smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000738370250 945263535 /nfs/dbraw/zinc/26/35/35/945263535.db2.gz SKVXSJDZMGRRBK-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738370250 945263546 /nfs/dbraw/zinc/26/35/46/945263546.db2.gz SKVXSJDZMGRRBK-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM Cc1onc(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1-c1nnn[n-]1 ZINC000826343887 947998367 /nfs/dbraw/zinc/99/83/67/947998367.db2.gz PYOTZARLCSNOCE-JTQLQIEISA-N -1 1 399.371 0.722 20 5 GCBDMM Cc1onc(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1-c1nn[n-]n1 ZINC000826343887 947998371 /nfs/dbraw/zinc/99/83/71/947998371.db2.gz PYOTZARLCSNOCE-JTQLQIEISA-N -1 1 399.371 0.722 20 5 GCBDMM Cc1onc(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1-c1nnn[n-]1 ZINC000826344968 948015575 /nfs/dbraw/zinc/01/55/75/948015575.db2.gz YIQQEPBBQBUOMF-UHFFFAOYSA-N -1 1 398.383 0.963 20 5 GCBDMM Cc1onc(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1-c1nn[n-]n1 ZINC000826344968 948015586 /nfs/dbraw/zinc/01/55/86/948015586.db2.gz YIQQEPBBQBUOMF-UHFFFAOYSA-N -1 1 398.383 0.963 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(n3ccnc3)C2)c1-c1nn[n-]n1 ZINC000826500342 948415381 /nfs/dbraw/zinc/41/53/81/948415381.db2.gz UTELGGMQAGCHLY-UHFFFAOYSA-N -1 1 376.358 0.217 20 5 GCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704147 969285715 /nfs/dbraw/zinc/28/57/15/969285715.db2.gz SWZIGIUWAAKMJZ-XPUUQOCRSA-N -1 1 393.278 0.065 20 5 GCBDMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001605970191 972975323 /nfs/dbraw/zinc/97/53/23/972975323.db2.gz MKMWRGHEFYTBKP-WPRPVWTQSA-N -1 1 390.274 0.726 20 5 GCBDMM C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCN(C)CC1 ZINC001592722461 979225112 /nfs/dbraw/zinc/22/51/12/979225112.db2.gz MFYXONVPZNATMM-LLVKDONJSA-N -1 1 386.430 0.207 20 5 GCBDMM CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C(=O)[O-])C1 ZINC001598604821 993629960 /nfs/dbraw/zinc/62/99/60/993629960.db2.gz XBKXAYSHFCVWNN-SECBINFHSA-N -1 1 384.776 0.662 20 5 GCBDMM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000262482884 530245949 /nfs/dbraw/zinc/24/59/49/530245949.db2.gz SPPVLGMTFKFSIC-UHFFFAOYSA-N -1 1 375.378 0.950 20 5 GCBDMM CNC(=O)CN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000263692173 530254987 /nfs/dbraw/zinc/25/49/87/530254987.db2.gz LKWHWURRLSJPQR-UHFFFAOYSA-N -1 1 390.849 0.737 20 5 GCBDMM CN1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000263818936 530296038 /nfs/dbraw/zinc/29/60/38/530296038.db2.gz PRPGGIBYSZEING-QMMMGPOBSA-N -1 1 378.204 0.866 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCn1cc(CO)nn1 ZINC000290139782 530302964 /nfs/dbraw/zinc/30/29/64/530302964.db2.gz HWZTVACGVJDOPC-UHFFFAOYSA-N -1 1 375.794 0.701 20 5 GCBDMM NC(=O)[C@@H]1CCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517406662 530355934 /nfs/dbraw/zinc/35/59/34/530355934.db2.gz DVKOABPPBRASFO-LBPRGKRZSA-N -1 1 390.849 0.866 20 5 GCBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000275801921 530512457 /nfs/dbraw/zinc/51/24/57/530512457.db2.gz PMWHPDLJIWQRBK-LDWIPMOCSA-N -1 1 397.203 0.558 20 5 GCBDMM Cn1cnnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000103153494 530666453 /nfs/dbraw/zinc/66/64/53/530666453.db2.gz ZGNHQWBAOYRQIZ-UHFFFAOYSA-N -1 1 376.192 0.964 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268277521 530683564 /nfs/dbraw/zinc/68/35/64/530683564.db2.gz UYQOBUOQRCVXMV-KOLCDFICSA-N -1 1 395.434 0.730 20 5 