smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC001306998616 1069696698 /nfs/dbraw/zinc/69/66/98/1069696698.db2.gz CADGQJSBXAUZJJ-UHFFFAOYSA-N -1 1 459.455 3.933 20 5 JHBDMM O=C([N-][C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001307921446 1070243205 /nfs/dbraw/zinc/24/32/05/1070243205.db2.gz XKQFRMNPSPLLKE-IRXDYDNUSA-N -1 1 455.408 3.649 20 5 JHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)c(Cl)cc1Cl ZINC001309295809 1070678049 /nfs/dbraw/zinc/67/80/49/1070678049.db2.gz FGJCFYYFGPSONC-VIFPVBQESA-N -1 1 451.719 3.507 20 5 JHBDMM CC(C)(COc1ccc(C(F)(F)F)cn1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309330532 1070703735 /nfs/dbraw/zinc/70/37/35/1070703735.db2.gz HWYISVMOKNJUOL-UHFFFAOYSA-N -1 1 453.826 3.798 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639288 1070895802 /nfs/dbraw/zinc/89/58/02/1070895802.db2.gz PTXNYCGFHXOTPT-WBVHZDCISA-N -1 1 450.488 3.891 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639285 1070896398 /nfs/dbraw/zinc/89/63/98/1070896398.db2.gz PTXNYCGFHXOTPT-NVXWUHKLSA-N -1 1 450.488 3.891 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)n2cccn2)cc1Cl ZINC001309266139 1070656097 /nfs/dbraw/zinc/65/60/97/1070656097.db2.gz DFAMPCVDOKMOOM-MRXNPFEDSA-N -1 1 459.286 3.805 20 5 JHBDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001309418309 1070757835 /nfs/dbraw/zinc/75/78/35/1070757835.db2.gz MUTQYXXEHCJDHV-WDEREUQCSA-N -1 1 451.904 3.502 20 5 JHBDMM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001309139270 1070562488 /nfs/dbraw/zinc/56/24/88/1070562488.db2.gz PUSVPDAXVIPLNS-UHFFFAOYSA-N -1 1 452.872 3.958 20 5 JHBDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001309418308 1070757802 /nfs/dbraw/zinc/75/78/02/1070757802.db2.gz MUTQYXXEHCJDHV-QWRGUYRKSA-N -1 1 451.904 3.502 20 5 JHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c(Cl)cc1Cl ZINC001309553921 1070852639 /nfs/dbraw/zinc/85/26/39/1070852639.db2.gz UZOHQPWOVNWJJJ-CYBMUJFWSA-N -1 1 459.229 3.932 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCc1ccnc2ccccc12 ZINC001309667026 1070912573 /nfs/dbraw/zinc/91/25/73/1070912573.db2.gz WWVKCJYWEVZNPB-UHFFFAOYSA-N -1 1 454.277 3.566 20 5 JHBDMM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc(F)c1 ZINC001309025931 1070492892 /nfs/dbraw/zinc/49/28/92/1070492892.db2.gz SPKZPOJAWUPLSS-INIZCTEOSA-N -1 1 459.286 3.842 20 5 JHBDMM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001309277899 1070664047 /nfs/dbraw/zinc/66/40/47/1070664047.db2.gz HMWZLKVRQFBNOY-SNVBAGLBSA-N -1 1 456.343 3.877 20 5 JHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)c(Cl)cc1Cl ZINC001309295808 1070678020 /nfs/dbraw/zinc/67/80/20/1070678020.db2.gz FGJCFYYFGPSONC-SECBINFHSA-N -1 1 451.719 3.507 20 5 JHBDMM CC(C)(C)OC(=O)N1CC[C@](C)([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC001309706768 1070933996 /nfs/dbraw/zinc/93/39/96/1070933996.db2.gz NDCOTSYLFZEGAS-INIZCTEOSA-N -1 1 454.332 3.579 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F ZINC001309178434 1070587410 /nfs/dbraw/zinc/58/74/10/1070587410.db2.gz IWKVMVOUKLVTHT-OAHLLOKOSA-N -1 1 459.902 3.778 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC001309186033 