(C)c1scnc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000517206908 1022132782 /nfs/dbraw/zinc/13/27/82/1022132782.db2.gz KZLOEMZBQGYDMX-UHFFFAOYSA-N -1 0 341.776 3.786 20 5 EHBDRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000060692073 1022239346 /nfs/dbraw/zinc/23/93/46/1022239346.db2.gz PXGGVKBCXCVKCY-GFCCVEGCSA-N -1 0 344.367 3.579 20 5 EHBDRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184653892 1023291016 /nfs/dbraw/zinc/29/10/16/1023291016.db2.gz WVUTZPUWWOQAKG-CYBMUJFWSA-N -1 0 332.381 3.512 20 5 EHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000341803306 1023348134 /nfs/dbraw/zinc/34/81/34/1023348134.db2.gz HVXCEKRMKVBLCR-ZDUSSCGKSA-N -1 0 332.743 3.541 20 5 EHBDRM CCSc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000508445034 1025710940 /nfs/dbraw/zinc/71/09/40/1025710940.db2.gz ZEULZEWFYBFOHC-NSHDSACASA-N -1 0 346.408 3.903 20 5 EHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000436570092 1025901978 /nfs/dbraw/zinc/90/19/78/1025901978.db2.gz MNXIKEBNYXETRK-ZDUSSCGKSA-N -1 0 332.743 3.541 20 5 EHBDRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436634704 1025964293 /nfs/dbraw/zinc/96/42/93/1025964293.db2.gz IIYVCJJPBNAYFL-ZDUSSCGKSA-N -1 0 344.367 3.645 20 5 EHBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000436662509 1026000735 /nfs/dbraw/zinc/00/07/35/1026000735.db2.gz IYKYMLBUZOCQSN-ZDUSSCGKSA-N -1 0 332.400 3.733 20 5 EHBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000323910680 1027640759 /nfs/dbraw/zinc/64/07/59/1027640759.db2.gz RTFXIZCYHKFSCS-UHFFFAOYSA-N -1 0 340.257 3.924 20 5 EHBDRM O=[N+]([O-])c1cccc(CCc2nc(-c3ccc(O)cc3Cl)no2)c1 ZINC000445444391 1028800454 /nfs/dbraw/zinc/80/04/54/1028800454.db2.gz FLQSQPMYUNDMJP-UHFFFAOYSA-N -1 0 345.742 3.789 20 5 EHBDRM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186726146 1028856530 /nfs/dbraw/zinc/85/65/30/1028856530.db2.gz BARAKBYNMVMYFT-UHFFFAOYSA-N -1 0 329.337 3.872 20 5 EHBDRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000422068302 1029056365 /nfs/dbraw/zinc/05/63/65/1029056365.db2.gz OSHVGBPJNNLGNJ-OAHLLOKOSA-N -1 0 340.379 3.709 20 5 EHBDRM O=C([O-])c1cc([N+](=O)[O-])ncc1-c1ccc(OC2CCCC2)cc1 ZINC000566495496 1029675145 /nfs/dbraw/zinc/67/51/45/1029675145.db2.gz XSAHAKRRMKZVIG-UHFFFAOYSA-N -1 0 328.324 3.676 20 5 EHBDRM Cc1cc(OC(C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000532030037 1030321838 /nfs/dbraw/zinc/32/18/38/1030321838.db2.gz LCISTQPECWNUNF-UHFFFAOYSA-N -1 0 330.340 3.648 20 5 EHBDRM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000447858126 1030549813 /nfs/dbraw/zinc/54/98/13/1030549813.db2.gz HZWMVTXTNTXBLR-QGZVFWFLSA-N -1 0 346.358 3.909 20 5 EHBDRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483444069 1031173330 /nfs/dbraw/zinc/17/33/30/1031173330.db2.gz MYWPHMYEIPGVSZ-SNVBAGLBSA-N -1 0 334.759 3.771 20 5 EHBDRM Cc1cc(OCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1C(C)C ZINC000483444949 1031176702 /nfs/dbraw/zinc/17/67/02/1031176702.db2.gz OPNIFDYADRWWMM-UHFFFAOYSA-N -1 0 344.367 3.750 20 5 EHBDRM Cc1csc(C)c1S(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000903618856 1031452531 /nfs/dbraw/zinc/45/25/31/1031452531.db2.gz RIBCQXHETBGRNT-UHFFFAOYSA-N -1 0 340.426 3.691 20 5 EHBDRM CC(C)(C)Oc1cc(NC[C@@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000594736792 1033510401 /nfs/dbraw/zinc/51/04/01/1033510401.db2.gz VFTARBOVQBFVAT-GFCCVEGCSA-N -1 0 336.388 3.685 20 5 EHBDRM O=C(NCc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000603508250 1033712121 /nfs/dbraw/zinc/71/21/21/1033712121.db2.gz YSLPAEIAEPXMRZ-UHFFFAOYSA-N -1 0 341.150 3.537 20 5 EHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000534054738 1034077946 /nfs/dbraw/zinc/07/79/46/1034077946.db2.gz NKQXBFNOTIOFFH-STQMWFEESA-N -1 0 332.743 3.696 20 5 EHBDRM CCCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000604553507 1034411369 /nfs/dbraw/zinc/41/13/69/1034411369.db2.gz OLVFHQBPPQFCOP-VMPITWQZSA-N -1 0 328.324 3.647 20 5 EHBDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000463472624 1035541920 /nfs/dbraw/zinc/54/19/20/1035541920.db2.gz WYXKYYGJKKKWSI-NSHDSACASA-N -1 0 349.412 3.613 20 5 EHBDRM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000571912994 1035783332 /nfs/dbraw/zinc/78/33/32/1035783332.db2.gz KPAUJHDSVRHUQZ-HAQNSBGRSA-N -1 0 346.770 3.630 20 5 EHBDRM O=C(NCc1cccc(Cl)c1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573346684 1037453906 /nfs/dbraw/zinc/45/39/06/1037453906.db2.gz JCTUJOODVYAHDM-UHFFFAOYSA-N -1 0 341.150 3.537 20 5 EHBDRM Cc1ccc(-c2ncco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000378602152 1038753961 /nfs/dbraw/zinc/75/39/61/1038753961.db2.gz WKBFWQPKTPSICG-UHFFFAOYSA-N -1 0 339.307 3.516 20 5 EHBDRM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1-c1ccncc1 ZINC000552899381 1039616940 /nfs/dbraw/zinc/61/69/40/1039616940.db2.gz GFQRNWDAVVFWPM-UHFFFAOYSA-N -1 0 349.346 3.923 20 5 EHBDRM COc1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000417615095 1040086978 /nfs/dbraw/zinc/08/69/78/1040086978.db2.gz WPFZUOARTXANCS-LBPRGKRZSA-N -1 0 344.367 3.794 20 5 EHBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1-c1ccncc1 ZINC000436871150 1040310765 /nfs/dbraw/zinc/31/07/65/1040310765.db2.gz PWGZWPKPMIKLPU-UHFFFAOYSA-N -1 0 349.346 3.923 20 5 EHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000092545998 1040361062 /nfs/dbraw/zinc/36/10/62/1040361062.db2.gz FIEHZFMCVCHOIJ-IUCAKERBSA-N -1 0 332.278 3.608 20 5 EHBDRM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000490203714 1040386787 /nfs/dbraw/zinc/38/67/87/1040386787.db2.gz PIXAQVSAIYALBY-ZBFHGGJFSA-N -1 0 340.379 3.757 20 5 EHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2ccccc2F)CC1 ZINC000555364550 1040481594 /nfs/dbraw/zinc/48/15/94/1040481594.db2.gz MNHXGALXGMCWSU-UHFFFAOYSA-N -1 0 330.359 3.819 20 5 EHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)(F)F)s1 ZINC000586801849 1041010360 /nfs/dbraw/zinc/01/03/60/1041010360.db2.gz SFHYOMZNLPFCFA-UHFFFAOYSA-N -1 0 332.259 3.633 20 5 EHBDRM C[C@H]1C[C@@]1(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000500418009 1041416312 /nfs/dbraw/zinc/41/63/12/1041416312.db2.gz XBZINXDUIIPRRX-GTNSWQLSSA-N -1 0 332.787 3.979 20 5 EHBDRM COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1O ZINC000344894819 1044668805 /nfs/dbraw/zinc/66/88/05/1044668805.db2.gz CBYXGHVKVOIHGT-UHFFFAOYSA-N -1 0 336.731 3.523 20 5 EHBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000734415207 1131235600 /nfs/dbraw/zinc/23/56/00/1131235600.db2.gz WDAFDSPPJVRXAJ-UHFFFAOYSA-N -1 0 342.376 3.857 20 5 EHBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139537062 1126777584 /nfs/dbraw/zinc/77/75/84/1126777584.db2.gz RIDJIXVBJDXGEP-UHFFFAOYSA-N -1 0 349.755 3.930 20 5 EHBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(C(C)(C)C)cc1 ZINC000765474006 1127617314 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341.411 3.533 20 5 EHBDRM Nc1cc2nc3ccccc3nc2cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954045 1132517731 /nfs/dbraw/zinc/51/77/31/1132517731.db2.gz YDHUHWKPHXKABA-UHFFFAOYSA-N -1 0 344.374 3.736 20 5 EHBDRM COc1ccc2cc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])ccc2c1 ZINC000804309963 1132677450 /nfs/dbraw/zinc/67/74/50/1132677450.db2.gz DKKNCQSVXHIXEP-UHFFFAOYSA-N -1 0 338.319 3.715 20 5 EHBDRM CC1(C)Oc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2O1 ZINC001176677139 1132981524 /nfs/dbraw/zinc/98/15/24/1132981524.db2.gz NSPFBCWUXCFPTJ-UHFFFAOYSA-N -1 0 330.296 3.544 20 5 EHBDRM O=[N+]([O-])c1ccc([O-])cc1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000772806244 1134731916 /nfs/dbraw/zinc/73/19/16/1134731916.db2.gz LTEIGTKECLQLEE-FNORWQNLSA-N -1 0 337.291 3.927 20 5 EHBDRM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC001130960080 1135546386 /nfs/dbraw/zinc/54/63/86/1135546386.db2.gz RAQNRHPQPBITDJ-UHFFFAOYSA-N -1 0 343.726 3.754 20 5 EHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(Cl)nc2ccccc21 ZINC000776200053 1136051145 /nfs/dbraw/zinc/05/11/45/1136051145.db2.gz OFQILFZODFWLPK-UHFFFAOYSA-N -1 0 343.726 3.754 20 5 EHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000217210232 1136506843 /nfs/dbraw/zinc/50/68/43/1136506843.db2.gz LCGOGTRPRSGRDW-UHFFFAOYSA-N -1 0 340.788 3.666 20 5 EHBDRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001135248166 1136644645 /nfs/dbraw/zinc/64/46/45/1136644645.db2.gz CGQSKBCFDZCMQP-UHFFFAOYSA-N -1 0 342.395 3.870 20 5 EHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000218266231 