GCBDMM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295835361 530791434 /nfs/dbraw/zinc/79/14/34/530791434.db2.gz VYJNTIWGWVLIBN-VIFPVBQESA-N -1 1 385.851 0.854 20 5 GCBDMM NC(=O)[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000594494331 530867680 /nfs/dbraw/zinc/86/76/80/530867680.db2.gz WHAHLFGZWCQEBZ-NSHDSACASA-N -1 1 394.203 0.280 20 5 GCBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)OCCO2 ZINC000535252122 530903762 /nfs/dbraw/zinc/90/37/62/530903762.db2.gz MLVPVTNHANWNRA-ZETCQYMHSA-N -1 1 386.304 0.958 20 5 GCBDMM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000443252451 530893832 /nfs/dbraw/zinc/89/38/32/530893832.db2.gz QQHKMHSUMNWZSX-CQSZACIVSA-N -1 1 393.849 0.610 20 5 GCBDMM C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000443252448 530894274 /nfs/dbraw/zinc/89/42/74/530894274.db2.gz QQHKMHSUMNWZSX-AWEZNQCLSA-N -1 1 393.849 0.610 20 5 GCBDMM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494333812 530934658 /nfs/dbraw/zinc/93/46/58/530934658.db2.gz TULARAUYMNMXEP-UHFFFAOYSA-N -1 1 383.835 0.418 20 5 GCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC(=O)c2cccs2)C(=O)[O-])n1 ZINC000600656881 530931675 /nfs/dbraw/zinc/93/16/75/530931675.db2.gz WOAFIGQHTFQPLK-SSDOTTSWSA-N -1 1 388.383 0.394 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000501933446 530932928 /nfs/dbraw/zinc/93/29/28/530932928.db2.gz BBZJGHPVJGOYII-UHFFFAOYSA-N -1 1 386.411 0.774 20 5 GCBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000468852007 530917620 /nfs/dbraw/zinc/91/76/20/530917620.db2.gz DRHLIRHDQWQUTI-SSDOTTSWSA-N -1 1 386.304 0.973 20 5 GCBDMM Cc1c(NC(=O)C(=O)NCc2nn[n-]n2)cc(Br)cc1[N+](=O)[O-] ZINC000619532551 530945705 /nfs/dbraw/zinc/94/57/05/530945705.db2.gz NZNWPKFDAIWYMA-UHFFFAOYSA-N -1 1 384.150 0.434 20 5 GCBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC000270007890 530988136 /nfs/dbraw/zinc/98/81/36/530988136.db2.gz SYNPPBFQMSGZCZ-LLVKDONJSA-N -1 1 381.204 0.787 20 5 GCBDMM Cn1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1=O ZINC000737613381 599042866 /nfs/dbraw/zinc/04/28/66/599042866.db2.gz NCNRRGZSPNCZPW-UHFFFAOYSA-N -1 1 377.342 0.274 20 5 GCBDMM O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738371639 598261516 /nfs/dbraw/zinc/26/15/16/598261516.db2.gz VMHUYMRJRZKKKU-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738371639 598261517 /nfs/dbraw/zinc/26/15/17/598261517.db2.gz VMHUYMRJRZKKKU-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM C[C@@H](CN1CCN(C)CC1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736587328 600008361 /nfs/dbraw/zinc/00/83/61/600008361.db2.gz VTORUHDKQQCQNC-LBPRGKRZSA-N -1 1 379.417 0.457 20 5 GCBDMM O=C([O-])CN(CCN1CCOCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739789602 600147798 /nfs/dbraw/zinc/14/77/98/600147798.db2.gz DGAVRXVCCAUKEE-UHFFFAOYSA-N -1 1 381.385 0.680 20 5 GCBDMM CC[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825068369 607449909 /nfs/dbraw/zinc/44/99/09/607449909.db2.gz QRYNMOMNQUILSJ-LBPRGKRZSA-N -1 1 388.432 0.812 20 5 GCBDMM CC[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825068369 607449911 /nfs/dbraw/zinc/44/99/11/607449911.db2.gz QRYNMOMNQUILSJ-LBPRGKRZSA-N -1 1 388.432 0.812 20 5 GCBDMM CC(=O)N1CCN(C(=O)CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000823980313 607451308 /nfs/dbraw/zinc/45/13/08/607451308.db2.gz AZNZXOYASURMRB-UHFFFAOYSA-N -1 1 388.388 0.268 20 5 GCBDMM CC(=O)N1CCN(C(=O)CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000823980313 607451311 /nfs/dbraw/zinc/45/13/11/607451311.db2.gz