smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000747106159 836216686 /nfs/dbraw/zinc/21/66/86/836216686.db2.gz LARASDFPMJZDSY-HNNXBMFYSA-N -1 0 369.399 0.967 20 5 FCBDRM COc1cc(C)[nH]c(=NNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000747617587 836253308 /nfs/dbraw/zinc/25/33/08/836253308.db2.gz RKGSFEAWXNPVNN-UHFFFAOYSA-N -1 0 355.332 0.713 20 5 FCBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000749217212 836349077 /nfs/dbraw/zinc/34/90/77/836349077.db2.gz IZSQTMBXMXHSEU-UHFFFAOYSA-N -1 0 354.344 0.939 20 5 FCBDRM COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(C)C ZINC000750758358 836444448 /nfs/dbraw/zinc/44/44/48/836444448.db2.gz YPILSHIWXOZBLH-JTQLQIEISA-N -1 0 360.348 0.175 20 5 FCBDRM Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750763592 836445839 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CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001593666374 953854165 /nfs/dbraw/zinc/85/41/65/953854165.db2.gz SOEVFHNWLFELMB-SECBINFHSA-N -1 0 353.335 0.007 20 5 FCBDRM O=C([O-])[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCO1 ZINC001594851388 954193907 /nfs/dbraw/zinc/19/39/07/954193907.db2.gz PXAMZYHHMREYPE-HNNXBMFYSA-N -1 0 350.331 0.272 20 5 FCBDRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001593842310 955377895 /nfs/dbraw/zinc/37/78/95/955377895.db2.gz YOJOGDOZVHPAHR-UHFFFAOYSA-N -1 0 374.371 0.850 20 5 FCBDRM COC[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001593966522 956550408 /nfs/dbraw/zinc/55/04/08/956550408.db2.gz LPUWXIGYUALIPK-MRXNPFEDSA-N -1 0 367.358 0.965 20 5 FCBDRM COC[C@]1(C(=O)[O-])CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001593975784 956661480 /nfs/dbraw/zinc/66/14/80/956661480.db2.gz SQUNVDBBFIQKRF-INIZCTEOSA-N -1 0 370.333 0.995 20 5 FCBDRM COC[C@]1(C(=O)[O-])CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC001593976468 956668335 /nfs/dbraw/zinc/66/83/35/956668335.db2.gz XERBBZLYSLGUDO-INIZCTEOSA-N -1 0 352.343 0.774 20 5 FCBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594067604 958151968 /nfs/dbraw/zinc/15/19/68/958151968.db2.gz GDKXGHKRNUGZOB-XPTSAGLGSA-N -1 0 372.355 0.325 20 5 FCBDRM COc1ccc(C(=O)NCC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC001594077425 958230052 /nfs/dbraw/zinc/23/00/52/958230052.db2.gz RZAQSGSQGJFNBS-SECBINFHSA-N -1 0 365.342 0.797 20 5 FCBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594409837 958940513 /nfs/dbraw/zinc/94/05/13/958940513.db2.gz OMKQWOGWDIHQSY-NSHDSACASA-N -1 0 371.371 0.025 20 5 FCBDRM CS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)c([N+](=O)[O-])c1 ZINC001594175377 959039772 /nfs/dbraw/zinc/03/97/72/959039772.db2.gz ZPOIPUZLKVYLEK-UHFFFAOYSA-N -1 0 356.356 0.935 20 5 FCBDRM Cc1c(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC001574297967 960708085 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ZINC000825154736 607645585 /nfs/dbraw/zinc/64/55/85/607645585.db2.gz SMBRXXZIZRZYRT-VIFPVBQESA-N -1 0 370.391 0.604 20 5 FCBDRM CC(C)[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824337637 607663542 /nfs/dbraw/zinc/66/35/42/607663542.db2.gz FDYFSHQAVNLXKP-MRVPVSSYSA-N -1 0 356.364 0.070 20 5 FCBDRM C[C@@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824402149 607668622 /nfs/dbraw/zinc/66/86/22/607668622.db2.gz VBDFHWKGOXOLTA-QMMMGPOBSA-N -1 0 356.364 0.214 20 5 FCBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000832919891 604364240 /nfs/dbraw/zinc/36/42/40/604364240.db2.gz YIZXKEOSBVOBIF-UHFFFAOYSA-N -1 0 354.344 0.776 20 5 FCBDRM O=C([O-])C[C@@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000833207943 604601256 /nfs/dbraw/zinc/60/12/56/604601256.db2.gz PWZOIPDFTKPAGI-VIFPVBQESA-N -1 0 361.310 0.657 20 5 FCBDRM O=C([O-])N1CC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000831847765 604610308 /nfs/dbraw/zinc/61/03/08/604610308.db2.gz 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O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000862582100 672051833 /nfs/dbraw/zinc/05/18/33/672051833.db2.gz