1070592444 /nfs/dbraw/zinc/59/24/44/1070592444.db2.gz KBMGHKFZWCOHFL-INIZCTEOSA-N -1 1 453.492 3.587 20 5 JHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC001309545897 1070844071 /nfs/dbraw/zinc/84/40/71/1070844071.db2.gz DIYNNLUVYWTIJQ-GFCCVEGCSA-N -1 1 451.302 3.583 20 5 JHBDMM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 ZINC001309587120 1070871077 /nfs/dbraw/zinc/87/10/77/1070871077.db2.gz VKLWAZLJOODCFF-AAEUAGOBSA-N -1 1 459.293 3.587 20 5 JHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC001309408377 1070751358 /nfs/dbraw/zinc/75/13/58/1070751358.db2.gz NTFYIQPQJMMLJX-AMIZOPFISA-N -1 1 451.250 3.664 20 5 JHBDMM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CN1C ZINC001164636365 719235529 /nfs/dbraw/zinc/23/55/29/719235529.db2.gz JWXRHHWVQBAREB-ZIAGYGMSSA-N -1 1 490.973 3.521 20 5 JHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3F)C2)c(Cl)cc1Cl ZINC001309162504 1070578972 /nfs/dbraw/zinc/57/89/72/1070578972.db2.gz METUNZGXOPWGFD-JTQLQIEISA-N -1 1 452.266 3.737 20 5 JHBDMM CC(C)(C)OC(=O)NCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC001309194387 1070596857 /nfs/dbraw/zinc/59/68/57/1070596857.db2.gz RJNIEWRQQPMDIJ-UHFFFAOYSA-N -1 1 451.904 3.503 20 5 JHBDMM C[C@@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001309529822 1070830946 /nfs/dbraw/zinc/83/09/46/1070830946.db2.gz UZIVCBVCLDIQNS-JTQLQIEISA-N -1 1 456.348 3.873 20 5 JHBDMM O=[N+]([O-])c1cccc([C@H]([N-]S(=O)(=O)c2cnc3[nH]ccc(Cl)c2-3)C(F)(F)F)c1F ZINC001309586592 1070870198 /nfs/dbraw/zinc/87/01/98/1070870198.db2.gz GRSHFRTVVXYTAQ-ZDUSSCGKSA-N -1 1 452.773 3.846 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC[C@H]1CC1(Cl)Cl ZINC001309637454 1070895206 /nfs/dbraw/zinc/89/52/06/1070895206.db2.gz RTLHQAWWSCPOMU-ZETCQYMHSA-N -1 1 450.113 3.749 20 5 JHBDMM O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCCCc2ccccc21 ZINC001309915965 1071016507 /nfs/dbraw/zinc/01/65/07/1071016507.db2.gz WSYJMSWHXFPETO-UHFFFAOYSA-N -1 1 458.323 3.549 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(COCC(F)(F)F)cc2)cc1Cl ZINC001309034751 1070499227 /nfs/dbraw/zinc/49/92/27/1070499227.db2.gz OIGBNGDTIAKYEE-UHFFFAOYSA-N -1 1 456.801 3.945 20 5 JHBDMM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(Cl)c1 ZINC001309104154 1070542579 /nfs/dbraw/zinc/54/25/79/1070542579.db2.gz BHGDENNOZUNOPT-UHFFFAOYSA-N -1 1 452.703 3.780 20 5 JHBDMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1(C)C ZINC001309275278 1070662631 /nfs/dbraw/zinc/66/26/31/1070662631.db2.gz QWCQWIIOIBDTOA-GJZGRUSLSA-N -1 1 453.330 3.759 20 5 JHBDMM CC(C)(C)OC(=O)N1CC[C@@](C)([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC001309706769 1070933857 /nfs/dbraw/zinc/93/38/57/1070933857.db2.gz NDCOTSYLFZEGAS-MRXNPFEDSA-N -1 1 454.332 3.579 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F ZINC001309178433 1070587632 /nfs/dbraw/zinc/58/76/32/1070587632.db2.gz IWKVMVOUKLVTHT-HNNXBMFYSA-N -1 1 459.902 3.778 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Br)cc1F ZINC001309172882 1070583962 /nfs/dbraw/zinc/58/39/62/1070583962.db2.gz GHCBTPJRKSVHCC-UHFFFAOYSA-N -1 1 455.664 3.810 20 5 JHBDMM