AZNZXOYASURMRB-UHFFFAOYSA-N -1 1 388.388 0.268 20 5 GCBDMM O=c1n(CCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)nc2n1CCCC2 ZINC000826502132 607453046 /nfs/dbraw/zinc/45/30/46/607453046.db2.gz VIWGGORATBFGPK-UHFFFAOYSA-N -1 1 385.388 0.972 20 5 GCBDMM O=c1n(CCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)nc2n1CCCC2 ZINC000826502132 607453048 /nfs/dbraw/zinc/45/30/48/607453048.db2.gz VIWGGORATBFGPK-UHFFFAOYSA-N -1 1 385.388 0.972 20 5 GCBDMM CC[C@H](O)CN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736926773 600670787 /nfs/dbraw/zinc/67/07/87/600670787.db2.gz IJDFZOZQVHMNMN-OCCSQVGLSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@H](O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000827804269 600812818 /nfs/dbraw/zinc/81/28/18/600812818.db2.gz UXPCPDGDPZUODY-AGIUHOORSA-N -1 1 394.428 0.689 20 5 GCBDMM CC[C@H](CO)N1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828890266 600824666 /nfs/dbraw/zinc/82/46/66/600824666.db2.gz AEEQEWBLJRGTTM-CYBMUJFWSA-N -1 1 380.401 0.302 20 5 GCBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000600870481 601105414 /nfs/dbraw/zinc/10/54/14/601105414.db2.gz URZPQKDEQKDQFZ-AAEUAGOBSA-N -1 1 396.448 0.835 20 5 GCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827362130 601122826 /nfs/dbraw/zinc/12/28/26/601122826.db2.gz IPXYUYPLESJXKL-LBPRGKRZSA-N -1 1 378.385 0.332 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000833252179 601335272 /nfs/dbraw/zinc/33/52/72/601335272.db2.gz GEYURDOVTLTSTC-UHFFFAOYSA-N -1 1 392.412 0.710 20 5 GCBDMM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825839508 607580230 /nfs/dbraw/zinc/58/02/30/607580230.db2.gz HSHATAOLHAXLTP-JTQLQIEISA-N -1 1 395.401 0.016 20 5 GCBDMM COc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ccn1 ZINC000826179340 607582351 /nfs/dbraw/zinc/58/23/51/607582351.db2.gz KTYPIEMGUACUBU-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825220812 607585170 /nfs/dbraw/zinc/58/51/70/607585170.db2.gz WXXXBWRVIGATLY-VHSXEESVSA-N -1 1 382.402 0.963 20 5 GCBDMM O=C(CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)NC1CC1 ZINC000826406370 607589655 /nfs/dbraw/zinc/58/96/55/607589655.db2.gz TWWISMYTTRXFIS-UHFFFAOYSA-N -1 1 395.401 0.112 20 5 GCBDMM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826424515 607599574 /nfs/dbraw/zinc/59/95/74/607599574.db2.gz POBWLBYMCUPTDS-UHFFFAOYSA-N -1 1 397.307 0.821 20 5 GCBDMM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826424515 607599575 /nfs/dbraw/zinc/59/95/75/607599575.db2.gz POBWLBYMCUPTDS-UHFFFAOYSA-N -1 1 397.307 0.821 20 5 GCBDMM CC[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825044641 607601825 /nfs/dbraw/zinc/60/18/25/607601825.db2.gz QXTVSAKCQDATMW-CYBMUJFWSA-N -1 1 384.374 0.395 20 5 GCBDMM CNC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1 ZINC000826050868 607603047 /nfs/dbraw/zinc/60/30/47/607603047.db2.gz GPCRSIYAFVGZET-UHFFFAOYSA-N -1 1 395.401 0.112 20 5 GCBDMM Cc1noc(C)c1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826338971 607610301 /nfs/dbraw/zinc/61/03/01/607610301.db2.gz NHZBIZHWHRLJKJ-UHFFFAOYSA-N -1 1 393.385 0.901 20 5 GCBDMM COC(=O)[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000826098518 607619976 /nfs/dbraw/zinc/61/99/76/607619976.db2.gz HKTLTRXADHIJKV-AWEZNQCLSA-N -1 1 396.385 0.395 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](CCO)C2)c1-c1nn[n-]n1 ZINC000826500194 607633343 /nfs/dbraw/zinc/63/33/43/607633343.db2.gz OBMNSPSMNMEUNC-JTQLQIEISA-N -1 1 382.402 0.558 