JXFGEGBMLMTEJU-QWRGUYRKSA-N -1 0 368.733 0.317 20 5 FCBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863418988 672124506 /nfs/dbraw/zinc/12/45/06/672124506.db2.gz MYURAVCWKBYCFB-JTQLQIEISA-N -1 0 362.360 0.760 20 5 FCBDRM O=C([O-])CS[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F ZINC000864221967 672181442 /nfs/dbraw/zinc/18/14/42/672181442.db2.gz OKJXWZCCHDSQMD-RXMQYKEDSA-N -1 0 357.270 0.051 20 5 FCBDRM O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000132885645 673397549 /nfs/dbraw/zinc/39/75/49/673397549.db2.gz UHGPFVOXURPUSE-UHFFFAOYSA-N -1 0 360.298 0.716 20 5 FCBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)ccc1[N+](=O)[O-] ZINC000802206579 675834170 /nfs/dbraw/zinc/83/41/70/675834170.db2.gz IRPCKKGEZGGTMI-UHFFFAOYSA-N -1 0 366.355 0.865 20 5 FCBDRM Cn1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000548518697 1171434480 /nfs/dbraw/zinc/43/44/80/1171434480.db2.gz WBFRYBJZUGSSQF-UHFFFAOYSA-N -1 0 373.325 0.442 20 5 FCBDRM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2c([N+](=O)[O-])cnn2C)C1=O ZINC000777521036 1211467186 /nfs/dbraw/zinc/46/71/86/1211467186.db2.gz KYPNJYPWNFGMOW-INIZCTEOSA-N -1 0 372.341 0.830 20 5 FCBDRM Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1[O-] ZINC000963961036 1214879052 /nfs/dbraw/zinc/87/90/52/1214879052.db2.gz YFUNEVPWXMOYTH-DDHJBXDOSA-N -1 0 365.390 0.494 20 5 FCBDRM Cc1cc2nc3nc(=O)[n-]c(OC(=O)[C@H](O)CC(=O)[O-])c3nc2cc1C ZINC001228683797 1225944392 /nfs/dbraw/zinc/94/43/92/1225944392.db2.gz CUXBVCVKFMSALQ-SNVBAGLBSA-N -1 0 358.310 0.636 20 5 FCBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cn1 ZINC001338945415 1268125902 /nfs/dbraw/zinc/12/59/02/1268125902.db2.gz ZHZUBTWADVRXMP-UHFFFAOYSA-N -1 0 353.360 0.735 20 5 FCBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@H]2c2cn[nH]n2)ccc1[O-] ZINC001578047648 1275338572 /nfs/dbraw/zinc/33/85/72/1275338572.db2.gz JLOQVQQVQDMWHN-NSHDSACASA-N -1 0 355.332 0.181 20 5 FCBDRM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC12CC(C(=O)[O-])C2 ZINC001603365928 1287361534 /nfs/dbraw/zinc/36/15/34/1287361534.db2.gz PLVDJPLIUQVWSP-GYWRDMNDSA-N -1 0 368.386 0.933 20 5 FCBDRM O=C(Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1)N1CCc2ccccc2C1 ZINC001582192335 1281169407 /nfs/dbraw/zinc/16/94/07/1281169407.db2.gz TUUDHICIXHSKAL-UHFFFAOYSA-N -1 0 354.330 0.556 20 5 FCBDRM CC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC001588785866 1282698741 /nfs/dbraw/zinc/69/87/41/1282698741.db2.gz NOXFXCQUPOHLTE-UHFFFAOYSA-N -1 0 352.332 0.175 20 5 FCBDRM C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001588996300 1282761171 /nfs/dbraw/zinc/76/11/71/1282761171.db2.gz PVCWHNZTALANRH-SECBINFHSA-N -1 0 357.334 0.286 20 5 FCBDRM C[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001589029460 1282776782 /nfs/dbraw/zinc/77/67/82/1282776782.db2.gz BEDBDDHUSJMJAQ-SECBINFHSA-N -1 0 358.318 0.713 20 5 FCBDRM C[C@](NC(=O)[C@H]1CCCS(=O)(=O)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604269434 1287596831 /nfs/dbraw/zinc/59/68/31/1287596831.db2.gz PDNBMJSDJOUSDP-ZUZCIYMTSA-N -1 0 370.383 0.836 20 5 FCBDRM C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001589926183 1283135095 /nfs/dbraw/zinc/13/50/95/1283135095.db2.gz WJXQQSVXUNGCQD-MRVPVSSYSA-N -1 0 360.309 0.988 20 5 FCBDRM CC1(C)COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC001590111506 1283223617 /nfs/dbraw/zinc/22/36/17/1283223617.db2.gz NUKJYZICDLOGNF-JTQLQIEISA-N -1 0 368.375 0.478 20 5 FCBDRM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC[C@@H]1O ZINC001590312988 1283458067 /nfs/dbraw/zinc/45/80/67/1283458067.db2.gz NNJDLOAPGMOBEZ-SCZZXKLOSA-N -1 0 368.375 0.166 20 5 FCBDRM CC[C@H](C[C@H](C)O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC001590421388 1283532059 /nfs/dbraw/zinc/53/20/59/1283532059.db2.gz IKUJEMAEMKYOEB-DTWKUNHWSA-N -1 0 370.391 0.603 20 5 FCBDRM CC1(CCNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)OCCO1 ZINC001604571690 1287668605 /nfs/dbraw/zinc/66/86/05/1287668605.db2.gz PXWPOXVBOWLGER-UHFFFAOYSA-N -1 0 360.344 0.724 20 5 FCBDRM CN(C)C(=O)Cc1nc(Cn2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)cs1 ZINC001591004043 1284064656 /nfs/dbraw/zinc/06/46/56/1284064656.db2.gz OQXDAZMPGQWWMT-UHFFFAOYSA-N -1 0 363.363 0.107 20 5 FCBDRM CN(C(=O)COc1cnc(-c2nnn[n-]2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001604641670 1287704735 /nfs/dbraw/zinc/70/47/35/1287704735.db2.gz UJHLFACVGXRTLX-UHFFFAOYSA-N -1 0 356.302 0.607 20 5 FCBDRM COC[C@H]1CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC001591393587 1284532629 /nfs/dbraw/zinc/53/26/29/1284532629.db2.gz DUXPZDCHTTZZRK-MRVPVSSYSA-N -1 0 354.348 0.184 20 5 FCBDRM COc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC001591611224 1284770738 /nfs/dbraw/zinc/77/07/38/1284770738.db2.gz SPHRPQLUPLNKSN-SSDOTTSWSA-N -1 0 359.306 0.575 20 5 FCBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cnc(-c2nnn[n-]2)n1 ZINC001592068800 1285108447 /nfs/dbraw/zinc/10/84/47/1285108447.db2.gz QLTFSZBUMWXQAL-UHFFFAOYSA-N -1 0 358.322 0.497 20 5 FCBDRM C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@H]1CO ZINC001604760447 1287767428 /nfs/dbraw/zinc/76/74/28/1287767428.db2.gz LEMOBAHPCUHGDR-ZJUUUORDSA-N -1 0 358.372 0.932 20 5 FCBDRM Cc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)c(-c2nnn[n-]2)c1C ZINC001592438874 1285370912 /nfs/dbraw/zinc/37/09/12/1285370912.db2.gz RZYZAOGXQVQHNT-UHFFFAOYSA-N -1 0 373.304 0.970 20 5 FCBDRM Cc1nnc(Cn2cc(-c3nnn[n-]3)c(=O)c3cc([N+](=O)[O-])ccc32)o1 ZINC001592443449 1285381117 /nfs/dbraw/zinc/38/11/17/1285381117.db2.gz GVEGIIWDHYXHAJ-UHFFFAOYSA-N -1 0 354.286 0.830 20 5 FCBDRM CCn1ncnc1Cn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609260768 1289026247 /nfs/dbraw/zinc/02/62/47/1289026247.db2.gz QNAYCMULQUQOAM-UHFFFAOYSA-N -1 0 367.329 0.750 20 5 FCBDRM O=C(Cn1cc(-c2nnn[n-]2)c(=O)c2cc([N+](=O)[O-])ccc21)NC1CC1 ZINC001592935775 1285823192 /nfs/dbraw/zinc/82/31/92/1285823192.db2.gz BHEXHPSVTYVXTG-UHFFFAOYSA-N -1 0 355.314 0.368 20 5 FCBDRM CN(CCCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC001609275272 1289040290 /nfs/dbraw/zinc/04/02/90/1289040290.db2.gz RRZPLLPBDKKBJU-UHFFFAOYSA-N -1 0 356.364 0.168 20 5 FCBDRM O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001593112536 1286013067 /nfs/dbraw/zinc/01/30/67/1286013067.db2.gz PCQXRVAUIRJZEQ-UHFFFAOYSA-N -1 0 363.725 0.450 20 5 FCBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)c1-c1nnn[n-]1 ZINC001593485545 1286173479 /nfs/dbraw/zinc/17/34/79/1286173479.db2.gz RBJHUHBEDUHRHE-BDAKNGLRSA-N -1 0 368.375 0.214 20 5 FCBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001593485363 1286174784 /nfs/dbraw/zinc/17/47/84/1286174784.db2.gz OEHVPHKWNINTMQ-DTWKUNHWSA-N -1 0 350.360 0.852 20 5 FCBDRM O=[N+]([O-])c1cccnc1N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001593486839 1286175758 /nfs/dbraw/zinc/17/57/58/1286175758.db2.gz QBLYJTXOSGYLHW-UHFFFAOYSA-N -1 0 354.334 0.287 20 5 FCBDRM Cc1c(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600029950 1286431613 /nfs/dbraw/zinc/43/16/13/1286431613.db2.gz WHZHKBGKPZNONV-XWIASGKRSA-N -1 0 363.326 0.976 20 5 FCBDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1F ZINC001600114847 1286443634 /nfs/dbraw/zinc/44/36/34/1286443634.db2.gz QQEQGFWANALBGB-UHFFFAOYSA-N -1 0 372.334 0.916 20 5 FCBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001600164919 1286448882 /nfs/dbraw/zinc/44/88/82/1286448882.db2.gz RBFOWHXMTCLYRI-GFCCVEGCSA-N -1 0 351.315 0.462 20 5 FCBDRM Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600163963 1286449157 /nfs/dbraw/zinc/44/91/57/1286449157.db2.gz DUCZDQVOAKQWKB-GHMZBOCLSA-N -1 0 358.372 0.668 20 5 FCBDRM Cc1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC001600244313 1286460114 /nfs/dbraw/zinc/46/01/14/1286460114.db2.gz RNBOBGMQYQLRMO-KOLCDFICSA-N -1 0 351.315 0.136 20 5 FCBDRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC001600477175 1286493847 /nfs/dbraw/zinc/49/38/47/1286493847.db2.gz KBUGFXGWWPNGPJ-LLVKDONJSA-N -1 0 371.371 0.257 20 5 FCBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600551773 