1136777632 /nfs/dbraw/zinc/77/76/32/1136777632.db2.gz NBJNSRYFAKOFGN-UHFFFAOYSA-N -1 0 340.788 3.666 20 5 EHBDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(C)c1[N+](=O)[O-] ZINC000857251424 1136857358 /nfs/dbraw/zinc/85/73/58/1136857358.db2.gz AHNQCHQNYKBKIF-UHFFFAOYSA-N -1 0 349.412 3.531 20 5 EHBDRM C[C@@H]1[C@H](c2ccccc2)CCN1c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844210603 1137204439 /nfs/dbraw/zinc/20/44/39/1137204439.db2.gz 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C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000736699676 600056570 /nfs/dbraw/zinc/05/65/70/600056570.db2.gz UBXOIMVHSCVPPA-SNVBAGLBSA-N -1 0 330.296 3.603 20 5 EHBDRM CCSc1ccccc1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737229533 600210544 /nfs/dbraw/zinc/21/05/44/600210544.db2.gz NXNBAKRQVFRZNV-UHFFFAOYSA-N -1 0 347.348 3.624 20 5 EHBDRM Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000178253669 600620915 /nfs/dbraw/zinc/62/09/15/600620915.db2.gz CZALNYPCGOQHAC-UHFFFAOYSA-N -1 0 334.715 3.507 20 5 EHBDRM O=C([O-])c1cccc(-c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000833328156 600695937 /nfs/dbraw/zinc/69/59/37/600695937.db2.gz YQTWKAQDTVUGBE-RMKNXTFCSA-N -1 0 337.291 3.513 20 5 EHBDRM Cc1c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000327126329 600880358 /nfs/dbraw/zinc/88/03/58/600880358.db2.gz FSDUKDWENRGXMB-UHFFFAOYSA-N -1 0 342.351 3.518 20 5 EHBDRM Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000237660639 601109182 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325.324 3.527 20 5 EHBDRM O=C(N[C@@H](CC1CC1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610355876 1018452830 /nfs/dbraw/zinc/45/28/30/1018452830.db2.gz FJUGCSLDHJQVBJ-HNNXBMFYSA-N -1 0 326.352 3.572 20 5 EHBDRM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548123047 1019794540 /nfs/dbraw/zinc/79/45/40/1019794540.db2.gz RBKCUPHHXJHCOF-UHFFFAOYSA-N -1 0 330.340 3.648 20 5 EHBDRM Cn1c2cccc(Br)c2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436770100 1021217419 /nfs/dbraw/zinc/21/74/19/1021217419.db2.gz QAPDSOGRRKCCEK-UHFFFAOYSA-N -1 0 348.156 3.617 20 5 EHBDRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436795409 1021239960 /nfs/dbraw/zinc/23/99/60/1021239960.db2.gz QWVKOIBLZZRHEQ-BDJLRTHQSA-N -1 0 344.342 3.663 20 5 EHBDRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436797829 1021241721 /nfs/dbraw/zinc/24/17/21/1021241721.db2.gz PNMRIPXWQVXWKP-MRXNPFEDSA-N -1 0 340.379 3.895 20 5 EHBDRM 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CSc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000089531701 1030833070 /nfs/dbraw/zinc/83/30/70/1030833070.db2.gz PYEYFXGYXCIHEC-UHFFFAOYSA-N -1 0 338.772 3.928 20 5 EHBDRM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476936622 1031099215 /nfs/dbraw/zinc/09/92/15/1031099215.db2.gz AJZXHTGGKQSULC-CYBMUJFWSA-N -1 0 346.305 3.541 20 5 EHBDRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000537766937 1031902271 /nfs/dbraw/zinc/90/22/71/1031902271.db2.gz MCULDHFFEHLMBC-LLVKDONJSA-N -1 0 330.340 3.730 20 5 EHBDRM CSc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000537542821 1033608378 /nfs/dbraw/zinc/60/83/78/1033608378.db2.gz JZRAJIROGOYSBR-UHFFFAOYSA-N -1 0 338.772 3.928 20 5 EHBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000595279918 1033726930 /nfs/dbraw/zinc/72/69/30/1033726930.db2.gz GGCSKZOMZQKWDZ-KGLIPLIRSA-N -1 0 338.429 3.512 20 5 EHBDRM O=C(/C=C\c1ccc2ccccc2n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000255627376 1033762056 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334.759 3.787 20 5 EHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000166191710 1042931052 /nfs/dbraw/zinc/93/10/52/1042931052.db2.gz PMNJLFWOPUXYEQ-BDAKNGLRSA-N -1 0 332.278 3.608 20 5 EHBDRM Cc1c(CSc2nc(C(F)(F)F)cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000261385532 1043422387 /nfs/dbraw/zinc/42/23/87/1043422387.db2.gz BIGGKOJUPODLIQ-UHFFFAOYSA-N -1 0 345.302 3.710 20 5 EHBDRM CC[C@H](C)Oc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000327009504 1128583799 /nfs/dbraw/zinc/58/37/99/1128583799.db2.gz XYWINLWNHGSEIR-NSHDSACASA-N -1 0 330.340 3.730 20 5 EHBDRM C[C@H](Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000917071841 1122477365 /nfs/dbraw/zinc/47/73/65/1122477365.db2.gz WPSLABSEXLRNLC-SNVBAGLBSA-N -1 0 334.759 3.990 20 5 EHBDRM CC(C)(C)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c(O)c1 ZINC000557069178 1123301250 /nfs/dbraw/zinc/30/12/50/1123301250.db2.gz WXFCMMIBDGBJCD-UHFFFAOYSA-N -1 0 330.340 3.556 20 5 EHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000195451493 1123443320 /nfs/dbraw/zinc/44/33/20/1123443320.db2.gz AYPXTMAJIBVYTO-UHFFFAOYSA-N -1 0 342.323 3.642 20 5 EHBDRM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000609806190 1123665652 /nfs/dbraw/zinc/66/56/52/1123665652.db2.gz VGELDJGJULGBQF-GOSISDBHSA-N -1 0 340.379 3.962 20 5 EHBDRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000132508008 1129904213 /nfs/dbraw/zinc/90/42/13/1129904213.db2.gz JBHJTSYRXQVGGV-OAHLLOKOSA-N -1 0 326.352 3.586 20 5 EHBDRM COc1cccc2ncc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC001174503439 1132391304 /nfs/dbraw/zinc/39/13/04/1132391304.db2.gz ABRMTTRHYHMUAE-UHFFFAOYSA-N -1 0 339.307 3.593 20 5 EHBDRM CC(=O)c1cc(Cl)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174507634 1132393445 /nfs/dbraw/zinc/39/34/45/1132393445.db2.gz PQNONXZBHYAJPC-UHFFFAOYSA-N -1 0 334.715 3.893 20 5 EHBDRM Nc1c2cccnc2c2ncccc2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953303 1132516795 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CCCn1ccc2cc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])ccc21 ZINC000539448721 1025177476 /nfs/dbraw/zinc/17/74/76/1025177476.db2.gz HCIDDQAYMXIQKP-UHFFFAOYSA-N -1 0 339.351 3.917 20 5 EHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000436600059 1025918881 /nfs/dbraw/zinc/91/88/81/1025918881.db2.gz ZNSCMRMGBUBKMG-RUMSDORHSA-N -1 0 338.363 3.618 20 5 EHBDRM CC(C)(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1O ZINC000185822583 1025947278 /nfs/dbraw/zinc/94/72/78/1025947278.db2.gz SCONBQBGHFJGLP-UHFFFAOYSA-N -1 0 330.340 3.556 20 5 EHBDRM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436637066 1025964519 /nfs/dbraw/zinc/96/45/19/1025964519.db2.gz UYXZPBAKTHCFGE-CYBMUJFWSA-N -1 0 334.759 3.835 20 5 EHBDRM C[C@@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000436645598 1025993434 /nfs/dbraw/zinc/99/34/34/1025993434.db2.gz BSFTXRRLAMVTPQ-LBPRGKRZSA-N -1 0 326.352 3.666 20 5 EHBDRM CCC1CCC(N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C2CC2)CC1 ZINC000436670411 1026012279 /nfs/dbraw/zinc/01/22/79/1026012279.db2.gz FMLYSUIGFKJGJD-UHFFFAOYSA-N -1 0 332.400 3.874 20 5 EHBDRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436703448 1026069067 /nfs/dbraw/zinc/06/90/67/1026069067.db2.gz ITYFEMVTHWCREO-LRDDRELGSA-N -1 0 326.352 3.524 20 5 EHBDRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158184911 1026082486 /nfs/dbraw/zinc/08/24/86/1026082486.db2.gz HBTWJSWCUJWVDD-UHFFFAOYSA-N -1 0 340.426 3.582 20 5 EHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC(F)(F)CC1 ZINC000186058247 1026202331 /nfs/dbraw/zinc/20/23/31/1026202331.db2.gz RYLHSESGRBVLDY-UHFFFAOYSA-N -1 0 334.706 3.718 20 5 EHBDRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000186211774 1026325355 /nfs/dbraw/zinc/32/53/55/1026325355.db2.gz DGPFVTCICCTMLO-LJQANCHMSA-N -1 0 340.379 3.538 20 5 EHBDRM CCCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc21 ZINC000439804104 1026511989 /nfs/dbraw/zinc/51/19/89/1026511989.db2.gz ZYOLAZFWYYQLSR-UHFFFAOYSA-N -1 0 339.351 3.917 20 5 EHBDRM C[C@H](c1ccccc1)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000342696325 1026749114 /nfs/dbraw/zinc/74/91/14/1026749114.db2.gz AQGZRJWDWGECAP-GFCCVEGCSA-N -1 0 326.352 3.666 20 5 EHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000548747729 1026880789 /nfs/dbraw/zinc/88/07/89/1026880789.db2.gz ADWNAVANOLMNGW-OAHLLOKOSA-N -1 0 340.379 3.710 20 5 EHBDRM O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280762812 1027222039 /nfs/dbraw/zinc/22/20/39/1027222039.db2.gz LPQAESUQVJNMSN-UHFFFAOYSA-N -1 0 342.351 3.874 20 5 EHBDRM C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cccc(Br)n1 ZINC001225622725 1027909170 /nfs/dbraw/zinc/90/91/70/1027909170.db2.gz JJDZHEHIPYWRQN-MRVPVSSYSA-N -1 0 339.145 3.598 20 5 EHBDRM CSCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000445211677 