CCCC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309298411 1070680159 /nfs/dbraw/zinc/68/01/59/1070680159.db2.gz XORKIXDHOGVDMD-LLVKDONJSA-N -1 1 453.920 3.749 20 5 JHBDMM O=[N+]([O-])c1cccc([C@@H]([N-]S(=O)(=O)c2cnc3[nH]ccc(Cl)c2-3)C(F)(F)F)c1F ZINC001309586588 1070870667 /nfs/dbraw/zinc/87/06/67/1070870667.db2.gz GRSHFRTVVXYTAQ-CYBMUJFWSA-N -1 1 452.773 3.846 20 5 JHBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC001309664232 1070910456 /nfs/dbraw/zinc/91/04/56/1070910456.db2.gz UQQPZKCYGAYWFZ-ZDUSSCGKSA-N -1 1 450.357 3.782 20 5 JHBDMM CCOc1cc(N2CCN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)CC2)ccc1[N+](=O)[O-] ZINC001306836139 1069651082 /nfs/dbraw/zinc/65/10/82/1069651082.db2.gz DEBQRMFNSJEWFQ-UHFFFAOYSA-N -1 1 456.886 3.863 20 5 JHBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(C(F)(F)F)cc1 ZINC001309004783 1070478250 /nfs/dbraw/zinc/47/82/50/1070478250.db2.gz WAWPPAMLAYRLEP-UHFFFAOYSA-N -1 1 453.236 3.897 20 5 JHBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC001309286718 1070670447 /nfs/dbraw/zinc/67/04/47/1070670447.db2.gz IQLUEPBWPOKLRC-CYBMUJFWSA-N -1 1 458.895 3.590 20 5 JHBDMM Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)cc1C ZINC001309435237 1070767766 /nfs/dbraw/zinc/76/77/66/1070767766.db2.gz GIYMRQQPUJAHQY-CYBMUJFWSA-N -1 1 458.323 3.990 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC[C@@H]1CC1(Cl)Cl ZINC001309637449 1070894411 /nfs/dbraw/zinc/89/44/11/1070894411.db2.gz RTLHQAWWSCPOMU-SSDOTTSWSA-N -1 1 450.113 3.749 20 5 JHBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC001309664231 1070910355 /nfs/dbraw/zinc/91/03/55/1070910355.db2.gz UQQPZKCYGAYWFZ-CYBMUJFWSA-N -1 1 450.357 3.782 20 5 JHBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001310595340 1069039639 /nfs/dbraw/zinc/03/96/39/1069039639.db2.gz UUXNHTQDTWWNPD-GFCCVEGCSA-N -1 1 452.389 3.808 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(c3ccc4c(c3)OCCO4)CCCC2)cc1F ZINC001309048366 1070507048 /nfs/dbraw/zinc/50/70/48/1070507048.db2.gz DDCWHDRZNMZIAH-UHFFFAOYSA-N -1 1 450.488 3.604 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1F ZINC001309053521 1070510371 /nfs/dbraw/zinc/51/03/71/1070510371.db2.gz PERLKBZEDNTOIV-QGZVFWFLSA-N -1 1 459.902 3.950 20 5 JHBDMM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309156340 1070574247 /nfs/dbraw/zinc/57/42/47/1070574247.db2.gz IOHNHZQDLGIZGO-SFHVURJKSA-N -1 1 459.911 3.777 20 5 JHBDMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309179504 1070588007 /nfs/dbraw/zinc/58/80/07/1070588007.db2.gz VYHPLUHTKBZEPR-LLVKDONJSA-N -1 1 453.920 3.605 20 5 JHBDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001309418306 1070757685 /nfs/dbraw/zinc/75/76/85/1070757685.db2.gz MUTQYXXEHCJDHV-GHMZBOCLSA-N -1 1 451.904 3.502 20 5 JHBDMM Cc1cc(C2([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CCCCC2)ccc1Br ZINC001309590992 1070872471 /nfs/dbraw/zinc/87/24/71/1070872471.db2.gz MEKGTPXFUQBMPW-UHFFFAOYSA-N -1 1 457.350 3.537 20 5 JHBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001309763154 1070958716 /nfs/dbraw/zinc/95/87/16/1070958716.db2.gz FORHMIWOJOLAEK-APHBMKBZSA-N -1 1 488.157 3.736 20 5 JHBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1C(F)(F)F ZINC001309891527 1071007499 /nfs/dbraw/zinc/00/74/99/1071007499.db2.gz LGOPIFGEZFENAQ-LBPRGKRZSA-N -1 1 458.336 3.644 20 5 JHBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CO)c1ccccc1C(F)(F)F ZINC001309891526 1071007838 /nfs/dbraw/zinc/00/78/38/1071007838.db2.gz LGOPIFGEZFENAQ-GFCCVEGCSA-N -1 1 458.336 3.644 20 5 JHBDMM COc1ccc(NC(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC001310465398 1071407340 /nfs/dbraw/zinc/40/73/40/1071407340.db2.gz KMJTYCUWWCLYBG-GFCCVEGCSA-N -1 1 452.389 3.808 20 5 JHBDMM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC1 ZINC001309011371 1070483281 /nfs/dbraw/zinc/48/32/81/1070483281.db2.gz FPVWGAGYWNMRSA-KRWDZBQOSA-N -1 1 457.911 3.511 20 5 JHBDMM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC001309439032 1070771109 /nfs/dbraw/zinc/77/11/09/1070771109.db2.gz HLEVIBWPUQYOTH-CQSZACIVSA-N -1 1 453.920 3.605 20 5 JHBDMM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(Cl)c1OC ZINC001309533493 1070834188 /nfs/dbraw/zinc/83/41/88/1070834188.db2.gz IXGYLNBANPRTMH-UHFFFAOYSA-N -1 1 453.275 3.579 20 5 JHBDMM CC(C)(C)OC(=O)[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001309646106 1070899946 /nfs/dbraw/zinc/89/99/46/1070899946.db2.gz AEQYNVMLCRAQAE-FQEVSTJZSA-N -1 1 454.932 3.826 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639286 1070896240 /nfs/dbraw/zinc/89/62/40/1070896240.db2.gz PTXNYCGFHXOTPT-RDJZCZTQSA-N -1 1 450.488 3.891 20 5 JHBDMM Cc1c(Br)cccc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309838991 1070991852 /nfs/dbraw/zinc/99/18/52/1070991852.db2.gz QAHJCBWQDOUWPM-UHFFFAOYSA-N -1 1 451.701 3.979 20 5 JHBDMM C[C@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC001164636358 719235701 /nfs/dbraw/zinc/23/57/01/719235701.db2.gz JWXRHHWVQBAREB-KBPBESRZSA-N -1 1 490.973 3.521 20 5 JHBDMM O=C([N-][C@@H]1CCO[C@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)C(F)(F)F ZINC001307765992 1070174407 /nfs/dbraw/zinc/17/44/07/1070174407.db2.gz NAHCQRZXBSSPLZ-CVEARBPZSA-N -1 1 469.382 3.662 20 5 JHBDMM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001308013132 1070279803 /nfs/dbraw/zinc/27/98/03/1070279803.db2.gz ZYJHNHBCAXCHCK-CYBMUJFWSA-N -1 1 453.326 3.752 20 5 JHBDMM CCCC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309298413 1070680189 /nfs/dbraw/zinc/68/01/89/1070680189.db2.gz XORKIXDHOGVDMD-NSHDSACASA-N -1 1 453.920 3.749 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCc1nc(-c2ccccn2)cs1 ZINC001309831934 1070988671 /nfs/dbraw/zinc/98/86/71/1070988671.db2.gz BYCIRTXXIHKNDO-UHFFFAOYSA-N -1 1 456.908 3.817 20 5 JHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c(F)cc1Cl ZINC001309256184 1070649011 /nfs/dbraw/zinc/64/90/11/1070649011.db2.gz ZIGVPKKCZPLFFO-UHFFFAOYSA-N -1 1 458.895 3.865 20 5 JHBDMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1(C)C ZINC001309275279 1070662651 /nfs/dbraw/zinc/66/26/51/1070662651.db2.gz QWCQWIIOIBDTOA-HUUCEWRRSA-N -1 1 453.330 3.759 20 5 JHBDMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001309277898 1070664096 /nfs/dbraw/zinc/66/40/96/1070664096.db2.gz HMWZLKVRQFBNOY-JTQLQIEISA-N -1 1 456.343 3.877 20 