1286506219 /nfs/dbraw/zinc/50/62/19/1286506219.db2.gz CSVGURFVVVBBQU-NSHDSACASA-N -1 0 357.388 0.540 20 5 FCBDRM Cc1nn(C)cc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001600778704 1286543096 /nfs/dbraw/zinc/54/30/96/1286543096.db2.gz MCDUPWPEUURCQE-UHFFFAOYSA-N -1 0 354.344 0.813 20 5 FCBDRM Cc1sc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600889699 1286561849 /nfs/dbraw/zinc/56/18/49/1286561849.db2.gz OVQXGHAOWCYDJQ-SCZZXKLOSA-N -1 0 350.374 0.563 20 5 FCBDRM Cn1nccc1[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001601034828 1286612465 /nfs/dbraw/zinc/61/24/65/1286612465.db2.gz 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COC(=O)[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000833709864 605661977 /nfs/dbraw/zinc/66/19/77/605661977.db2.gz NECADRBQDNWVND-ZWNOBZJWSA-N -1 0 366.326 0.838 20 5 FCBDRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000833707754 605772064 /nfs/dbraw/zinc/77/20/64/605772064.db2.gz OXZSGAKQWGHQTA-GXFFZTMASA-N -1 0 365.342 0.872 20 5 FCBDRM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CCO1 ZINC000820766863 606730287 /nfs/dbraw/zinc/73/02/87/606730287.db2.gz DIESDIYSZJQRKI-QMMMGPOBSA-N -1 0 354.348 0.184 20 5 FCBDRM CN([C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821592867 606734818 /nfs/dbraw/zinc/73/48/18/606734818.db2.gz ZGMMNURYWLAKPR-QMMMGPOBSA-N -1 0 354.348 0.184 20 5 FCBDRM COC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000821684454 606735104 /nfs/dbraw/zinc/73/51/04/606735104.db2.gz AHCBGAFYWDMRPT-SECBINFHSA-N -1 0 368.375 0.432 20 5 FCBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820120618 607210012 /nfs/dbraw/zinc/21/00/12/607210012.db2.gz GHPGGTOVBQZGGX-UHFFFAOYSA-N -1 0 371.361 0.804 20 5 FCBDRM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825019578 608111622 /nfs/dbraw/zinc/11/16/22/608111622.db2.gz FLWKNCJFSZFWMR-JGVFFNPUSA-N -1 0 354.348 0.231 20 5 FCBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263206060 663480846 /nfs/dbraw/zinc/48/08/46/663480846.db2.gz YFBLVXVYGPCZFB-LDYMZIIASA-N -1 0 372.355 0.723 20 5 FCBDRM NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000728146233 665125718 /nfs/dbraw/zinc/12/57/18/665125718.db2.gz FGSWEHJPLMSJPW-UHFFFAOYSA-N -1 0 355.353 0.874 20 5 FCBDRM O=C([O-])CN(CC1CC1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592143491 666566821 /nfs/dbraw/zinc/56/68/21/666566821.db2.gz FRLMLBIJYVXULK-UHFFFAOYSA-N -1 0 372.355 0.851 20 5 FCBDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000731551712 666825196 /nfs/dbraw/zinc/82/51/96/666825196.db2.gz CECXOMLVNUCSHK-UHFFFAOYSA-N -1 0 368.375 0.490 20 5 FCBDRM NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000732616715 666891443 /nfs/dbraw/zinc/89/14/43/666891443.db2.gz QBILSMOXPKNWRW-UHFFFAOYSA-N -1 0 355.353 0.874 20 5 FCBDRM NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000732623550 666891663 /nfs/dbraw/zinc/89/16/63/666891663.db2.gz WYQKAJWMFBLDBX-UHFFFAOYSA-N -1 0 355.353 0.874 20 5 FCBDRM COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000734089597 666952840 /nfs/dbraw/zinc/95/28/40/666952840.db2.gz OCEMVHUXAIBRPS-UHFFFAOYSA-N -1 0 360.344 0.616 20 5 FCBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000734738059 666982274 /nfs/dbraw/zinc/98/22/74/666982274.db2.gz YGSDNQNWTHBVOE-JTQLQIEISA-N -1 0 367.383 0.719 20 5 FCBDRM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)N1CCCCC1 ZINC000919672354 667193749 /nfs/dbraw/zinc/19/37/49/667193749.db2.gz ALUSZNVZCYIGNX-UHFFFAOYSA-N -1 0 367.387 0.791 20 5 FCBDRM CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000752515066 667520255 /nfs/dbraw/zinc/52/02/55/667520255.db2.gz GCHWNFVUEHBKLW-UHFFFAOYSA-N -1 0 360.348 0.321 20 5 FCBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCn2cccn2)cc1[N+](=O)[O-] ZINC000754684649 667606802 /nfs/dbraw/zinc/60/68/02/667606802.db2.gz REJFJBMVVSPGCC-UHFFFAOYSA-N -1 0 373.778 0.922 20 5 FCBDRM CCn1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000755762034 667647721 /nfs/dbraw/zinc/64/77/21/667647721.db2.gz STYUBYUMSFBIMQ-UHFFFAOYSA-N -1 0 362.755 0.317 20 5 FCBDRM NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000760196999 667840535 /nfs/dbraw/zinc/84/05/35/667840535.db2.gz RVRWEQJKLFJKRH-UHFFFAOYSA-N -1 0 357.275 0.545 20 5 FCBDRM NC(=O)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])on1 ZINC000760843583 667866289 /nfs/dbraw/zinc/86/62/89/667866289.db2.gz DWSDXAZJCYWRCY-UHFFFAOYSA-N -1 0 360.735 0.814 20 5 FCBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCNC(=O)C1 ZINC000760999886 667871739 /nfs/dbraw/zinc/87/17/39/667871739.db2.gz IRSWKQKHJKXXHC-ZETCQYMHSA-N -1 0 361.763 0.579 20 5 FCBDRM CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761425566 667889417 /nfs/dbraw/zinc/88/94/17/667889417.db2.gz CEPAIPPZRUJNTN-MRVPVSSYSA-N -1 0 359.360 0.323 20 5 FCBDRM COc1cc(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000761418369 667889440 /nfs/dbraw/zinc/88/94/40/667889440.db2.gz MVDBJNSEIDQPIA-SNVBAGLBSA-N -1 0 374.371 0.604 20 5 FCBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000761428046 667889760 /nfs/dbraw/zinc/88/97/60/667889760.db2.gz KUWAVWLBIOXGEV-SECBINFHSA-N -1 0 368.371 0.946 20 5 FCBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000761428047 667889826 /nfs/dbraw/zinc/88/98/26/667889826.db2.gz KUWAVWLBIOXGEV-VIFPVBQESA-N -1 0 368.371 0.946 20 5 FCBDRM COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000761430090 667889828 /nfs/dbraw/zinc/88/98/28/667889828.db2.gz UHUCATVERVVQNR-UHFFFAOYSA-N -1 0 361.332 0.107 20 5 FCBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000761433013 667889843 /nfs/dbraw/zinc/88/98/43/667889843.db2.gz SFJUADZGDGCPLE-UTCJRWHESA-N -1 0 366.355 0.855 20 5 FCBDRM COc1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000762135965 667905068 /nfs/dbraw/zinc/90/50/68/667905068.db2.gz DIDZIDJXIXINIZ-LLVKDONJSA-N -1 0 358.372 0.628 20 5 FCBDRM COc1cc(OCC(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000762137353 667905682 /nfs/dbraw/zinc/90/56/82/667905682.db2.gz GNWMSBQJBNCYCV-JTQLQIEISA-N -1 0 374.371 0.465 20 5 FCBDRM O=C(CCNc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000762141294 667906247 /nfs/dbraw/zinc/90/62/47/667906247.db2.gz SSUSUALBQWZEEG-LLVKDONJSA-N -1 0 357.388 0.879 20 5 FCBDRM Cc1c(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)nnn1C ZINC000762740700 667928898 /nfs/dbraw/zinc/92/88/98/667928898.db2.gz TWJIMYGTLWBQGS-UHFFFAOYSA-N -1 0 353.360 0.334 20 5 FCBDRM CCOC(=O)CS(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000838846515 667957619 /nfs/dbraw/zinc/95/76/19/667957619.db2.gz WEYWLWJNGMQNLH-UHFFFAOYSA-N -1 0 358.372 0.882 20 5 FCBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000839057519 667974366 /nfs/dbraw/zinc/97/43/66/667974366.db2.gz LWPOYNJRNVTTMR-GFCCVEGCSA-N -1 0 373.387 0.637 20 5 FCBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000764791145 667993845 /nfs/dbraw/zinc/99/38/45/667993845.db2.gz QQWXCFKTSNEWPK-YGRLFVJLSA-N -1 0 356.356 0.835 20 5 FCBDRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000766898330 668039216 /nfs/dbraw/zinc/03/92/16/668039216.db2.gz ZAXCJJAFDLQATK-UHFFFAOYSA-N -1 0 365.323 0.978 20 5 FCBDRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000768211213 668072851 /nfs/dbraw/zinc/07/28/51/668072851.db2.gz HHOGJBIALRMBGG-UHFFFAOYSA-N -1 0 362.360 0.326 20 5 FCBDRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000768209899 668072941 /nfs/dbraw/zinc/07/29/41/668072941.db2.gz LEZWBZOVPUOIGZ-UHFFFAOYSA-N -1 0 350.324 0.457 20 5 FCBDRM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000768881962 668103433 /nfs/dbraw/zinc/10/34/33/668103433.db2.gz KNVOBXGHRWFORM-UHFFFAOYSA-N -1 0 359.389 0.742 20 5 FCBDRM COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000773988263 668117062 /nfs/dbraw/zinc/11/70/62/668117062.db2.gz STIGXXVXCAXANH-UHFFFAOYSA-N -1 0 359.291 0.987 20 5 FCBDRM Cc1ccn(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)c1 ZINC000774149352 668129706 /nfs/dbraw/zinc/12/97/06/668129706.db2.gz