1028605591 /nfs/dbraw/zinc/60/55/91/1028605591.db2.gz RCPSSJCXXHTTOK-UHFFFAOYSA-N -1 0 343.364 3.880 20 5 EHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cnc4ccsc4c3)no2)cc1[O-] ZINC000445238143 1028645655 /nfs/dbraw/zinc/64/56/55/1028645655.db2.gz YZLZAXNEWVHVJS-UHFFFAOYSA-N -1 0 340.320 3.627 20 5 EHBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000160070978 1030523164 /nfs/dbraw/zinc/52/31/64/1030523164.db2.gz VZOWFRKNZWNNFB-LLVKDONJSA-N -1 0 332.331 3.663 20 5 EHBDRM Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])on2)cc1 ZINC000089540846 1031133921 /nfs/dbraw/zinc/13/39/21/1031133921.db2.gz CQLODTHIZJYYIH-UHFFFAOYSA-N -1 0 339.307 3.516 20 5 EHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000483435157 1031168425 /nfs/dbraw/zinc/16/84/25/1031168425.db2.gz CLMTZZGBGZXLOP-UHFFFAOYSA-N -1 0 346.770 3.915 20 5 EHBDRM Cc1ccc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)cc1C(=O)[O-] ZINC001211608402 1031568136 /nfs/dbraw/zinc/56/81/36/1031568136.db2.gz UTKKMXGSGDSCPK-UHFFFAOYSA-N -1 0 344.370 3.684 20 5 EHBDRM O=C(N[C@H](C1CCC1)C1CCCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000592881303 1033577130 /nfs/dbraw/zinc/57/71/30/1033577130.db2.gz MBOPDEDQSSYAEL-INIZCTEOSA-N -1 0 332.400 3.779 20 5 EHBDRM Cc1coc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])c2)n1 ZINC000188109729 1033844121 /nfs/dbraw/zinc/84/41/21/1033844121.db2.gz WCCGBPRHFALWMC-UHFFFAOYSA-N -1 0 339.307 3.516 20 5 EHBDRM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000597442898 1034754811 /nfs/dbraw/zinc/75/48/11/1034754811.db2.gz OTFWIBNZQZVSEW-HNNXBMFYSA-N -1 0 342.351 3.528 20 5 EHBDRM Cc1cc(F)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000612627828 1035116484 /nfs/dbraw/zinc/11/64/84/1035116484.db2.gz SXXBILXFYBHKAE-UHFFFAOYSA-N -1 0 342.685 3.793 20 5 EHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000443475203 1036067989 /nfs/dbraw/zinc/06/79/89/1036067989.db2.gz JRGRIYXLPVGUCI-UHFFFAOYSA-N -1 0 348.405 3.919 20 5 EHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2ncsc2c1 ZINC000186057152 1036590398 /nfs/dbraw/zinc/59/03/98/1036590398.db2.gz CTZPZKUZRAXPBG-UHFFFAOYSA-N -1 0 349.755 3.816 20 5 EHBDRM CC1(C)Cc2ccccc2N(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000590429932 1036882776 /nfs/dbraw/zinc/88/27/76/1036882776.db2.gz NQZAKLFICKKZAU-UHFFFAOYSA-N -1 0 326.352 3.530 20 5 EHBDRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000341210175 1037769012 /nfs/dbraw/zinc/76/90/12/1037769012.db2.gz DZYJYXDMWYMHDH-JTQLQIEISA-N -1 0 334.759 3.787 20 5 EHBDRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000103282485 1037839929 /nfs/dbraw/zinc/83/99/29/1037839929.db2.gz XGBLFCMRQIVCJO-GFCCVEGCSA-N -1 0 332.381 3.512 20 5 EHBDRM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000463261504 1037944737 /nfs/dbraw/zinc/94/47/37/1037944737.db2.gz IOJKANKYRMUGGE-ZETCQYMHSA-N -1 0 345.302 3.963 20 5 EHBDRM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)sc1Cl ZINC000190189201 1038689973 /nfs/dbraw/zinc/68/99/73/1038689973.db2.gz KSYJTJOOBIINHR-UHFFFAOYSA-N -1 0 346.817 3.727 20 5 EHBDRM CC(C)c1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000436993555 1041050110 /nfs/dbraw/zinc/05/01/10/1041050110.db2.gz DHHADTJBUWMOCW-UHFFFAOYSA-N -1 0 340.379 3.622 20 5 EHBDRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183911312 1127389140 /nfs/dbraw/zinc/38/91/40/1127389140.db2.gz BNCSDFOWTIQCFY-UHFFFAOYSA-N -1 0 349.346 3.923 20 5 EHBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000326497297 1121952718 /nfs/dbraw/zinc/95/27/18/1121952718.db2.gz ZBLWZIHRPDCGCT-UHFFFAOYSA-N -1 0 334.372 3.575 20 5 EHBDRM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000542608785 1122687236 /nfs/dbraw/zinc/68/72/36/1122687236.db2.gz LGRNGWXPKWAWBJ-UHFFFAOYSA-N -1 0 330.340 3.648 20 5 EHBDRM CC(C)(C)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000556275766 1122912658 /nfs/dbraw/zinc/91/26/58/1122912658.db2.gz SOWWFWXHQVMOFU-UHFFFAOYSA-N -1 0 348.399 3.866 20 5 EHBDRM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000182087027 1125152613 /nfs/dbraw/zinc/15/26/13/1125152613.db2.gz WWOVLVWLWJMIAT-ZETCQYMHSA-N -1 0 326.761 3.758 20 5 EHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cccc(-c2cccnc2)c1 ZINC000255882576 1129217424 /nfs/dbraw/zinc/21/74/24/1129217424.db2.gz OXMKNFIKDRDYSZ-SREVYHEPSA-N -1 0 347.330 3.920 20 5 EHBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[C@@H]1c1ccccc1 ZINC000154770649 1129586644 /nfs/dbraw/zinc/58/66/44/1129586644.db2.gz SLVJNPKKFUKFQK-ZFWWWQNUSA-N -1 0 340.379 3.566 20 5 EHBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H](c2ccco2)C1 ZINC000155606942 1129652174 /nfs/dbraw/zinc/65/21/74/1129652174.db2.gz RVMYABXGAYLZNO-SMDDNHRTSA-N -1 0 330.340 3.507 20 5 EHBDRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000331198622 1129656284 /nfs/dbraw/zinc/65/62/84/1129656284.db2.gz MJCXCPDNBKTULU-WWGRRREGSA-N -1 0 340.379 3.707 20 5 EHBDRM O=C([O-])c1ccc(Nc2ccc(-c3ncco3)cc2)cc1[N+](=O)[O-] ZINC001174505776 1132392125 /nfs/dbraw/zinc/39/21/25/1132392125.db2.gz MQILMBCGYDVKGV-UHFFFAOYSA-N -1 0 325.280 3.692 20 5 EHBDRM O=C([O-])c1ccc(Nc2cccc(F)c2N2CCCC2)cc1[N+](=O)[O-] ZINC001174505693 1132392812 /nfs/dbraw/zinc/39/28/12/1132392812.db2.gz JBVPLCFQAFLIEC-UHFFFAOYSA-N -1 0 345.330 3.776 20 5 EHBDRM O=C([O-])c1cc(Nc2cnc3ccc(F)cc3c2)cc([N+](=O)[O-])c1 ZINC001176671884 1132979359 /nfs/dbraw/zinc/97/93/59/1132979359.db2.gz CINZRGVUYOOUOY-UHFFFAOYSA-N -1 0 327.271 3.724 20 5 EHBDRM CC(=O)c1cc(Cl)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678984 1132981211 /nfs/dbraw/zinc/98/12/11/1132981211.db2.gz DDTLCGBEIJOPJA-UHFFFAOYSA-N -1 0 334.715 3.893 20 5 EHBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC001177602094 1133085670 /nfs/dbraw/zinc/08/56/70/1133085670.db2.gz GJDOTRYNKQZKBU-SJKOYZFVSA-N -1 0 326.352 3.524 20 5 EHBDRM CCN(c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)C(C)C ZINC000788274540 1134106866 /nfs/dbraw/zinc/10/68/66/1134106866.db2.gz NNKIKDKHIXEBFS-UHFFFAOYSA-N -1 0 343.383 3.787 20 5 EHBDRM O=C(NC1(c2ccccc2)CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136180219 1136904287 /nfs/dbraw/zinc/90/42/87/1136904287.db2.gz PLIDDPKDHIVVPM-UHFFFAOYSA-N -1 0 346.770 3.763 20 5 EHBDRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136256816 1136957634 /nfs/dbraw/zinc/95/76/34/1136957634.db2.gz LMTNBBLQZBHNOM-LBPRGKRZSA-N -1 0 344.367 3.579 20 5 EHBDRM O=C(NCCCCCCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000862625915 1137152193 /nfs/dbraw/zinc/15/21/93/1137152193.db2.gz POERCWCBMDADAX-UHFFFAOYSA-N -1 0 342.395 3.833 20 5 EHBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000331991958 1137927915 /nfs/dbraw/zinc/92/79/15/1137927915.db2.gz ZPZKFRLTNVUWLW-ABAIWWIYSA-N -1 0 330.340 3.507 20 5 EHBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000736670147 599799586 /nfs/dbraw/zinc/79/95/86/599799586.db2.gz CUFSIRUUKWOODU-LXSSAFMLSA-N -1 0 328.324 3.571 20 5 EHBDRM O=C([O-])CCc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000739766589 599922999 /nfs/dbraw/zinc/92/29/99/599922999.db2.gz MYEOJDCSNUGNJC-UHFFFAOYSA-N 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Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001605194311 972920061 /nfs/dbraw/zinc/92/00/61/972920061.db2.gz BDUIXDNQCUKZGE-JTQLQIEISA-N -1 0 346.305 3.613 20 5 EHBDRM O=C([O-])Cc1ccc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000515386461 974299523 /nfs/dbraw/zinc/29/95/23/974299523.db2.gz PASMXLRCYHGMNK-CTYIDZIISA-N -1 0 344.342 3.719 20 5 EHBDRM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000567902431 974647667 /nfs/dbraw/zinc/64/76/67/974647667.db2.gz LITNWWQSYHERSA-GWCFXTLKSA-N -1 0 330.340 3.550 20 5 EHBDRM Cc1cc(N2CCC(c3ccco3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000594734946 974991290 /nfs/dbraw/zinc/99/12/90/974991290.db2.gz DUQPKDPNDUUUPW-UHFFFAOYSA-N -1 0 330.340 3.578 20 5 EHBDRM C[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC001592730888 979252536 /nfs/dbraw/zinc/25/25/36/979252536.db2.gz ZQFALGYTIQLXJW-JTQLQIEISA-N -1 0 341.323 3.650 20 5 EHBDRM Cc1noc(C)c1[C@H](C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] 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334.372 3.587 20 5 EHBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000509627993 1024651936 /nfs/dbraw/zinc/65/19/36/1024651936.db2.gz DWULUIZRFLSKES-UHFFFAOYSA-N -1 0 346.408 3.583 20 5 EHBDRM