5 JHBDMM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309383682 1070737209 /nfs/dbraw/zinc/73/72/09/1070737209.db2.gz KBONVFRPLOOFNX-YOEHRIQHSA-N -1 1 452.916 3.578 20 5 JHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1Cl ZINC001309408378 1070751179 /nfs/dbraw/zinc/75/11/79/1070751179.db2.gz NTFYIQPQJMMLJX-ISVAXAHUSA-N -1 1 451.250 3.664 20 5 JHBDMM CC(C)(C)OC(=O)[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001309646107 1070900228 /nfs/dbraw/zinc/90/02/28/1070900228.db2.gz AEQYNVMLCRAQAE-HXUWFJFHSA-N -1 1 454.932 3.826 20 5 JHBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001310595341 1069039591 /nfs/dbraw/zinc/03/95/91/1069039591.db2.gz UUXNHTQDTWWNPD-LBPRGKRZSA-N -1 1 452.389 3.808 20 5 JHBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC001309100069 1070539690 /nfs/dbraw/zinc/53/96/90/1070539690.db2.gz LKRNNUBMAKCUNC-UHFFFAOYSA-N -1 1 453.236 3.897 20 5 JHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC001309408379 1070751380 /nfs/dbraw/zinc/75/13/80/1070751380.db2.gz NTFYIQPQJMMLJX-OQPBUACISA-N -1 1 451.250 3.664 20 5 JHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC001309545898 1070844314 /nfs/dbraw/zinc/84/43/14/1070844314.db2.gz DIYNNLUVYWTIJQ-LBPRGKRZSA-N -1 1 451.302 3.583 20 5 JHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001309969722 1071032088 /nfs/dbraw/zinc/03/20/88/1071032088.db2.gz WJLMBHPYGVTJRI-AWEZNQCLSA-N -1 1 459.229 3.630 20 5 JHBDMM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001308013133 1070280056 /nfs/dbraw/zinc/28/00/56/1070280056.db2.gz ZYJHNHBCAXCHCK-ZDUSSCGKSA-N -1 1 453.326 3.752 20 5 JHBDMM CCOc1c(Cl)cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1OC ZINC001309078226 1070526680 /nfs/dbraw/zinc/52/66/80/1070526680.db2.gz KZKOZECNZPGFFM-UHFFFAOYSA-N -1 1 453.275 3.927 20 5 JHBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC001309286719 1070670339 /nfs/dbraw/zinc/67/03/39/1070670339.db2.gz IQLUEPBWPOKLRC-ZDUSSCGKSA-N -1 1 458.895 3.590 20 5 JHBDMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1(C)C ZINC001309275280 1070662709 /nfs/dbraw/zinc/66/27/09/1070662709.db2.gz QWCQWIIOIBDTOA-LSDHHAIUSA-N -1 1 453.330 3.759 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC001309312173 1070691259 /nfs/dbraw/zinc/69/12/59/1070691259.db2.gz KURHTTOISJLBTB-NSHDSACASA-N -1 1 451.314 3.657 20 5 JHBDMM CCOC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001314044636 1071857474 /nfs/dbraw/zinc/85/74/74/1071857474.db2.gz XZGLNFZTFAFSQG-UHFFFAOYSA-N -1 1 498.506 3.563 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC001309061963 1070515688 /nfs/dbraw/zinc/51/56/88/1070515688.db2.gz ZRKRZQKEQGETEB-UHFFFAOYSA-N -1 1 456.805 3.582 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)cc1Cl ZINC001309153489 1070572199 /nfs/dbraw/zinc/57/21/99/1070572199.db2.gz DWUAGJDNHULXDS-UHFFFAOYSA-N -1 1 456.908 3.817 20 5 JHBDMM CCCC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309296149 1070677995 /nfs/dbraw/zinc/67/79/95/1070677995.db2.gz HMOKAONUSAMIDR-LLVKDONJSA-N -1 1 453.920 3.749 20 5 JHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)c(Cl)cc1Cl ZINC001309553922 1070852837 /nfs/dbraw/zinc/85/28/37/1070852837.db2.gz UZOHQPWOVNWJJJ-ZDUSSCGKSA-N -1 1 459.229 3.932 20 5 JHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3F)C2)c(Cl)cc1Cl ZINC001309162505 1070579047 /nfs/dbraw/zinc/57/90/47/1070579047.db2.gz METUNZGXOPWGFD-SNVBAGLBSA-N -1 1 452.266 3.737 20 5 JHBDMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309179505 1070587965 /nfs/dbraw/zinc/58/79/65/1070587965.db2.gz VYHPLUHTKBZEPR-NSHDSACASA-N -1 1 453.920 3.605 20 5 JHBDMM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC001309719282 1070938243 /nfs/dbraw/zinc/93/82/43/1070938243.db2.gz AOZWPSANXXTCQE-UHFFFAOYSA-N -1 1 457.386 3.756 20 5 JHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001306800106 1069604958 /nfs/dbraw/zinc/60/49/58/1069604958.db2.gz WDEJHKMJEKKVRR-OAQYLSRUSA-N -1 1 452.898 3.896 20 5 JHBDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001312079949 1069710857 /nfs/dbraw/zinc/71/08/57/1069710857.db2.gz UTBQXQLUVMYKNX-UHFFFAOYSA-N -1 1 454.508 3.737 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(OCc2ccccn2)cc1 ZINC001309080988 1070528293 /nfs/dbraw/zinc/52/82/93/1070528293.db2.gz IGRYYTNZPBITER-UHFFFAOYSA-N -1 1 451.863 3.840 20 5 JHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2cccc(Br)c2)CCCCC1 ZINC001309254321 1070647548 /nfs/dbraw/zinc/64/75/48/1070647548.db2.gz JZZXBBZXFFMWJQ-UHFFFAOYSA-N -1 1 454.346 3.933 20 5 JHBDMM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309383674 1070737337 /nfs/dbraw/zinc/73/73/37/1070737337.db2.gz KBONVFRPLOOFNX-PBHICJAKSA-N -1 1 452.916 3.578 20 5 JHBDMM C[C@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001309529825 1070830802 /nfs/dbraw/zinc/83/08/02/1070830802.db2.gz UZIVCBVCLDIQNS-SNVBAGLBSA-N -1 1 456.348 3.873 20 5 JHBDMM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc(F)c1 ZINC001309025932 1070492835 /nfs/dbraw/zinc/49/28/35/1070492835.db2.gz SPKZPOJAWUPLSS-MRXNPFEDSA-N -1 1 459.286 3.842 20 5 JHBDMM CCC(CC)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309193529 1070596525 /nfs/dbraw/zinc/59/65/25/1070596525.db2.gz HIKMPFFGBZOAJL-UHFFFAOYSA-N -1 1 453.920 3.749 20 5 JHBDMM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309383676 1070737161 /nfs/dbraw/zinc/73/71/61/1070737161.db2.gz KBONVFRPLOOFNX-RHSMWYFYSA-N -1 1 452.916 3.578 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001309578533 1070866687 /nfs/dbraw/zinc/86/66/87/1070866687.db2.gz ZSBLXJUPUBOLJO-SWLSCSKDSA-N -1 1 481.855 3.696 20 5 JHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccc(C)o2)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC001309628179 1070890613 /nfs/dbraw/zinc/89/06/13/1070890613.db2.gz LXVUPSPGBALIDJ-HNNXBMFYSA-N -1 1 450.391 3.563 20 5 JHBDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C2 ZINC001309925063 1071018881 /nfs/dbraw/zinc/01/88/81/1071018881.db2.gz SYATVKPFRSCPNH-WQAKAFBOSA-N -1 1 466.343 3.720 20 5 JHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001309969724 1071032162 /nfs/dbraw/zinc/03/21/62/1071032162.db2.gz WJLMBHPYGVTJRI-CQSZACIVSA-N -1 1 459.229 3.630 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC001309452134 1070778772 /nfs/dbraw/zinc/77/87/72/1070778772.db2.gz