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1-c1nn[n-]n1 ZINC000826500075 607668445 /nfs/dbraw/zinc/66/84/45/607668445.db2.gz KCEQQBLBHBVMLE-QMMMGPOBSA-N -1 1 391.373 0.180 20 5 GCBDMM C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[S@](C)=O ZINC000824400123 607674550 /nfs/dbraw/zinc/67/45/50/607674550.db2.gz AILVJWNIXCMHCV-VPCRFOHKSA-N -1 1 388.431 0.210 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CCO)CCC2)c1-c1nn[n-]n1 ZINC000826499983 607676127 /nfs/dbraw/zinc/67/61/27/607676127.db2.gz HFUTVDHEHVNORR-UHFFFAOYSA-N -1 1 382.402 0.606 20 5 GCBDMM CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825833342 607678052 /nfs/dbraw/zinc/67/80/52/607678052.db2.gz GKJHZNFVOINWBS-NSHDSACASA-N -1 1 384.418 0.802 20 5 GCBDMM C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824691350 607678344 /nfs/dbraw/zinc/67/83/44/607678344.db2.gz ZYPNNPPLTSFFQE-NXEZZACHSA-N -1 1 382.402 0.556 20 5 GCBDMM C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824698695 607747659 /nfs/dbraw/zinc/74/76/59/607747659.db2.gz NCAQJDSVTPIBDK-UWVGGRQHSA-N -1 1 382.402 0.699 20 5 GCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O ZINC000821565164 606042270 /nfs/dbraw/zinc/04/22/70/606042270.db2.gz GSYJGCAUOMWOKD-UHFFFAOYSA-N -1 1 377.748 0.820 20 5 GCBDMM CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821635216 606441838 /nfs/dbraw/zinc/44/18/38/606441838.db2.gz RIQVKRZWKZGFSK-UHFFFAOYSA-N -1 1 386.376 0.485 20 5 GCBDMM CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821635216 606441840 /nfs/dbraw/zinc/44/18/40/606441840.db2.gz RIQVKRZWKZGFSK-UHFFFAOYSA-N -1 1 386.376 0.485 20 5 GCBDMM O=C([C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000822916864 606645151 /nfs/dbraw/zinc/64/51/51/606645151.db2.gz GRKWGEKROZWTAG-GFCCVEGCSA-N -1 1 387.400 0.850 20 5 GCBDMM O=C(C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000822917251 606645249 /nfs/dbraw/zinc/64/52/49/606645249.db2.gz RCPHKJHLZQUNPO-UHFFFAOYSA-N -1 1 387.400 0.850 20 5 GCBDMM CC(=O)N1CCN(C(=O)CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000819796358 606645411 /nfs/dbraw/zinc/64/54/11/606645411.db2.gz GFDDUKMICIBOOM-UHFFFAOYSA-N -1 1 388.388 0.268 20 5 GCBDMM O=C(c1ccccc1O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493160 606698567 /nfs/dbraw/zinc/69/85/67/606698567.db2.gz GMNREZXJXMSSIO-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM O=C(c1ccccc1O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493160 606698568 /nfs/dbraw/zinc/69/85/68/606698568.db2.gz GMNREZXJXMSSIO-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820769480 606714742 /nfs/dbraw/zinc/71/47/42/606714742.db2.gz UAVLGOJJTCKQKL-SCZZXKLOSA-N -1 1 382.406 0.252 20 5 GCBDMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820769480 606714743 /nfs/dbraw/zinc/71/47/43/606714743.db2.gz UAVLGOJJTCKQKL-SCZZXKLOSA-N -1 1 382.406 0.252 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821933245 606719686 /nfs/dbraw/zinc/71/96/86/606719686.db2.gz YKJDHJLDDAMJKP-WCBMZHEXSA-N -1 1 382.406 0.300 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821933245 606719687 /nfs/dbraw/zinc/71/96/87/606719687.db2.gz YKJDHJLDDAMJKP-WCBMZHEXSA-N -1 1 382.406 0.300 20 5 GCBDMM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821655282 606731389 /nfs/dbraw/zinc/73/13/89/606731389.db2.gz IQDCOIAIEUVMEB-JTQLQIEISA-N -1 1 396.385 0.491 20 5 GCBDMM CN(Cc1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821615974 606733123 /nfs/dbraw/zinc/73/31/23/606733123.db2.gz XEMVIODMVFODFU-UHFFFAOYSA-N -1 1 375.370 0.991 20 5 GCBDMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1C ZINC000821657870 606736790 /nfs/dbraw/zinc/73/67/90/606736790.db2.gz XYYVYDLATVGUFY-DTWKUNHWSA-N -1 1 396.385 0.205 20 5 GCBDMM Cc1cnc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000822394935 606807811 /nfs/dbraw/zinc/80/78/11/606807811.db2.gz LFKNYYOEYOQVNN-NSHDSACASA-N -1 1 382.388 0.983 20 5 GCBDMM Cc1cnc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000822394935 606807813 /nfs/dbraw/zinc/80/78/13/606807813.db2.gz LFKNYYOEYOQVNN-NSHDSACASA-N -1 1 382.388 0.983 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000820789195 606820334 /nfs/dbraw/zinc/82/03/34/606820334.db2.gz XMJBGHCVIFDIRG-SECBINFHSA-N -1 1 384.360 0.244 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000820789195 606820336 /nfs/dbraw/zinc/82/03/36/606820336.db2.gz XMJBGHCVIFDIRG-SECBINFHSA-N -1 1 384.360 0.244 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000820788193 606821757 /nfs/dbraw/zinc/82/17/57/606821757.db2.gz ADXCDWNKAMJJHL-LLVKDONJSA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000820788193 606821759 /nfs/dbraw/zinc/82/17/59/606821759.db2.gz ADXCDWNKAMJJHL-LLVKDONJSA-N -1 1 395.383 0.916 20 5 GCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC000821565230 607141797 /nfs/dbraw/zinc/14/17/97/607141797.db2.gz JWWBSCLMFPYRJW-UHFFFAOYSA-N -1 1 377.748 0.820 20 5 GCBDMM Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822369097 607156110 /nfs/dbraw/zinc/15/61/10/607156110.db2.gz AMMJDSDPFQWUSI-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000823127073 607239332 /nfs/dbraw/zinc/23/93/32/607239332.db2.gz RTYYOZXVCQVCFS-CQSZACIVSA-N -1 1 387.385 0.641 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])n1 ZINC000825805011 607851583 /nfs/dbraw/zinc/85/15/83/607851583.db2.gz OEJSFGQVLLTWHI-UHFFFAOYSA-N -1 1 396.364 0.609 20 5 GCBDMM Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ncn1 ZINC000826267286 607938130 /nfs/dbraw/zinc/93/81/30/607938130.db2.gz YTJGMCHCRHESSP-UHFFFAOYSA-N -1 1 376.358 0.352 20 5 GCBDMM CC(C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)[O-] ZINC000824235653 608011020 /nfs/dbraw/zinc/01/10/20/608011020.db2.gz JFZQAHQDLIRVQW-MRVPVSSYSA-N -1 1 384.374 0.553 20 5 GCBDMM O=C([O-])C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCCC1 ZINC000826461150 608011683 /nfs/dbraw/zinc/01/16/83/608011683.db2.gz HXXCYPJSCRAGMT-UHFFFAOYSA-N -1 1 396.385 0.841 20 5 GCBDMM CCOC(=O)C[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825498764 608026423 /nfs/dbraw/zinc/02/64/23/608026423.db2.gz BYQZQHQEBGJDSX-VIFPVBQESA-N -1 1 398.401 0.643 20 5 GCBDMM CCOC(=O)CC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825506781 608026453 /nfs/dbraw/zinc/02/64/53/608026453.db2.gz MFNCDSKYYDSTAP-VIFPVBQESA-N -1 1 398.401 0.785 20 5 GCBDMM CN(CC1(O)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825902388 608111186 /nfs/dbraw/zinc/11/11/86/608111186.db2.gz SSHDNRIIASQPPQ-UHFFFAOYSA-N -1 1 382.402 0.701 20 5 GCBDMM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426865 608163877 /nfs/dbraw/zinc/16/38/77/608163877.db2.gz YDPAVVPUUXVWQW-GWCFXTLKSA-N -1 1 390.381 0.661 20 5 GCBDMM O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426865 608163878 /nfs/dbraw/zinc/16/38/78/608163878.db2.gz YDPAVVPUUXVWQW-GWCFXTLKSA-N -1 1 390.381 0.661 20 5 GCBDMM CCN1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000825453238 608238274 /nfs/dbraw/zinc/23/82/74/608238274.db2.gz UQOQEYCBULIOGH-GHMZBOCLSA-N -1 1 395.445 