Cc1c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cccc1C(F)(F)F ZINC000346489491 1024798980 /nfs/dbraw/zinc/79/89/80/1024798980.db2.gz GKOYWZAQXZVPFQ-UHFFFAOYSA-N -1 0 340.257 3.880 20 5 EHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000474430436 1024954185 /nfs/dbraw/zinc/95/41/85/1024954185.db2.gz FHMYXXLSYHSPDX-UHFFFAOYSA-N -1 0 345.113 3.999 20 5 EHBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474440021 1024974764 /nfs/dbraw/zinc/97/47/64/1024974764.db2.gz PQPDWHYTALIJOK-UHFFFAOYSA-N -1 0 345.113 3.999 20 5 EHBDRM CC[C@H](CN(CC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436567708 1025897218 /nfs/dbraw/zinc/89/72/18/1025897218.db2.gz UCXNYIZHPHWSNW-CQSZACIVSA-N -1 0 342.395 3.956 20 5 EHBDRM 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Cc1ccc([C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000175458370 1016259564 /nfs/dbraw/zinc/25/95/64/1016259564.db2.gz WLIWTFIPCOUUTL-JTQLQIEISA-N -1 0 334.759 3.753 20 5 EHBDRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436794988 1021240288 /nfs/dbraw/zinc/24/02/88/1021240288.db2.gz PUVUOVFMWQTLCS-BZNIZROVSA-N -1 0 344.342 3.663 20 5 EHBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1-c1ccncc1 ZINC000436858368 1021296392 /nfs/dbraw/zinc/29/63/92/1021296392.db2.gz DXTLXDHGMNDZRL-UHFFFAOYSA-N -1 0 349.346 3.923 20 5 EHBDRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000436869033 1021307546 /nfs/dbraw/zinc/30/75/46/1021307546.db2.gz CCQPPDSBTQXMBD-HNNXBMFYSA-N -1 0 344.367 3.959 20 5 EHBDRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000436872939 1021315717 /nfs/dbraw/zinc/31/57/17/1021315717.db2.gz YBSBPVPOSXTAPY-XHDPSFHLSA-N -1 0 344.367 3.815 20 5 EHBDRM O=C(NC(c1ccccc1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436946460 1021407637 /nfs/dbraw/zinc/40/76/37/1021407637.db2.gz JCPNBEVWPVUITR-UHFFFAOYSA-N -1 0 348.358 3.820 20 5 EHBDRM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436954050 1021418531 /nfs/dbraw/zinc/41/85/31/1021418531.db2.gz DLSSWJGLLZOZRJ-ZDUSSCGKSA-N -1 0 328.368 3.750 20 5 EHBDRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957919 1021421146 /nfs/dbraw/zinc/42/11/46/1021421146.db2.gz YDJITXRGHLVMPF-WDEREUQCSA-N -1 0 344.342 3.588 20 5 EHBDRM C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000436991346 1021447014 /nfs/dbraw/zinc/44/70/14/1021447014.db2.gz SMQFSJFFWJLKTA-GFCCVEGCSA-N -1 0 326.352 3.845 20 5 EHBDRM O=C([O-])[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)CC1CC1 ZINC000519165920 1021907194 /nfs/dbraw/zinc/90/71/94/1021907194.db2.gz JKILGLSJGWQDGY-OAHLLOKOSA-N -1 0 348.402 3.619 20 5 EHBDRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000506120905 1022096949 /nfs/dbraw/zinc/09/69/49/1022096949.db2.gz 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Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000436638727 1025970490 /nfs/dbraw/zinc/97/04/90/1025970490.db2.gz KHPAAJJPDNTANI-XHDPSFHLSA-N -1 0 344.367 3.815 20 5 EHBDRM Cc1ccc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000436672461 1026015262 /nfs/dbraw/zinc/01/52/62/1026015262.db2.gz YYICQXBSHKYHOG-OAHLLOKOSA-N -1 0 344.367 3.959 20 5 EHBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759538728 1026579286 /nfs/dbraw/zinc/57/92/86/1026579286.db2.gz KIKRWXXSXXYETH-SECBINFHSA-N -1 0 337.278 3.805 20 5 EHBDRM Cc1coc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000479577838 1026711159 /nfs/dbraw/zinc/71/11/59/1026711159.db2.gz KNRYSQVLNAPGFR-UHFFFAOYSA-N -1 0 346.364 3.759 20 5 EHBDRM Cc1cc2sc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])nc2c(C)c1 ZINC000503673514 1028034314 /nfs/dbraw/zinc/03/43/14/1028034314.db2.gz MJXHHWRJFYJWTI-UHFFFAOYSA-N -1 0 343.364 3.779 20 5 EHBDRM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475609047 1028072190 /nfs/dbraw/zinc/07/21/90/1028072190.db2.gz BVDPRJSAHWMOPA-QZTJIDSGSA-N -1 0 340.379 3.757 20 5 EHBDRM Cc1[nH]c2c(cccc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000089531034 1029936309 /nfs/dbraw/zinc/93/63/09/1029936309.db2.gz YTACHMDDWSZUEX-UHFFFAOYSA-N -1 0 325.324 3.651 20 5 EHBDRM CC[C@@H](CN(CC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000482274350 1030302414 /nfs/dbraw/zinc/30/24/14/1030302414.db2.gz ZNRBPTQVAWSITC-AWEZNQCLSA-N -1 0 342.395 3.956 20 5 EHBDRM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000447858125 1030549557 /nfs/dbraw/zinc/54/95/57/1030549557.db2.gz HZWMVTXTNTXBLR-KRWDZBQOSA-N -1 0 346.358 3.909 20 5 EHBDRM CC[C@H](C)Oc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000160112031 1030549838 /nfs/dbraw/zinc/54/98/38/1030549838.db2.gz RLQIEQRAVPTULI-NSHDSACASA-N -1 0 330.340 3.730 20 5 EHBDRM C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541352 1033439575 /nfs/dbraw/zinc/43/95/75/1033439575.db2.gz RZXQDFFBGYRJCB-DDTOSNHZSA-N -1 0 343.383 3.690 20 5 EHBDRM O=C([O-])c1cc(NCc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000592970179 1033724888 /nfs/dbraw/zinc/72/48/88/1033724888.db2.gz RQXAEULDDSFYET-UHFFFAOYSA-N -1 0 341.367 3.505 20 5 EHBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000595279920 1033725693 /nfs/dbraw/zinc/72/56/93/1033725693.db2.gz GGCSKZOMZQKWDZ-ZIAGYGMSSA-N -1 0 338.429 3.512 20 5 EHBDRM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375904608 1034888563 /nfs/dbraw/zinc/88/85/63/1034888563.db2.gz VBVZFOVICWVTNS-OCCSQVGLSA-N -1 0 344.342 3.506 20 5 EHBDRM O=C([O-])c1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000013216456 1035256981 /nfs/dbraw/zinc/25/69/81/1035256981.db2.gz UPDVKAYDEDFHHH-GHXNOFRVSA-N -1 0 343.726 3.906 20 5 EHBDRM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180109299 1035449549 /nfs/dbraw/zinc/44/95/49/1035449549.db2.gz BLZLKSVUIINCJJ-UHFFFAOYSA-N 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Cc1nc(CC(C)C)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546537 1040359577 /nfs/dbraw/zinc/35/95/77/1040359577.db2.gz BXCJFTPHXFOCKT-UHFFFAOYSA-N -1 0 335.385 3.516 20 5 EHBDRM CC(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000509802313 1041007598 /nfs/dbraw/zinc/00/75/98/1041007598.db2.gz CDUHODOIBKOXOI-MRXNPFEDSA-N -1 0 328.368 3.818 20 5 EHBDRM COc1ccc(F)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000549892773 1041375304 /nfs/dbraw/zinc/37/53/04/1041375304.db2.gz TUUUHNLGQUFTJR-SECBINFHSA-N -1 0 334.303 3.614 20 5 EHBDRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000124284260 1041658787 /nfs/dbraw/zinc/65/87/87/1041658787.db2.gz DZRQZLCJJJEGRQ-NSHDSACASA-N -1 0 340.335 3.880 20 5 EHBDRM Cc1nc2c(s1)[C@@H](N(C)Cc1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000093364833 1042228972 /nfs/dbraw/zinc/22/89/72/1042228972.db2.gz JCLBUXOYRILUTM-HNNXBMFYSA-N -1 0 333.413 3.575 20 5 EHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111650368 1042277694 /nfs/dbraw/zinc/27/76/94/1042277694.db2.gz LIZXCRQFPXOAMR-CYBMUJFWSA-N -1 0 346.770 3.584 20 5 EHBDRM CSc1c(F)cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000184589994 1042584506 /nfs/dbraw/zinc/58/45/06/1042584506.db2.gz LZZCNFIYLUTLRM-UHFFFAOYSA-N -1 0 340.307 3.553 20 5 EHBDRM COc1cc(Cl)c(C)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432580719 1044366893 /nfs/dbraw/zinc/36/68/93/1044366893.db2.gz VDZUSCROJWOWFE-UHFFFAOYSA-N -1 0 336.731 3.523 20 5 EHBDRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077042524 1128977886 /nfs/dbraw/zinc/97/78/86/1128977886.db2.gz HZTWMTHGDOURNS-LLVKDONJSA-N -1 0 348.786 3.657 20 5 EHBDRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000113443792 1129016821 /nfs/dbraw/zinc/01/68/21/1129016821.db2.gz GEDCSKMHNKUJSQ-UHFFFAOYSA-N -1 0 346.358 3.534 20 5 EHBDRM COc1cccc([C@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000917090986 1122489582 /nfs/dbraw/zinc/48/95/82/1122489582.db2.gz 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337.335 3.762 20 5 EHBDRM Cc1cc(NCC(C)(C)[C@H]2CCCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896794 602323983 /nfs/dbraw/zinc/32/39/83/602323983.db2.gz NHBPYRAKJCSLJB-CQSZACIVSA-N -1 0 336.388 3.609 20 5 EHBDRM CSc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000740016503 602500126 /nfs/dbraw/zinc/50/01/26/602500126.db2.gz PNUNJTYIDSOUAI-UHFFFAOYSA-N -1 0 347.352 3.659 20 5 EHBDRM CCOc1cc(NC[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000833660133 604827768 /nfs/dbraw/zinc/82/77/68/604827768.db2.gz GGKNXADZIVOADL-HNNXBMFYSA-N -1 0 344.367 3.582 20 5 EHBDRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833422613 605185870 /nfs/dbraw/zinc/18/58/70/605185870.db2.gz