FJPGDNFTOISESI-UHFFFAOYSA-N -1 0 369.330 0.709 20 5 FCBDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000770149014 668175923 /nfs/dbraw/zinc/17/59/23/668175923.db2.gz AGCIRXHBHQXOIW-UHFFFAOYSA-N -1 0 352.328 0.902 20 5 FCBDRM CCCN(C)S(=O)(=O)[N-]C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000770624011 668207139 /nfs/dbraw/zinc/20/71/39/668207139.db2.gz SGQUAVZVFBAGLF-UHFFFAOYSA-N -1 0 361.376 0.685 20 5 FCBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000770771670 668217702 /nfs/dbraw/zinc/21/77/02/668217702.db2.gz HYJRGHCBLQMDJS-MRVPVSSYSA-N -1 0 371.346 0.550 20 5 FCBDRM O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770771120 668217722 /nfs/dbraw/zinc/21/77/22/668217722.db2.gz AHGXHSSKXFQFDR-JTQLQIEISA-N -1 0 362.335 0.734 20 5 FCBDRM CCOc1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)c([N+](=O)[O-])cc1OC ZINC000776246708 668253734 /nfs/dbraw/zinc/25/37/34/668253734.db2.gz SROSRJUJHCGTFT-UHFFFAOYSA-N -1 0 352.303 0.541 20 5 FCBDRM O=C([O-])[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776502828 668266615 /nfs/dbraw/zinc/26/66/15/668266615.db2.gz IWJZZQKAELXVFN-YPMHNXCESA-N -1 0 358.372 0.546 20 5 FCBDRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000776614800 668279068 /nfs/dbraw/zinc/27/90/68/668279068.db2.gz JPBNLGUPGHELGV-PWSUYJOCSA-N -1 0 364.351 0.935 20 5 FCBDRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776712536 668288235 /nfs/dbraw/zinc/28/82/35/668288235.db2.gz BWSISYVBTVKZLE-ZETCQYMHSA-N -1 0 365.389 0.256 20 5 FCBDRM CN(CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000772636104 668318729 /nfs/dbraw/zinc/31/87/29/668318729.db2.gz BXTDZYFGMBYGPV-UHFFFAOYSA-N -1 0 353.360 0.270 20 5 FCBDRM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000777344443 668321348 /nfs/dbraw/zinc/32/13/48/668321348.db2.gz GZSLBONWNSUNBC-UHFFFAOYSA-N -1 0 352.328 0.401 20 5 FCBDRM CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000772963150 668339005 /nfs/dbraw/zinc/33/90/05/668339005.db2.gz BUIYOJRXBZUCCC-LBPRGKRZSA-N -1 0 369.399 0.799 20 5 FCBDRM CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000772971461 668339378 /nfs/dbraw/zinc/33/93/78/668339378.db2.gz GZNCAPXCNYALFW-LLVKDONJSA-N -1 0 369.399 0.967 20 5 FCBDRM 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CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCC(=O)[O-] ZINC000509184387 490399846 /nfs/dbraw/zinc/39/98/46/490399846.db2.gz MALJFPXRMMIINO-MRVPVSSYSA-N -1 0 359.360 0.630 20 5 FCBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncn(C)c2C(N)=O)c1C ZINC000468692249 490436464 /nfs/dbraw/zinc/43/64/64/490436464.db2.gz FCHYGXKDCKIXCE-UHFFFAOYSA-N -1 0 353.360 0.845 20 5 FCBDRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548218569 490443130 /nfs/dbraw/zinc/44/31/30/490443130.db2.gz AKUKTHIOEPWNPN-ONGXEEELSA-N -1 0 374.371 0.319 20 5 FCBDRM CCn1cc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])c([N+](=O)[O-])n1 ZINC000548246246 490449342 /nfs/dbraw/zinc/44/93/42/490449342.db2.gz RIHQBQBRPLUTGH-ZETCQYMHSA-N -1 0 352.394 0.296 20 5 FCBDRM Cc1nc([N-]c2cnn(CC(=O)N3CCN(C)CC3)c2)ncc1[N+](=O)[O-] ZINC000450312700 490459085 /nfs/dbraw/zinc/45/90/85/490459085.db2.gz IMSJKRTUORSILG-UHFFFAOYSA-N -1 0 360.378 0.407 20 5 FCBDRM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000509797189 490465906 /nfs/dbraw/zinc/46/59/06/490465906.db2.gz XPAOHZSFYDFKHC-UHFFFAOYSA-N -1 0 372.337 0.446 20 5 FCBDRM O=C([O-])Cn1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000450508837 490468823 /nfs/dbraw/zinc/46/88/23/490468823.db2.gz FMDYVNUTQQCWGK-UHFFFAOYSA-N -1 0 362.298 0.828 20 5 FCBDRM C[C@@H](CN(C)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000422921649 490499000 /nfs/dbraw/zinc/49/90/00/490499000.db2.gz OMEGYPMQJXWJSJ-JTQLQIEISA-N -1 0 365.342 0.364 20 5 FCBDRM Cc1n[nH]cc1S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548556383 490505533 /nfs/dbraw/zinc/50/55/33/490505533.db2.gz GLFQUDNONPMDNW-JTQLQIEISA-N -1 0 354.344 0.601 20 5 FCBDRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000548564851 