0.878 20 5 GCBDMM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825247096 608239403 /nfs/dbraw/zinc/23/94/03/608239403.db2.gz ANFNPGISSRCETE-SNVBAGLBSA-N -1 1 395.401 0.064 20 5 GCBDMM CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C(C)(C)C1 ZINC000826038801 608342795 /nfs/dbraw/zinc/34/27/95/608342795.db2.gz XTKPDVRCCVGORV-UHFFFAOYSA-N -1 1 381.418 0.490 20 5 GCBDMM COC1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826143858 608421792 /nfs/dbraw/zinc/42/17/92/608421792.db2.gz SPTBRWQYZOGPNQ-UHFFFAOYSA-N -1 1 382.402 0.965 20 5 GCBDMM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826227302 608422091 /nfs/dbraw/zinc/42/20/91/608422091.db2.gz OXVCDAOLMWKJRZ-CBAPKCEASA-N -1 1 388.431 0.166 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825929231 608556637 /nfs/dbraw/zinc/55/66/37/608556637.db2.gz DDAXMQMZFPJEDT-UHFFFAOYSA-N -1 1 385.388 0.714 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825929231 608556639 /nfs/dbraw/zinc/55/66/39/608556639.db2.gz DDAXMQMZFPJEDT-UHFFFAOYSA-N -1 1 385.388 0.714 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000825933438 608560193 /nfs/dbraw/zinc/56/01/93/608560193.db2.gz DQCSOINIFNOFJY-UHFFFAOYSA-N -1 1 389.351 0.924 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000825933438 608560195 /nfs/dbraw/zinc/56/01/95/608560195.db2.gz DQCSOINIFNOFJY-UHFFFAOYSA-N -1 1 389.351 0.924 20 5 GCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826424687 609289444 /nfs/dbraw/zinc/28/94/44/609289444.db2.gz YMOOCGLNERHYPS-UHFFFAOYSA-N -1 1 398.318 0.935 20 5 GCBDMM Cn1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 ZINC000092265977 638613552 /nfs/dbraw/zinc/61/35/52/638613552.db2.gz NJSYMGZDUNDUGY-UHFFFAOYSA-N -1 1 376.192 0.964 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(CC(=O)OC)CCCOC2)c([N+](=O)[O-])n1 ZINC000770298906 640803112 /nfs/dbraw/zinc/80/31/12/640803112.db2.gz MHIVSVWZGOHBJY-CYBMUJFWSA-N -1 1 376.391 0.202 20 5 GCBDMM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000775741186 641084172 /nfs/dbraw/zinc/08/41/72/641084172.db2.gz NACAIAZEULLRLG-QMMMGPOBSA-N -1 1 396.219 0.526 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCOCC3)O2)c([N+](=O)[O-])n1 ZINC000776875699 641118467 /nfs/dbraw/zinc/11/84/67/641118467.db2.gz TXHBWRHHAFCYBQ-SNVBAGLBSA-N -1 1 376.391 0.012 20 5 GCBDMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831431 641713264 /nfs/dbraw/zinc/71/32/64/641713264.db2.gz VSCOEXSTMCEIIL-GFCCVEGCSA-N -1 1 384.769 0.980 20 5 GCBDMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032998 641817250 /nfs/dbraw/zinc/81/72/50/641817250.db2.gz RPBSILCHDUWCNN-GFCCVEGCSA-N -1 1 384.769 0.980 20 5 GCBDMM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000845975692 642462574 /nfs/dbraw/zinc/46/25/74/642462574.db2.gz FUOMDBQDVNYWIB-VIFPVBQESA-N -1 1 383.835 0.560 20 5 GCBDMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000785310979 1192218734 /nfs/dbraw/zinc/21/87/34/1192218734.db2.gz YRNBCOOOLYZUOV-IUCAKERBSA-N -1 1 391.377 0.469 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000573640064 1192909949 /nfs/dbraw/zinc/90/99/49/1192909949.db2.gz NSOSPSKEWHVVQC-RWMBFGLXSA-N -1 1 385.446 0.737 20 5 GCBDMM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])C2=O)n1 ZINC000610267282 1184681190 /nfs/dbraw/zinc/68/11/90/1184681190.db2.gz LSLRFVSCBLYGIF-SNVBAGLBSA-N -1 1 380.386 0.197 20 5 GCBDMM C[C@@H](CN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000478580688 1186522257 /nfs/dbraw/zinc/52/22/57/1186522257.db2.gz