KAZGVWBINJBYJJ-IUODEOHRSA-N -1 0 336.388 3.546 20 5 EHBDRM CCC(CC)[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000833641960 605196319 /nfs/dbraw/zinc/19/63/19/605196319.db2.gz DOUPCDCJMDMNFM-BBRMVZONSA-N -1 0 336.388 3.689 20 5 EHBDRM O=C([O-])Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 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CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000583686522 1030469779 /nfs/dbraw/zinc/46/97/79/1030469779.db2.gz HPXNEPCWDJCBIL-LBPRGKRZSA-N -1 0 344.367 3.579 20 5 EHBDRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000089541034 1031129497 /nfs/dbraw/zinc/12/94/97/1031129497.db2.gz XQIUGZRWWYGAQE-UHFFFAOYSA-N -1 0 342.351 3.519 20 5 EHBDRM Cc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1[N+](=O)[O-] ZINC000484113842 1031464561 /nfs/dbraw/zinc/46/45/61/1031464561.db2.gz KGIWZNCBFZNKCB-UHFFFAOYSA-N -1 0 348.405 3.919 20 5 EHBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000603969777 1034080763 /nfs/dbraw/zinc/08/07/63/1034080763.db2.gz LSEQKYILGUAWSU-UHFFFAOYSA-N -1 0 340.788 3.666 20 5 EHBDRM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000596655776 1034330180 /nfs/dbraw/zinc/33/01/80/1034330180.db2.gz AEQDLQUQTSKBIW-UHFFFAOYSA-N -1 0 346.383 3.788 20 5 EHBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](c2ccco2)C1 ZINC000179530115 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334.759 3.616 20 5 EHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000091054576 1128441144 /nfs/dbraw/zinc/44/11/44/1128441144.db2.gz GERRQOAMDWTEIZ-UHFFFAOYSA-N -1 0 340.788 3.666 20 5 EHBDRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077042518 1128977888 /nfs/dbraw/zinc/97/78/88/1128977888.db2.gz HZTWMTHGDOURNS-NSHDSACASA-N -1 0 348.786 3.657 20 5 EHBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237570889 1123772253 /nfs/dbraw/zinc/77/22/53/1123772253.db2.gz XRELFRJJHDUTJU-SFHVURJKSA-N -1 0 348.399 3.903 20 5 EHBDRM Cc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc2cccnc12 ZINC000543118582 1129254505 /nfs/dbraw/zinc/25/45/05/1129254505.db2.gz ZEVZWSNSQSOVGO-SNAWJCMRSA-N -1 0 335.319 3.715 20 5 EHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000173814914 1130319036 /nfs/dbraw/zinc/31/90/36/1130319036.db2.gz RWIUGMLKIUCVGO-LBPRGKRZSA-N -1 0 344.367 3.532 20 5 EHBDRM 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O=C(Nc1cccc(Cl)c1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609921640 1123692706 /nfs/dbraw/zinc/69/27/06/1123692706.db2.gz WXRSQIRKXZRLHH-UHFFFAOYSA-N -1 0 332.699 3.952 20 5 EHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1Cl ZINC000180779255 1124071132 /nfs/dbraw/zinc/07/11/32/1124071132.db2.gz VLPIQVMATNTMRG-UHFFFAOYSA-N -1 0 345.113 3.999 20 5 EHBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(F)c1F ZINC000499685120 1129343610 /nfs/dbraw/zinc/34/36/10/1129343610.db2.gz PCARITYFXPTEPD-VIFPVBQESA-N -1 0 346.293 3.518 20 5 EHBDRM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000012611171 1129442997 /nfs/dbraw/zinc/44/29/97/1129442997.db2.gz ZLRHZJCPHNFTNX-UHFFFAOYSA-N -1 0 344.411 3.589 20 5 EHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000013258739 1129512808 /nfs/dbraw/zinc/51/28/08/1129512808.db2.gz UTWQHYNUGCSILI-UHFFFAOYSA-N -1 0 346.364 3.576 20 5 EHBDRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331126272 1129653860 /nfs/dbraw/zinc/65/38/60/1129653860.db2.gz DKBXEUMSZFOFON-VBHSOAQHSA-N -1 0 340.379 3.707 20 5 EHBDRM O=C([O-])c1ccc(Nc2cnc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC001174502830 1132391388 /nfs/dbraw/zinc/39/13/88/1132391388.db2.gz JPTWWSCCFGZDBZ-UHFFFAOYSA-N -1 0 328.111 3.738 20 5 EHBDRM Cc1nccn1-c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505185 1132391541 /nfs/dbraw/zinc/39/15/41/1132391541.db2.gz SUCVQQIAIQHLHL-UHFFFAOYSA-N -1 0 338.323 3.531 20 5 EHBDRM Cc1ccc(-n2nccc2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174503257 1132391823 /nfs/dbraw/zinc/39/18/23/1132391823.db2.gz HKGZWDIYGHNHQB-UHFFFAOYSA-N -1 0 338.323 3.531 20 5 EHBDRM COc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ncccc12 ZINC001174507296 1132393247 /nfs/dbraw/zinc/39/32/47/1132393247.db2.gz HQIONYJLLZBMPR-UHFFFAOYSA-N -1 0 339.307 3.593 20 5 EHBDRM O=C([O-])c1cc(Nc2cncc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC001176673348 1132979798 /nfs/dbraw/zinc/97/97/98/1132979798.db2.gz XEOHUAOZGWDGQY-UHFFFAOYSA-N -1 0 328.111 3.738 20 5 EHBDRM Cc1nc(C(F)(F)F)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176675097 1132980861 /nfs/dbraw/zinc/98/08/61/1132980861.db2.gz SFUTUNATDDWVMU-UHFFFAOYSA-N -1 0 341.245 3.759 20 5 EHBDRM Nc1cccc(C(F)(F)F)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680079 1132981909 /nfs/dbraw/zinc/98/19/09/1132981909.db2.gz OADXOYKCIZBUDC-UHFFFAOYSA-N -1 0 341.245 3.638 20 5 EHBDRM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000770013512 1133371024 /nfs/dbraw/zinc/37/10/24/1133371024.db2.gz VRIFTWMXSATCKD-UHFFFAOYSA-N -1 0 341.298 3.950 20 5 EHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccnc(Cl)c1Cl ZINC000791432740 1134549296 /nfs/dbraw/zinc/54/92/96/1134549296.db2.gz CATVTYOANAUZIG-UPHRSURJSA-N -1 0 340.122 3.560 20 5 EHBDRM O=C(Nc1cc(C(F)(F)F)no1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001130562894 1135416850 /nfs/dbraw/zinc/41/68/50/1135416850.db2.gz CTQBBSXWYIKUKK-UHFFFAOYSA-N -1 0 335.625 3.507 20 5 EHBDRM O=C([N-]c1cc(F)c(F)c(F)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC001132498298 1136020472 /nfs/dbraw/zinc/02/04/72/1136020472.db2.gz VOJAMEHQOPLOKE-UHFFFAOYSA-N -1 0 332.184 3.543 20 5 EHBDRM COc1cccc(C2=CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000338941410 1136422121 /nfs/dbraw/zinc/42/21/21/1136422121.db2.gz GXKQKKYPXMANRX-UHFFFAOYSA-N -1 0 340.379 3.598 20 5 EHBDRM Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1N(C)C ZINC001135862266 1136793220 /nfs/dbraw/zinc/79/32/20/1136793220.db2.gz IZWIQIUTBXXHIS-UHFFFAOYSA-N -1 0 349.774 3.581 20 5 EHBDRM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001136702032 1137095118 /nfs/dbraw/zinc/09/51/18/1137095118.db2.gz STMQQZXGIFCCIJ-JQWIXIFHSA-N -1 0 340.807 3.898 20 5 EHBDRM CCC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000844211843 1137204628 /nfs/dbraw/zinc/20/46/28/1137204628.db2.gz ISPRPQJGXFUQST-NVXWUHKLSA-N -1 0 344.367 3.607 20 5 EHBDRM Cc1ccc([C@@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000331846737 1137922658 /nfs/dbraw/zinc/92/26/58/1137922658.db2.gz CHAUUVSXAMTPQO-HNNXBMFYSA-N -1 0 330.340 3.569 20 5 EHBDRM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000332344272 1137940883 /nfs/dbraw/zinc/94/08/83/1137940883.db2.gz FVOMKZVSYLZSRK-CJNGLKHVSA-N -1 0 340.379 3.566 20 5 EHBDRM O=C(Nc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183433559 1140038458 /nfs/dbraw/zinc/03/84/58/1140038458.db2.gz PTAGXYLGVXUOMA-UHFFFAOYSA-N -1 0 342.351 3.874 20 5 EHBDRM COc1cc(/C=C\c2ccc3cccc(O)c3n2)cc([N+](=O)[O-])c1[O-] ZINC000098021253 219070461 /nfs/dbraw/zinc/07/04/61/219070461.db2.gz IYLMLDPAYYLONF-ALCCZGGFSA-N -1 0 338.319 3.733 20 5 EHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc2ccccc21 ZINC000017841102 211973689 /nfs/dbraw/zinc/97/36/89/211973689.db2.gz XXSBJOGQOKXYSR-LBPRGKRZSA-N -1 0 336.347 3.945 20 5 EHBDRM O=C([O-])c1cc(-c2nc(-c3cccc(Cl)c3)no2)cc([N+](=O)[O-])c1 ZINC000738669491 600106518 /nfs/dbraw/zinc/10/65/18/600106518.db2.gz OZPDKTWIHLYACR-UHFFFAOYSA-N -1 0 345.698 3.663 20 5 EHBDRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 ZINC000738670133 600106544 /nfs/dbraw/zinc/10/65/44/600106544.db2.gz STLLKUPEQUJKPR-UHFFFAOYSA-N -1 0 345.698 3.663 20 5 EHBDRM CSc1ccc(C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000738199609 600133351 /nfs/dbraw/zinc/13/33/51/600133351.db2.gz OHIMRPUNPXWXDU-UHFFFAOYSA-N -1 0 347.348 3.543 20 5 EHBDRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736904084 600186925 /nfs/dbraw/zinc/18/69/25/600186925.db2.gz PFJREFKMYYLCMZ-ZDUSSCGKSA-N -1 0 342.351 3.500 20 5 EHBDRM O=C([O-])CCCSc1nc2ccccc2c2nc3ccccc3n21 ZINC000739696975 600274441 /nfs/dbraw/zinc/27/44/41/600274441.db2.gz CURUSLZVOTVBMQ-UHFFFAOYSA-N -1 0 337.404 3.993 20 5 EHBDRM CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C(=O)[O-] ZINC000737060017 600523586 /nfs/dbraw/zinc/52/35/86/600523586.db2.gz XFXQHTXLDIDPKF-UHFFFAOYSA-N -1 0 348.742 3.613 20 5 EHBDRM O=C([O-])c1ccc(/C=C(/Cl)c2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000833311732 601332837 /nfs/dbraw/zinc/33/28/37/601332837.db2.gz