JCNJPEAJMXRERA-JMCQJSRRSA-N -1 1 451.220 3.609 20 5 JHBDMM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC001164636361 719235360 /nfs/dbraw/zinc/23/53/60/719235360.db2.gz JWXRHHWVQBAREB-KGLIPLIRSA-N -1 1 490.973 3.521 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC001309186034 1070592510 /nfs/dbraw/zinc/59/25/10/1070592510.db2.gz KBMGHKFZWCOHFL-MRXNPFEDSA-N -1 1 453.492 3.587 20 5 JHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccc(C)o2)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC001309628180 1070890642 /nfs/dbraw/zinc/89/06/42/1070890642.db2.gz LXVUPSPGBALIDJ-OAHLLOKOSA-N -1 1 450.391 3.563 20 5 JHBDMM CN(Cc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001309647917 1070900997 /nfs/dbraw/zinc/90/09/97/1070900997.db2.gz KNLQMQBLCCGREG-UHFFFAOYSA-N -1 1 453.492 3.579 20 5 JHBDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001306672798 1069398408 /nfs/dbraw/zinc/39/84/08/1069398408.db2.gz NYBMPFIKNNHYEX-UHFFFAOYSA-N -1 1 455.467 3.999 20 5 JHBDMM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC1 ZINC001309011373 1070483386 /nfs/dbraw/zinc/48/33/86/1070483386.db2.gz FPVWGAGYWNMRSA-QGZVFWFLSA-N -1 1 457.911 3.511 20 5 JHBDMM CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC001309338164 1070708370 /nfs/dbraw/zinc/70/83/70/1070708370.db2.gz RWTJDTJHKWHFJG-UHFFFAOYSA-N -1 1 454.332 3.627 20 5 JHBDMM O=C1[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCN1C1CCCCC1 ZINC001309404396 1070749470 /nfs/dbraw/zinc/74/94/70/1070749470.db2.gz DTBGWOUGCLGGLD-AWEZNQCLSA-N -1 1 450.344 3.504 20 5 JHBDMM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309156339 1070574055 /nfs/dbraw/zinc/57/40/55/1070574055.db2.gz IOHNHZQDLGIZGO-GOSISDBHSA-N -1 1 459.911 3.777 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)n2cccn2)cc1Cl ZINC001309266138 1070656196 /nfs/dbraw/zinc/65/61/96/1070656196.db2.gz DFAMPCVDOKMOOM-INIZCTEOSA-N -1 1 459.286 3.805 20 5 JHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001310476613 1071418462 /nfs/dbraw/zinc/41/84/62/1071418462.db2.gz YEDCVMBNIYFPPV-UHFFFAOYSA-N -1 1 452.492 3.986 20 5 JHBDMM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309383678 1070737187 /nfs/dbraw/zinc/73/71/87/1070737187.db2.gz KBONVFRPLOOFNX-WMLDXEAASA-N -1 1 452.916 3.578 20 5 JHBDMM O=C1[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCN1C1CCCCC1 ZINC001309404397 1070749697 /nfs/dbraw/zinc/74/96/97/1070749697.db2.gz DTBGWOUGCLGGLD-CQSZACIVSA-N -1 1 450.344 3.504 20 5 JHBDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001309418307 1070757666 /nfs/dbraw/zinc/75/76/66/1070757666.db2.gz MUTQYXXEHCJDHV-MNOVXSKESA-N -1 1 451.904 3.502 20 5 JHBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(Cl)c(F)c1 ZINC001309502299 1070814264 /nfs/dbraw/zinc/81/42/64/1070814264.db2.gz WZXMPEXIHFSTFI-UHFFFAOYSA-N -1 1 453.673 3.507 20 5 JHBDMM COc1ccc(NC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC001310465399 1071407303 /nfs/dbraw/zinc/40/73/03/1071407303.db2.gz KMJTYCUWWCLYBG-LBPRGKRZSA-N -1 1 452.389 3.808 20 5 JHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001306800105 1069605033 /nfs/dbraw/zinc/60/50/33/1069605033.db2.gz WDEJHKMJEKKVRR-NRFANRHFSA-N -1 1 452.898 3.896 20 5 JHBDMM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1(C)C ZINC001309275277 1070661908 /nfs/dbraw/zinc/66/19/08/1070661908.db2.gz QWCQWIIOIBDTOA-CABCVRRESA-N -1 1 453.330 3.759 20 5 JHBDMM Cc1ccc(CNC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001313156444 1070271850 /nfs/dbraw/zinc/27/18/50/1070271850.db2.gz OWSXTYQRRIYHCR-QZTJIDSGSA-N -1 1 464.444 3.649 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001309562961 1070859580 /nfs/dbraw/zinc/85/95/80/1070859580.db2.gz CPOIJTHROLQYRM-NOZJJQNGSA-N -1 1 465.322 3.757 20 5 JHBDMM CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001306703174 1069439119 /nfs/dbraw/zinc/43/91/19/1069439119.db2.gz PFIXYCXQHPIBGD-UHFFFAOYSA-N -1 1 454.453 3.548 20 5 JHBDMM O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc(I)c([O-])c1 ZINC001306865915 1069666205 /nfs/dbraw/zinc/66/62/05/1069666205.db2.gz RJQBUIHIJPCIMW-UHFFFAOYSA-N -1 1 450.192 3.547 20 5 JHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC001309312172 1070691317 /nfs/dbraw/zinc/69/13/17/1070691317.db2.gz KURHTTOISJLBTB-LLVKDONJSA-N -1 1 451.314 3.657 20 5 JHBDMM Cc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)cc1C ZINC001309435238 1070767748 /nfs/dbraw/zinc/76/77/48/1070767748.db2.gz GIYMRQQPUJAHQY-ZDUSSCGKSA-N -1 1 458.323 3.990 20 5 JHBDMM C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001164636363 719235861 /nfs/dbraw/zinc/23/58/61/719235861.db2.gz JWXRHHWVQBAREB-UONOGXRCSA-N -1 1 490.973 3.521 20 5 JHBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001309349817 1070714386 /nfs/dbraw/zinc/71/43/86/1070714386.db2.gz VGUYHEKTHJKLNS-QGZVFWFLSA-N -1 1 458.895 3.824 20 5 JHBDMM COc1c(C[N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)oc2ccccc21 ZINC001309418534 1070757638 /nfs/dbraw/zinc/75/76/38/1070757638.db2.gz ZTUJJWVOBNZWMN-UHFFFAOYSA-N -1 1 455.286 3.899 20 5 JHBDMM CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC001309439031 1070771202 /nfs/dbraw/zinc/77/12/02/1070771202.db2.gz HLEVIBWPUQYOTH-AWEZNQCLSA-N -1 1 453.920 3.605 20 5 JHBDMM CC1(C)OC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)O1 ZINC001309817135 1070981442 /nfs/dbraw/zinc/98/14/42/1070981442.db2.gz RBEMMMDYQFOJDB-RHSMWYFYSA-N -1 1 471.329 3.528 20 5 JHBDMM CCOC(=O)CCc1c(C)nc(SCc2cc([N+](=O)[O-])ccc2Br)[n-]c1=O ZINC001307390267 1069967024 /nfs/dbraw/zinc/96/70/24/1069967024.db2.gz SIQYMCFPSAFQBL-UHFFFAOYSA-N -1 1 456.318 3.949 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1F ZINC001309053519 1070510217 /nfs/dbraw/zinc/51/02/17/1070510217.db2.gz PERLKBZEDNTOIV-KRWDZBQOSA-N -1 1 459.902 3.950 20 5 JHBDMM CCCC[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309296151 1070678839 /nfs/dbraw/zinc/67/88/39/1070678839.db2.gz HMOKAONUSAMIDR-NSHDSACASA-N -1 1 453.920 3.749 20 5 JHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1Cl ZINC001309408380 1070751400 /nfs/dbraw/zinc/75/14/00/1070751400.db2.gz NTFYIQPQJMMLJX-SDBXPKJASA-N -1 1 451.250 3.664 20 5 JHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639283 1070896198 /nfs/dbraw/zinc/89/61/98/1070896198.db2.gz PTXNYCGFHXOTPT-DOTOQJQBSA-N -1 1 450.488 3.891 20 5 JHBDMM