490507704 /nfs/dbraw/zinc/50/77/04/490507704.db2.gz GRMGWYAZTOEKHF-UHFFFAOYSA-N -1 0 362.360 0.715 20 5 FCBDRM Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000548585278 490512076 /nfs/dbraw/zinc/51/20/76/490512076.db2.gz USCPMQMLUGBBCO-XFNZEKPQSA-N -1 0 362.385 0.109 20 5 FCBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000485912573 490570493 /nfs/dbraw/zinc/57/04/93/490570493.db2.gz GAZOPWMPVIBXOI-SECBINFHSA-N -1 0 361.314 0.633 20 5 FCBDRM O=C([O-])CNC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000486192765 490597249 /nfs/dbraw/zinc/59/72/49/490597249.db2.gz LZWPIAOGUDINNM-UHFFFAOYSA-N -1 0 374.309 0.210 20 5 FCBDRM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000486385035 490616003 /nfs/dbraw/zinc/61/60/03/490616003.db2.gz GCQJTZJRADBIBV-MNOVXSKESA-N -1 0 369.378 0.529 20 5 FCBDRM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000571993398 491341440 /nfs/dbraw/zinc/34/14/40/491341440.db2.gz BLZZCFBSGPCHRV-CQSZACIVSA-N -1 0 358.372 0.848 20 5 FCBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](n3cc(CO)nn3)C2)n1 ZINC000572004209 491342407 /nfs/dbraw/zinc/34/24/07/491342407.db2.gz CBHVQZATUIFZKY-LLVKDONJSA-N -1 0 362.346 0.922 20 5 FCBDRM O=C([O-])c1cn(C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)nn1 ZINC000565042044 491347664 /nfs/dbraw/zinc/34/76/64/491347664.db2.gz SMZCUUJWJOICCW-UHFFFAOYSA-N -1 0 358.318 0.769 20 5 FCBDRM CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000565060427 491349364 /nfs/dbraw/zinc/34/93/64/491349364.db2.gz BFEKZDMPCDFZHB-UHFFFAOYSA-N -1 0 357.344 0.146 20 5 FCBDRM O=C([O-])c1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572165574 491353626 /nfs/dbraw/zinc/35/36/26/491353626.db2.gz VYMQNTVLPHCWRN-UHFFFAOYSA-N -1 0 355.328 0.246 20 5 FCBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000572185110 491354459 /nfs/dbraw/zinc/35/44/59/491354459.db2.gz UUYAVBLFXNBUMC-MFKMUULPSA-N -1 0 358.372 0.749 20 5 FCBDRM NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000514792646 490788605 /nfs/dbraw/zinc/78/86/05/490788605.db2.gz NDDUFAXPHLIZHV-VIFPVBQESA-N -1 0 357.344 0.322 20 5 FCBDRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000504229399 490792559 /nfs/dbraw/zinc/79/25/59/490792559.db2.gz HHAIUJGLPJGMTQ-UHFFFAOYSA-N -1 0 367.387 0.955 20 5 FCBDRM O=C([O-])[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1 ZINC000540671248 490833185 /nfs/dbraw/zinc/83/31/85/490833185.db2.gz XMFMWHAXFWDYCK-LLVKDONJSA-N -1 0 350.306 0.990 20 5 FCBDRM C[C@@](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)(C(=O)[O-])C1CC1 ZINC000515643484 490834111 /nfs/dbraw/zinc/83/41/11/490834111.db2.gz UOOBGAJYRVIWGG-AWEZNQCLSA-N -1 0 372.355 0.898 20 5 FCBDRM COCCNC(=O)CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000506152814 490852046 /nfs/dbraw/zinc/85/20/46/490852046.db2.gz IHABHCHIELAJSA-UHFFFAOYSA-N -1 0 352.391 0.181 20 5 FCBDRM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516574906 490869254 /nfs/dbraw/zinc/86/92/54/490869254.db2.gz WOLLTGWKHHLJMF-JTQLQIEISA-N -1 0 373.387 0.292 20 5 FCBDRM C[C@H](C(=O)[O-])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000517369987 490906002 /nfs/dbraw/zinc/90/60/02/490906002.db2.gz QXLFUYUQGKQRNZ-QMMMGPOBSA-N -1 0 359.360 0.247 20 5 FCBDRM O=C(CNS(=O)(=O)c1cccnc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000518019164 490928448 /nfs/dbraw/zinc/92/84/48/490928448.db2.gz MPMDNSDQAFUMBF-UHFFFAOYSA-N -1 0 352.328 0.612 20 5 FCBDRM CSC[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000518779064 490951519 /nfs/dbraw/zinc/95/15/19/490951519.db2.gz ZMVBUXIJCHIIFE-GFCCVEGCSA-N -1 0 364.401 0.685 20 5 FCBDRM O=C([O-])[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000519549599 490975646 /nfs/dbraw/zinc/97/56/46/490975646.db2.gz LERQEBXNBDLAAI-SSDOTTSWSA-N -1 0 358.250 0.337 20 5 FCBDRM CC(C)(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000519673185 490983477 /nfs/dbraw/zinc/98/34/77/490983477.db2.gz YPNVYOXZNZNEQY-UHFFFAOYSA-N -1 0 373.387 0.490 20 5 FCBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000544924956 490986135 /nfs/dbraw/zinc/98/61/35/490986135.db2.gz VLNUNPGTRKFELB-JTQLQIEISA-N -1 0 371.371 0.501 20 5 FCBDRM CC(C)N(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569540040 491167099 /nfs/dbraw/zinc/16/70/99/491167099.db2.gz PRFIYEHUMVKKAT-UHFFFAOYSA-N -1 0 373.387 0.585 20 5 FCBDRM COc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)[O-])cc1 ZINC000554099300 491176897 /nfs/dbraw/zinc/17/68/97/491176897.db2.gz IZXPHFGRMIGTSY-OAHLLOKOSA-N -1 0 361.310 0.707 20 5 FCBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)n1 ZINC000572410027 491368469 /nfs/dbraw/zinc/36/84/69/491368469.db2.gz LRKCANHNYAASKN-AAEUAGOBSA-N -1 0 361.358 0.942 20 5 FCBDRM O=C([O-])[C@@H](O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000572427040 491369727 /nfs/dbraw/zinc/36/97/27/491369727.db2.gz CTWDCILCVJKYLI-YPMHNXCESA-N -1 0 358.372 0.582 20 5 FCBDRM CSC[C@](C)(O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572607355 491381436 /nfs/dbraw/zinc/38/14/36/491381436.db2.gz VIBWVONGJPKUMG-GFCCVEGCSA-N -1 0 364.401 0.685 20 5 FCBDRM CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000572726799 491389432 /nfs/dbraw/zinc/38/94/32/491389432.db2.gz GDECIJPSBABZLS-UHFFFAOYSA-N -1 0 357.344 0.493 20 5 FCBDRM O=C([O-])C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573098776 491412739 /nfs/dbraw/zinc/41/27/39/491412739.db2.gz YKLRVJLPAPXWMZ-CQSZACIVSA-N -1 0 352.322 0.878 20 5 FCBDRM CCn1cc(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)c([N+](=O)[O-])n1 ZINC000566183031 491423827 /nfs/dbraw/zinc/42/38/27/491423827.db2.gz SUWCDWDSCDTXDD-UHFFFAOYSA-N -1 0 364.405 0.440 20 5 FCBDRM COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000573329602 491426708 /nfs/dbraw/zinc/42/67/08/491426708.db2.gz SHSVGHSEBVZGGT-ZCFIWIBFSA-N -1 0 352.346 0.259 20 5 FCBDRM C[C@H](CC(=O)[O-])CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000574339794 491490125 /nfs/dbraw/zinc/49/01/25/491490125.db2.gz VWHGUCGIOOCAGS-JTQLQIEISA-N -1 0 373.387 0.490 20 5 FCBDRM COc1cc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)ccc1[N+](=O)[O-] ZINC000567498495 491509995 /nfs/dbraw/zinc/50/99/95/491509995.db2.gz ZWKBEEBXHNGXKL-GFCCVEGCSA-N -1 0 362.385 0.842 20 5 FCBDRM Cc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000567819824 491531953 /nfs/dbraw/zinc/53/19/53/491531953.db2.gz YBZRZLZTFJWADG-ZWNOBZJWSA-N -1 0 358.372 0.980 20 5 FCBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC000560416842 491538546 /nfs/dbraw/zinc/53/85/46/491538546.db2.gz HRAKZRMVNSALDC-UHFFFAOYSA-N -1 0 372.355 0.915 20 5 FCBDRM CNc1nccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1[N+](=O)[O-] ZINC000568409286 491575234 /nfs/dbraw/zinc/57/52/34/491575234.db2.gz DUQAWHFSWDEXTJ-UHFFFAOYSA-N -1 0 371.357 1.327 20 5 FCBDRM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000577066493 491586066 /nfs/dbraw/zinc/58/60/66/491586066.db2.gz TVPBUCMPRXDSKD-BDAKNGLRSA-N -1 0 358.376 0.818 20 5 FCBDRM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000577066496 491586121 /nfs/dbraw/zinc/58/61/21/491586121.db2.gz TVPBUCMPRXDSKD-RKDXNWHRSA-N -1 0 358.376 0.818 20 5 FCBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@]12CCOC2 ZINC000576216195 491593317 /nfs/dbraw/zinc/59/33/17/491593317.db2.gz BQXQWXVGMOHPKC-DZGCQCFKSA-N -1 0 370.383 0.848 20 5 FCBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000576240489 491596253 /nfs/dbraw/zinc/59/62/53/491596253.db2.gz QRSWNAAAUDKWFN-HTQZYQBOSA-N -1 0 360.344 0.769 20 5 FCBDRM CCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577181589 491598820 /nfs/dbraw/zinc/59/88/20/491598820.db2.gz BNURNSAAHIETIS-UHFFFAOYSA-N -1 0 373.387 0.782 20 5 FCBDRM COc1cc(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000576276626 491600310 /nfs/dbraw/zinc/60/03/10/491600310.db2.gz WXLNAPZDXWQPCW-VIFPVBQESA-N -1 0 360.344 0.468 20 5 FCBDRM COCCCOC1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000568758235 491607200 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