BTFVHXANJWLFTF-RMKNXTFCSA-N -1 0 334.671 3.764 20 5 EHBDRM O=C([O-])Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000740034756 602102992 /nfs/dbraw/zinc/10/29/92/602102992.db2.gz ZDQSIXWEILZXKG-UHFFFAOYSA-N -1 0 335.703 3.590 20 5 EHBDRM COCCC1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000831684349 602134294 /nfs/dbraw/zinc/13/42/94/602134294.db2.gz FPKMECKOTJISSI-ALCCZGGFSA-N -1 0 348.399 3.701 20 5 EHBDRM COCCC1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000831684353 602134356 /nfs/dbraw/zinc/13/43/56/602134356.db2.gz FPKMECKOTJISSI-FNORWQNLSA-N -1 0 348.399 3.701 20 5 EHBDRM Cc1cc(NCc2ccc(Cl)s2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896960 602314024 /nfs/dbraw/zinc/31/40/24/602314024.db2.gz IWRNLKMSDSSBQK-UHFFFAOYSA-N -1 0 326.761 3.928 20 5 EHBDRM Cc1cc(N[C@H]2CSc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897180 602319152 /nfs/dbraw/zinc/31/91/52/602319152.db2.gz RXCMVSPYJDKSJM-ZDUSSCGKSA-N -1 0 330.365 3.860 20 5 EHBDRM COc1cccc2c1CC[C@H]2Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566290723 602323574 /nfs/dbraw/zinc/32/35/74/602323574.db2.gz CGNKIALNCHEBGP-OAHLLOKOSA-N -1 0 342.351 3.709 20 5 EHBDRM O=C([O-])NCc1cccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000740679556 602455825 /nfs/dbraw/zinc/45/58/25/602455825.db2.gz KPWFQTYJMCULJU-UHFFFAOYSA-N -1 0 338.323 3.654 20 5 EHBDRM Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1NC(=O)[O-] ZINC000830155798 603409128 /nfs/dbraw/zinc/40/91/28/603409128.db2.gz SANPLGHOGZSNOR-UHFFFAOYSA-N -1 0 340.295 3.710 20 5 EHBDRM C[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccncc1 ZINC000827511997 604270824 /nfs/dbraw/zinc/27/08/24/604270824.db2.gz FGHYNRZSOZJWCC-VIFPVBQESA-N -1 0 335.747 3.557 20 5 EHBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC001595190342 952278580 /nfs/dbraw/zinc/27/85/80/952278580.db2.gz GJDWXJGCEMUOLN-UONOGXRCSA-N -1 0 346.770 3.553 20 5 EHBDRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000263550465 962723269 /nfs/dbraw/zinc/72/32/69/962723269.db2.gz KJHIWOJNOMXDAC-CYBMUJFWSA-N -1 0 349.774 3.531 20 5 EHBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000472007429 974199317 /nfs/dbraw/zinc/19/93/17/974199317.db2.gz VRYIBTWMKWUVTB-UHFFFAOYSA-N -1 0 348.742 3.816 20 5 EHBDRM Cc1cccc([C@@H]2CCCN2c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000567275709 974630509 /nfs/dbraw/zinc/63/05/09/974630509.db2.gz ZHRARTGEOQAFLK-HNNXBMFYSA-N -1 0 341.367 3.646 20 5 EHBDRM Cc1cc(N2C[C@H](C)C[C@@H]2c2cccnc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578774814 974862348 /nfs/dbraw/zinc/86/23/48/974862348.db2.gz QGACWHNROOKDNA-BDJLRTHQSA-N -1 0 341.367 3.584 20 5 EHBDRM CC(C)Oc1cccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001591797025 976011985 /nfs/dbraw/zinc/01/19/85/976011985.db2.gz UZAROPWGYIWYAL-UHFFFAOYSA-N -1 0 331.324 3.659 20 5 EHBDRM C[C@H](CC(=O)[O-])Sc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001592421975 978035210 /nfs/dbraw/zinc/03/52/10/978035210.db2.gz HLYJKFMAPBUPCJ-SECBINFHSA-N -1 0 336.344 3.751 20 5 EHBDRM O=C([O-])/C=C\c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1 ZINC000746994137 978686293 /nfs/dbraw/zinc/68/62/93/978686293.db2.gz BVBADAGDUPFEHQ-CLFYSBASSA-N -1 0 344.392 3.897 20 5 EHBDRM O=C([O-])CCCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841506547 979307117 /nfs/dbraw/zinc/30/71/17/979307117.db2.gz SGQCANOJQLFUOV-UHFFFAOYSA-N -1 0 340.685 3.934 20 5 EHBDRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC001595432447 981057116 /nfs/dbraw/zinc/05/71/16/981057116.db2.gz QADNHWOSROQAAR-DGCLKSJQSA-N -1 0 349.387 3.692 20 5 EHBDRM CCCOc1ccc(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c(C)c1 ZINC001595966387 983172746 /nfs/dbraw/zinc/17/27/46/983172746.db2.gz JRQCOWRMOPOFKP-UHFFFAOYSA-N -1 0 345.355 3.837 20 5 EHBDRM CCN(c1ccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1)C(C)C ZINC001596385466 983912030 /nfs/dbraw/zinc/91/20/30/983912030.db2.gz 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CC[C@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001594951791 982661301 /nfs/dbraw/zinc/66/13/01/982661301.db2.gz BOMVKIWTMZWDFO-QPUJVOFHSA-N -1 0 345.193 3.659 20 5 EHBDRM CC[C@@H](C)C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001594951790 982661752 /nfs/dbraw/zinc/66/17/52/982661752.db2.gz BOMVKIWTMZWDFO-PRHODGIISA-N -1 0 345.193 3.659 20 5 EHBDRM C[C@H](Cc1ccsc1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000918736284 982687981 /nfs/dbraw/zinc/68/79/81/982687981.db2.gz WLPGAFRWTBYLCF-USEMIUTHSA-N -1 0 332.381 3.797 20 5 EHBDRM CCCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001596063168 983374988 /nfs/dbraw/zinc/37/49/88/983374988.db2.gz TZCIZDRJKVOWNC-UHFFFAOYSA-N -1 0 334.353 3.559 20 5 EHBDRM CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1C(=O)[O-] ZINC001596164793 983527984 /nfs/dbraw/zinc/52/79/84/983527984.db2.gz DENCNLFDHNRTBE-UHFFFAOYSA-N -1 0 342.351 3.577 20 5 EHBDRM C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])cc1 ZINC001599903684 984892829 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OCFYKCZVTGNANX-ZDUSSCGKSA-N -1 0 334.416 3.977 20 5 EHBDRM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC(C)(C)C1 ZINC000565661186 1017612102 /nfs/dbraw/zinc/61/21/02/1017612102.db2.gz PDHYIFJVTGXCOI-UHFFFAOYSA-N -1 0 326.780 3.605 20 5 EHBDRM CC(C)C[C@@H](Cc1cccc(-c2ccc([N+](=O)[O-])nc2)c1)C(=O)[O-] ZINC000584540749 1018525398 /nfs/dbraw/zinc/52/53/98/1018525398.db2.gz JSNGKSQEMJHYQR-INIZCTEOSA-N -1 0 328.368 3.946 20 5 EHBDRM Cc1cnc([C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C2CC2)s1 ZINC000580315809 1019009504 /nfs/dbraw/zinc/00/95/04/1019009504.db2.gz OZIGSVCKGPEUMU-ZDUSSCGKSA-N -1 0 333.369 3.621 20 5 EHBDRM C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000436926678 1021386213 /nfs/dbraw/zinc/38/62/13/1021386213.db2.gz OIJQRZXLGJUCHE-GFCCVEGCSA-N -1 0 326.352 3.845 20 5 EHBDRM Cc1c(Cc2noc(-c3cc(Cl)ccc3[O-])n2)cccc1[N+](=O)[O-] ZINC000436947868 1021408127 /nfs/dbraw/zinc/40/81/27/1021408127.db2.gz VFPJOHGWBXSJCM-UHFFFAOYSA-N -1 0 345.742 3.903 20 5 EHBDRM 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/nfs/dbraw/zinc/98/23/77/1132982377.db2.gz VCFWVEPNGIUAGS-UHFFFAOYSA-N -1 0 342.351 3.931 20 5 EHBDRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770856683 1133473563 /nfs/dbraw/zinc/47/35/63/1133473563.db2.gz LGZBHJASZAYUMP-UHFFFAOYSA-N -1 0 345.336 3.578 20 5 EHBDRM COCCN(Cc1ccc(C)cc1C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001190589217 1134723844 /nfs/dbraw/zinc/72/38/44/1134723844.db2.gz MPDXVFUBABYXJT-UHFFFAOYSA-N -1 0 344.411 3.566 20 5 EHBDRM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776200185 1136051810 /nfs/dbraw/zinc/05/18/10/1136051810.db2.gz QOXQPGZYIQDAIZ-UHFFFAOYSA-N -1 0 344.367 3.868 20 5 EHBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000850280895 1136230237 /nfs/dbraw/zinc/23/02/37/1136230237.db2.gz LLLMRAJXPRTLDZ-VXGBXAGGSA-N -1 0 347.289 3.712 20 5 EHBDRM O=C([O-])c1cc(N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000863480952 1137188704 /nfs/dbraw/zinc/18/87/04/1137188704.db2.gz XNFJNOJKQXJTKQ-JLJPHGGASA-N 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CCc1nc([C@H](C)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000737277001 600240822 /nfs/dbraw/zinc/24/08/22/600240822.db2.gz NPUDXKPALLGFQS-STUBTGCMSA-N -1 0 347.396 3.885 20 5 EHBDRM CS[C@@H]1CCC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000738182570 600314141 /nfs/dbraw/zinc/31/41/41/600314141.db2.gz SDDHXUOWUSXKFB-FRNKVXGRSA-N -1 0 336.413 3.779 20 5 EHBDRM CN(Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493638 600399298 /nfs/dbraw/zinc/39/92/98/600399298.db2.gz GPUIYSLLDWRQIY-OAHLLOKOSA-N -1 0 334.759 3.506 20 5 EHBDRM Cc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738755648 600544773 /nfs/dbraw/zinc/54/47/73/600544773.db2.gz AXLBQHYSDXTQTH-UHFFFAOYSA-N -1 0 342.351 3.518 20 5 EHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000832957775 600707128 /nfs/dbraw/zinc/70/71/28/600707128.db2.gz KSYLTWGQPFRHJP-AWEZNQCLSA-N -1 0 349.726 3.539 20 5 EHBDRM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000327139213 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3.668 20 5 EHBDRM Cc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)[O-] ZINC000829965804 605580737 /nfs/dbraw/zinc/58/07/37/605580737.db2.gz JUVQWQDLRPGOPD-UHFFFAOYSA-N -1 0 349.730 3.899 20 5 EHBDRM Cc1c(NCc2ccc(Cl)s2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000071309424 957717478 /nfs/dbraw/zinc/71/74/78/957717478.db2.gz HENWRFFWAWQTTD-UHFFFAOYSA-N -1 0 326.761 3.928 20 5 EHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000567977704 974651311 /nfs/dbraw/zinc/65/13/11/974651311.db2.gz JOCCEOIIIHYSCZ-RHSMWYFYSA-N -1 0 342.351 3.625 20 5 EHBDRM CCC(CC)c1cc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])on1 ZINC000582184268 974922138 /nfs/dbraw/zinc/92/21/38/974922138.db2.gz SPVZIMBIDVZHRT-UHFFFAOYSA-N -1 0 333.344 3.797 20 5 EHBDRM C[C@@H](CC(C)(C)c1ccccc1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592454682 978166213 /nfs/dbraw/zinc/16/62/13/978166213.db2.gz YVMRFUUFSXZFAZ-LBPRGKRZSA-N -1 0 343.383 3.856 20 5 EHBDRM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844211350 979365975 /nfs/dbraw/zinc/36/59/75/979365975.db2.gz ZYXPYRCKMKKODY-CJNGLKHVSA-N -1 0 340.379 3.604 20 5 EHBDRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339507516 1014620380 /nfs/dbraw/zinc/62/03/80/1014620380.db2.gz RBZUGISDQNLRCM-CYBMUJFWSA-N -1 0 344.367 3.645 20 5 EHBDRM C/C(=C/C(=O)[O-])COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC001588951951 984683657 /nfs/dbraw/zinc/68/36/57/984683657.db2.gz JFDRNETYFWXXRL-LCYFTJDESA-N -1 0 327.336 3.595 20 5 EHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000157568387 1015083047 /nfs/dbraw/zinc/08/30/47/1015083047.db2.gz VYOPFHLPCCBBSE-GFCCVEGCSA-N -1 0 344.367 3.532 20 5 EHBDRM Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001599983305 986194148 /nfs/dbraw/zinc/19/41/48/986194148.db2.gz JMPKOMYVUBRLFY-UHFFFAOYSA-N -1 0 348.742 3.816 20 5 EHBDRM CCOc1cc(COc2cc(C(=O)[O-])ccc2C)ccc1[N+](=O)[O-] ZINC001597038460 986485133 /nfs/dbraw/zinc/48/51/33/986485133.db2.gz NVYSEMDTAGBTQR-UHFFFAOYSA-N -1 0 331.324 3.579 20 5 EHBDRM CCOc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001597104939 986731810 /nfs/dbraw/zinc/73/18/10/986731810.db2.gz BYNQFPVGIKKWKP-UHFFFAOYSA-N -1 0 330.340 3.612 20 5 EHBDRM CCc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001597503313 988071173 /nfs/dbraw/zinc/07/11/73/988071173.db2.gz PIHUKQPGOVAQLO-NSHDSACASA-N -1 0 342.351 3.598 20 5 EHBDRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001597576574 988367228 /nfs/dbraw/zinc/36/72/28/988367228.db2.gz PZNNNSSHPGNPLN-LLVKDONJSA-N -1 0 342.351 3.598 20 5 EHBDRM CCc1csc([C@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC001597639856 988634670 /nfs/dbraw/zinc/63/46/70/988634670.db2.gz PPWWPOMWUBGXDG-BXKUYDPTSA-N -1 0 347.396 3.885 20 5 EHBDRM C[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccccc1[N+](=O)[O-] ZINC001599841787 988851457 /nfs/dbraw/zinc/85/14/57/988851457.db2.gz LUGYDBMXELGGFM-SNVBAGLBSA-N -1 0 334.759 3.797 20 5 EHBDRM CN(Cc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598526164 992724418 /nfs/dbraw/zinc/72/44/18/992724418.db2.gz PJANUXRRDMKKCY-UHFFFAOYSA-N -1 0 334.759 3.578 20 5 EHBDRM COc1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001599597462 993767582 /nfs/dbraw/zinc/76/75/82/993767582.db2.gz TXVBEANRNSJHKW-UHFFFAOYSA-N -1 0 336.731 3.567 20 5 EHBDRM COc1cc(CSc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1F ZINC001599417935 997542519 /nfs/dbraw/zinc/54/25/19/997542519.db2.gz HUMLOAAFWNLPHU-UHFFFAOYSA-N -1 0 337.328 3.733 20 5 EHBDRM COCC(C)(C)CCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001599144827 998194714 /nfs/dbraw/zinc/19/47/14/998194714.db2.gz XWKNLDYDCSFOBF-UHFFFAOYSA-N -1 0 344.795 3.811 20 5 EHBDRM COc1cc([N+](=O)[O-])ccc1CSCc1ccccc1C(=O)[O-] ZINC001599462203 998293018 /nfs/dbraw/zinc/29/30/18/998293018.db2.gz UFJFIEBKIDRNEZ-UHFFFAOYSA-N -1 0 333.365 3.735 20 5 EHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000085602368 1032464618 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343.383 3.533 20 5 EHBDRM CC(C)Oc1ccccc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591804381 976029043 /nfs/dbraw/zinc/02/90/43/976029043.db2.gz FQDSRSRFECFSOE-UHFFFAOYSA-N -1 0 330.340 3.692 20 5 EHBDRM C[C@@H](CC(=O)[O-])Sc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001592422616 978037546 /nfs/dbraw/zinc/03/75/46/978037546.db2.gz TUFHDOHPXZNKMR-NSHDSACASA-N -1 0 348.380 3.524 20 5 EHBDRM CCC(CC)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC001595084125 979373366 /nfs/dbraw/zinc/37/33/66/979373366.db2.gz DTGWCBFPEAJLRY-UHFFFAOYSA-N -1 0 343.383 3.858 20 5 EHBDRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001599901020 984826089 /nfs/dbraw/zinc/82/60/89/984826089.db2.gz HIVJSCYKFMEDHH-BONVTDFDSA-N -1 0 334.759 3.725 20 5 EHBDRM CCOc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC001597038254 986483849 /nfs/dbraw/zinc/48/38/49/986483849.db2.gz HNMRTFADUGUNAR-UHFFFAOYSA-N -1 0 330.340 3.612 20 5 EHBDRM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] 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Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)sc1C(=O)[O-] ZINC000738448178 600370411 /nfs/dbraw/zinc/37/04/11/600370411.db2.gz CPHSLNBKPBALII-UHFFFAOYSA-N -1 0 346.320 3.661 20 5 EHBDRM Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000237727965 600586185 /nfs/dbraw/zinc/58/61/85/600586185.db2.gz BDZPTNLGJUHMGY-UHFFFAOYSA-N -1 0 334.715 3.507 20 5 EHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000178248133 600620200 /nfs/dbraw/zinc/62/02/00/600620200.db2.gz ODVGZARMLAPRFU-UHFFFAOYSA-N -1 0 334.715 3.507 20 5 EHBDRM CCc1cc(S[C@@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737252946 600626145 /nfs/dbraw/zinc/62/61/45/600626145.db2.gz YMRHKQAPHBNYLF-JTQLQIEISA-N -1 0 347.396 3.570 20 5 EHBDRM O=C([O-])Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000833290545 601395588 /nfs/dbraw/zinc/39/55/88/601395588.db2.gz UJUGEALEECOEQF-UHFFFAOYSA-N -1 0 335.703 3.590 20 5 EHBDRM O=C([O-])Nc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000833290484 601396340 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3.643 20 5 EHBDRM CCOc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC000592980729 953748040 /nfs/dbraw/zinc/74/80/40/953748040.db2.gz ZIPDRNCCQNXGGQ-CABCVRRESA-N -1 0 342.351 3.719 20 5 EHBDRM C[C@](CNc1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589072107 955781739 /nfs/dbraw/zinc/78/17/39/955781739.db2.gz JXVCYTJHSAUVLE-MRXNPFEDSA-N -1 0 334.759 3.703 20 5 EHBDRM CC(C)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001588966872 962651748 /nfs/dbraw/zinc/65/17/48/962651748.db2.gz PAMYKRVKOHNAGS-UHFFFAOYSA-N -1 0 342.351 3.598 20 5 EHBDRM O=C([O-])CC[C@H]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001606125878 973367263 /nfs/dbraw/zinc/36/72/63/973367263.db2.gz AJGNAODMZMJXDT-SNVBAGLBSA-N -1 0 346.305 3.695 20 5 EHBDRM CSc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000581550504 974912345 /nfs/dbraw/zinc/91/23/45/974912345.db2.gz BUGHOEQGBBIQOO-SNVBAGLBSA-N -1 0 347.396 3.891 20 5 EHBDRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001625777516 1014228586 /nfs/dbraw/zinc/22/85/86/1014228586.db2.gz RZYGHYSONISSIN-CQSZACIVSA-N -1 0 344.367 3.645 20 5 EHBDRM CC(C)Oc1ccccc1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591804396 976029126 /nfs/dbraw/zinc/02/91/26/976029126.db2.gz HDLOUGDOCAAXEI-UHFFFAOYSA-N -1 0 330.340 3.692 20 5 EHBDRM CC(C)c1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001591947725 976493821 /nfs/dbraw/zinc/49/38/21/976493821.db2.gz SUKRBOJSFOGVBG-UHFFFAOYSA-N -1 0 343.335 3.565 20 5 EHBDRM C[C@@H](CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001592609641 978556829 /nfs/dbraw/zinc/55/68/29/978556829.db2.gz GNUGWYLIWIVWIR-LBPRGKRZSA-N -1 0 348.786 3.976 20 5 EHBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1Cl ZINC000120172297 1014567552 /nfs/dbraw/zinc/56/75/52/1014567552.db2.gz DDLKXFFLKLUTLD-UHFFFAOYSA-N -1 0 347.179 3.702 20 5 EHBDRM C[C@H](CSc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001592830388 979555047 /nfs/dbraw/zinc/55/50/47/979555047.db2.gz QTWAULZEWOSLIW-SECBINFHSA-N 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CC(C)c1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000356858771 1021281933 /nfs/dbraw/zinc/28/19/33/1021281933.db2.gz AUJUVIXCRCURGY-UHFFFAOYSA-N -1 0 340.379 3.622 20 5 EHBDRM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073773190 1021314468 /nfs/dbraw/zinc/31/44/68/1021314468.db2.gz OATSICXTZCRSPC-UHFFFAOYSA-N -1 0 339.307 3.571 20 5 EHBDRM CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C(C)C ZINC000436893847 1021325397 /nfs/dbraw/zinc/32/53/97/1021325397.db2.gz CGZORFVBOXJAFO-UHFFFAOYSA-N -1 0 346.387 3.529 20 5 EHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000436951010 1021403311 /nfs/dbraw/zinc/40/33/11/1021403311.db2.gz QSPZLRCOZPJKRP-CQSZACIVSA-N -1 0 346.770 3.931 20 5 EHBDRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)c1 ZINC000436947965 1021408512 /nfs/dbraw/zinc/40/85/12/1021408512.db2.gz MWVXWVKMWVXVGS-ZDUSSCGKSA-N -1 0 328.368 3.750 20 5 EHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000436962665 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CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000507955508 1024783019 /nfs/dbraw/zinc/78/30/19/1024783019.db2.gz YXJRQGBZNYDVHR-UHFFFAOYSA-N -1 0 340.426 3.755 20 5 EHBDRM CCCc1cc(=O)[nH]c(C(=Cc2ccc([N+](=O)[O-])c(OC)c2)CC)n1 ZINC000435338975 1024812403 /nfs/dbraw/zinc/81/24/03/1024812403.db2.gz MGBVPBYNZLUSES-LCYFTJDESA-N -1 0 343.383 3.590 20 5 EHBDRM CC(C)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000428023478 1024945235 /nfs/dbraw/zinc/94/52/35/1024945235.db2.gz WBKQHUNZLLCWNM-UHFFFAOYSA-N -1 0 348.786 3.661 20 5 EHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(CC1CC1)CC1CCC1 ZINC000582183371 1025539513 /nfs/dbraw/zinc/53/95/13/1025539513.db2.gz KULHDRDAOUFEDJ-UHFFFAOYSA-N -1 0 338.791 3.606 20 5 EHBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1[N+](=O)[O-] ZINC000442854092 1025550989 /nfs/dbraw/zinc/55/09/89/1025550989.db2.gz VVYBRVWWUJPXHC-UHFFFAOYSA-N -1 0 338.366 3.512 20 5 EHBDRM COc1cccc(Cl)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000522822735 1025687661 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CC[C@H](C)Oc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000497659850 1122623729 /nfs/dbraw/zinc/62/37/29/1122623729.db2.gz GVHZELAWMZFLSU-NSHDSACASA-N -1 0 330.340 3.730 20 5 EHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000132170758 1129087663 /nfs/dbraw/zinc/08/76/63/1129087663.db2.gz FSDDNQIHRFMDOS-NSHDSACASA-N -1 0 332.331 3.663 20 5 EHBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(C(F)(F)F)c1 ZINC000617127125 1124092947 /nfs/dbraw/zinc/09/29/47/1124092947.db2.gz RETWMIJZVFAXEK-UHFFFAOYSA-N -1 0 340.257 3.880 20 5 EHBDRM CCOc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000466313419 1129377328 /nfs/dbraw/zinc/37/73/28/1129377328.db2.gz WMFXYJCWEOMCFT-UHFFFAOYSA-N -1 0 344.154 3.881 20 5 EHBDRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000131758922 1129838472 /nfs/dbraw/zinc/83/84/72/1129838472.db2.gz VTWHWCPJUKXTLH-ZFWWWQNUSA-N -1 0 340.379 3.627 20 5 EHBDRM O=C(NCc1c(Cl)cccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000543538748 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ZINC001592574451 978471643 /nfs/dbraw/zinc/47/16/43/978471643.db2.gz RXIYSKSTSZNWHZ-GFCCVEGCSA-N -1 0 348.399 3.581 20 5 EHBDRM C[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001592730450 979248721 /nfs/dbraw/zinc/24/87/21/979248721.db2.gz UUNQXJAJBBGQQF-LLVKDONJSA-N -1 0 332.331 3.577 20 5 EHBDRM Cc1cnc([C@@H](C)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000844212606 979370173 /nfs/dbraw/zinc/37/01/73/979370173.db2.gz JUHCADAOSHGNTI-OAQKJQOQSA-N -1 0 347.396 3.673 20 5 EHBDRM Cc1c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000871879033 979980231 /nfs/dbraw/zinc/98/02/31/979980231.db2.gz XAVMVQJKEKITAM-GFCCVEGCSA-N -1 0 328.368 3.779 20 5 EHBDRM CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)[O-] ZINC001595359291 980740246 /nfs/dbraw/zinc/74/02/46/980740246.db2.gz WALGYTWCDGMQFM-HNNXBMFYSA-N -1 0 337.404 3.991 20 5 EHBDRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C1CCC1 ZINC001595599465 981572050 /nfs/dbraw/zinc/57/20/50/981572050.db2.gz BBHWNUOKSREUBP-ZDUSSCGKSA-N -1 0 349.387 3.692 20 5 EHBDRM CCCN(Cc1ccc(F)cc1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595887847 982915932 /nfs/dbraw/zinc/91/59/32/982915932.db2.gz FVLLJPPBHLSWRH-UHFFFAOYSA-N -1 0 347.346 3.552 20 5 EHBDRM CC[C@@H](C)Oc1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001595010001 982937891 /nfs/dbraw/zinc/93/78/91/982937891.db2.gz ZMBWHLWTRHMMBU-SNVBAGLBSA-N -1 0 331.328 3.609 20 5 EHBDRM CCCOc1cccc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001595970332 983195723 /nfs/dbraw/zinc/19/57/23/983195723.db2.gz YJAQQQBBAZBLLG-UHFFFAOYSA-N -1 0 331.324 3.661 20 5 EHBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000164835834 1015068261 /nfs/dbraw/zinc/06/82/61/1015068261.db2.gz CELFFNJNPUZIRF-FZMZJTMJSA-N -1 0 330.340 3.507 20 5 EHBDRM CCc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131239542 1015192038 /nfs/dbraw/zinc/19/20/38/1015192038.db2.gz LMNHDENCNNLBDM-UHFFFAOYSA-N -1 0 340.788 3.611 20 5 EHBDRM 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O=C([O-])c1ccc(Nc2cc(F)cc(F)c2Cl)cc1[N+](=O)[O-] ZINC001174507155 1132392059 /nfs/dbraw/zinc/39/20/59/1132392059.db2.gz FNKPKCIENJJJNE-UHFFFAOYSA-N -1 0 328.658 3.968 20 5 EHBDRM O=C([O-])c1ccc(Nc2cccc3c2C(=O)CCC3)cc1[N+](=O)[O-] ZINC001174505769 1132392217 /nfs/dbraw/zinc/39/22/17/1132392217.db2.gz MKCQRMUNIPEBEJ-UHFFFAOYSA-N -1 0 326.308 3.556 20 5 EHBDRM Nc1cncc(S(=O)(=O)[N-]c2cc3ccccc3c3ccccc23)c1 ZINC001175111877 1132557111 /nfs/dbraw/zinc/55/71/11/1132557111.db2.gz FXHXUQCTRPFIDD-UHFFFAOYSA-N -1 0 349.415 3.771 20 5 EHBDRM COc1ccc2cc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])ccc2c1 ZINC000804307326 1132665676 /nfs/dbraw/zinc/66/56/76/1132665676.db2.gz APLQRYOPNZGYTO-UHFFFAOYSA-N -1 0 338.319 3.715 20 5 EHBDRM COc1ccc2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2c1 ZINC000804308583 1132670271 /nfs/dbraw/zinc/67/02/71/1132670271.db2.gz XFAHCHFSXUOLHT-UHFFFAOYSA-N -1 0 338.319 3.715 20 5 EHBDRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000769247128 1133250692 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ZINC000871878597 1137561982 /nfs/dbraw/zinc/56/19/82/1137561982.db2.gz PPCNXNBXFATLCM-UHFFFAOYSA-N -1 0 328.368 3.923 20 5 EHBDRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331783089 1137920399 /nfs/dbraw/zinc/92/03/99/1137920399.db2.gz IDBHIDNBZGJMKZ-CQSZACIVSA-N -1 0 344.367 3.645 20 5 EHBDRM CC1(C)CC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccc21 ZINC000332299301 1137938969 /nfs/dbraw/zinc/93/89/69/1137938969.db2.gz DUMLPLJSAXLJQA-OAHLLOKOSA-N -1 0 340.379 3.843 20 5 EHBDRM O=C(Nc1ccccc1N1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269264668 1141086086 /nfs/dbraw/zinc/08/60/86/1141086086.db2.gz CNEVXFOCMMNGCS-UHFFFAOYSA-N -1 0 341.367 3.543 20 5 EHBDRM CC(C)Oc1ccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000736493719 599804633 /nfs/dbraw/zinc/80/46/33/599804633.db2.gz BLIJFWYDWZCUEA-UHFFFAOYSA-N -1 0 331.324 3.659 20 5 EHBDRM O=C([O-])c1cc(NC(=O)c2cc3sccc3s2)cc([N+](=O)[O-])c1 ZINC000740089988 600188332 /nfs/dbraw/zinc/18/83/32/600188332.db2.gz HOHLUVGYFWJJJJ-UHFFFAOYSA-N -1 0 348.361 3.822 20 5 EHBDRM CC(=O)c1ccc(Nc2ccc(CN(C)C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000736193006 600312131 /nfs/dbraw/zinc/31/21/31/600312131.db2.gz ZGNJYORPVZKUKP-UHFFFAOYSA-N -1 0 343.339 3.651 20 5 EHBDRM CC(=O)c1ccc(NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000736192854 600364162 /nfs/dbraw/zinc/36/41/62/600364162.db2.gz XXFXKBOTEYMIDK-UHFFFAOYSA-N -1 0 343.339 3.542 20 5 EHBDRM Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC000738233612 600521989 /nfs/dbraw/zinc/52/19/89/600521989.db2.gz FKPDMPKXZFACMM-UHFFFAOYSA-N -1 0 348.380 3.579 20 5 EHBDRM O=C([O-])c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000833326044 600693489 /nfs/dbraw/zinc/69/34/89/600693489.db2.gz DYOFOJTWKJTLPP-UHFFFAOYSA-N -1 0 345.698 3.663 20 5 EHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)[O-])c(F)c1 ZINC000827058772 602304693 /nfs/dbraw/zinc/30/46/93/602304693.db2.gz VURXEMLMYZPWPJ-UHFFFAOYSA-N -1 0 348.330 3.831 20 5 EHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000738146576 602969191 /nfs/dbraw/zinc/96/91/91/602969191.db2.gz SKDLOGKZCSPSLY-UHFFFAOYSA-N -1 0 348.336 3.626 20 5 EHBDRM Cc1sc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000830955939 603190847 /nfs/dbraw/zinc/19/08/47/603190847.db2.gz BUDODGYSCKGIOL-MRVPVSSYSA-N -1 0 349.368 3.546 20 5 EHBDRM Cc1cc([C@H](C)OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)oc1C(=O)[O-] ZINC000832875748 604547076 /nfs/dbraw/zinc/54/70/76/604547076.db2.gz OCGVCFGYHXPPFF-OFSNVTPPSA-N -1 0 345.307 3.512 20 5 EHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000833308188 604648751 /nfs/dbraw/zinc/64/87/51/604648751.db2.gz YUMNMYVFRKNBKM-SSDOTTSWSA-N -1 0 334.706 3.936 20 5 EHBDRM