CGZZAJFDBCCFKV-VIFPVBQESA-N -1 1 375.345 0.095 20 5 GCBDMM O=C(CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1)NC1CCCCC1 ZINC000277670531 1186559350 /nfs/dbraw/zinc/55/93/50/1186559350.db2.gz HPHMWHFJCQKJAS-UHFFFAOYSA-N -1 1 391.428 0.902 20 5 GCBDMM CCC[C@@H](NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000611847948 1186658027 /nfs/dbraw/zinc/65/80/27/1186658027.db2.gz XCJMMAGXJLHTFI-SNVBAGLBSA-N -1 1 377.361 0.504 20 5 GCBDMM O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000572987138 1186907783 /nfs/dbraw/zinc/90/77/83/1186907783.db2.gz DAVREAALQYWCMJ-GFCCVEGCSA-N -1 1 392.393 0.908 20 5 GCBDMM O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000375908084 1187482774 /nfs/dbraw/zinc/48/27/74/1187482774.db2.gz ZTRUJESQGZXSRP-NSHDSACASA-N -1 1 398.383 0.780 20 5 GCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCN(c3ncccn3)CC2)s1 ZINC000066000941 1187541045 /nfs/dbraw/zinc/54/10/45/1187541045.db2.gz MEWIHFYMMQPVHJ-UHFFFAOYSA-N -1 1 398.470 0.547 20 5 GCBDMM CO[C@@H]1COC[C@H]1n1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nn1 ZINC000290207036 1187913009 /nfs/dbraw/zinc/91/30/09/1187913009.db2.gz USSZCFSCRCHXLM-ZIAGYGMSSA-N -1 1 397.413 0.560 20 5 GCBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1C[C@@H](O)[C@@H](O)C1 ZINC000433816410 1193950161 /nfs/dbraw/zinc/95/01/61/1193950161.db2.gz VSTVUCOKVVBHPS-IYBDPMFKSA-N -1 1 379.394 0.937 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000435805738 1194966426 /nfs/dbraw/zinc/96/64/26/1194966426.db2.gz CHELECNJFGFQNX-VXGBXAGGSA-N -1 1 389.478 0.977 20 5 GCBDMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436754766 1195034283 /nfs/dbraw/zinc/03/42/83/1195034283.db2.gz JOUUXYXHXSNKRU-UHFFFAOYSA-N -1 1 381.366 0.823 20 5 GCBDMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nn1 ZINC000441866604 1195926330 /nfs/dbraw/zinc/92/63/30/1195926330.db2.gz GIBBOMZHCKJPSE-UHFFFAOYSA-N -1 1 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LYFMCDXGOIVCHW-UHFFFAOYSA-N -1 1 383.220 0.627 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nnc3n2CCOC3)cc1Cl ZINC000367724094 530693933 /nfs/dbraw/zinc/69/39/33/530693933.db2.gz VQPRCFOCJXXXCB-UHFFFAOYSA-N -1 1 391.768 0.988 20 5 GCBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000029966608 530774589 /nfs/dbraw/zinc/77/45/89/530774589.db2.gz ZOZFIEHXRQCOFZ-QMMMGPOBSA-N -1 1 380.762 0.631 20 5 GCBDMM CN(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000444964960 530801706 /nfs/dbraw/zinc/80/17/06/530801706.db2.gz JOOXYUNLJBSGGW-UHFFFAOYSA-N -1 1 386.411 0.807 20 5 GCBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000038039639 530833094 /nfs/dbraw/zinc/83/30/94/530833094.db2.gz PCIDXKCIVPQFOO-MRVPVSSYSA-N -1 1 399.244 0.823 20 5 GCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000275065548 530815435 /nfs/dbraw/zinc/81/54/35/530815435.db2.gz ZUXVZNQLWITRLZ-NSHDSACASA-N -1 1 384.439 0.786 20 5 GCBDMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594826598 530886293 /nfs/dbraw/zinc/88/62/93/530886293.db2.gz JQCGUSQFPHFCQA-SCZZXKLOSA-N -1 1 384.819 0.339 20 5 GCBDMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000271808922 530933552 /nfs/dbraw/zinc/93/35/52/530933552.db2.gz YDIWSNFQAPEANL-UHFFFAOYSA-N -1 1 395.235 0.907 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000469362025 530919231 /nfs/dbraw/zinc/91/92/31/530919231.db2.gz YHNPQMYBURDCGN-UHFFFAOYSA-N -1 1 392.440 0.835 20 5 GCBDMM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281082673 530921464 /nfs/dbraw/zinc/92/14/64/530921464.db2.gz CAAMDBOZFKIUSF-UHFFFAOYSA-N -1 1 389.814 0.605 20 5 GCBDMM NC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000281265442 530921923 /nfs/dbraw/zinc/92/19/23/530921923.db2.gz VWRXXMXURJHAPO-UHFFFAOYSA-N -1 1 395.796 0.948 20 5 GCBDMM CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299609791 530927767 /nfs/dbraw/zinc/92/77/67/530927767.db2.gz JBBQINQTFANWAO-UHFFFAOYSA-N -1 1 395.434 0.684 20 5 GCBDMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnccn1 ZINC000608834067 530942573 /nfs/dbraw/zinc/94/25/73/530942573.db2.gz SUXZRZDGZKODKG-UHFFFAOYSA-N -1 1 385.789 0.747 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCNC(=O)c2cccs2)c([N+](=O)[O-])n1 ZINC000611105108 530945063 /nfs/dbraw/zinc/94/50/63/530945063.db2.gz MSWDABDBPCEDDH-UHFFFAOYSA-N -1 1 387.443 0.971 20 5 GCBDMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000441860375 530979197 /nfs/dbraw/zinc/97/91/97/530979197.db2.gz GSIWWPDBNYLDOV-UHFFFAOYSA-N -1 1 389.777 0.491 20 5 GCBDMM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000269900312 530980060 /nfs/dbraw/zinc/98/00/60/530980060.db2.gz YTCAPAQKDRDBAS-SECBINFHSA-N -1 1 381.407 0.436 20 5 GCBDMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000487397397 531040185 /nfs/dbraw/zinc/04/01/85/531040185.db2.gz OBVVBKDDGHYTGM-HTQZYQBOSA-N -1 1 379.416 0.391 20 5 GCBDMM CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000818385720 596902478 /nfs/dbraw/zinc/90/24/78/596902478.db2.gz QAYRIACSSFZXCB-NSHDSACASA-N -1 1 386.430 0.346 20 5 GCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc([N+](=O)[O-])ccc2Cl)c1=O ZINC000736713143 599245220 /nfs/dbraw/zinc/24/52/20/599245220.db2.gz FXVFVWVKPLGAGB-UHFFFAOYSA-N -1 1 377.748 0.820 20 5 GCBDMM O=c1cc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)[nH]c2c(-c3nn[n-]n3)cnn21 ZINC000738372978 599457151 /nfs/dbraw/zinc/45/71/51/599457151.db2.gz YOMYKCHDBHJYRL-UHFFFAOYSA-N -1 1 389.719 0.387 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(NC[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655907 600240828 /nfs/dbraw/zinc/24/08/28/600240828.db2.gz GQXJCSQTOQKUOT-DGCLKSJQSA-N -1 1 379.417 0.455 20 5 GCBDMM O=C([O-])c1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000738674087 600622655 /nfs/dbraw/zinc/62/26/55/600622655.db2.gz YYWSZQHDHNUWPV-OAHLLOKOSA-N -1 1 392.412 0.429 20 5 GCBDMM CC[C@@H](O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736927309 600670600 /nfs/dbraw/zinc/67/06/00/600670600.db2.gz LQGHETXHECGUJL-CYBMUJFWSA-N -1 1 380.401 0.302 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N2CCN(C[C@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827804274 600813023 /nfs/dbraw/zinc/81/30/23/600813023.db2.gz UXPCPDGDPZUODY-FRRDWIJNSA-N -1 1 394.428 0.689 20 5 GCBDMM COc1ncccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826222430 607584138 /nfs/dbraw/zinc/58/41/38/607584138.db2.gz WLQZJXOKDXWELW-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825220808 607585019 /nfs/dbraw/zinc/58/50/19/607585019.db2.gz WXXXBWRVIGATLY-NXEZZACHSA-N -1 1 382.402 0.963 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(C3CC3)no2)c1-c1nn[n-]n1 ZINC000826500011 607601551 /nfs/dbraw/zinc/60/15/51/607601551.db2.gz HXMOTOWFQAMNBN-UHFFFAOYSA-N -1 1 392.357 0.514 20 5 GCBDMM NC(=O)C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826389635 607612146 /nfs/dbraw/zinc/61/21/46/607612146.db2.gz DAFCUZKNICDLNL-UHFFFAOYSA-N -1 1 395.401 0.097 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CCO)CC2)c1-c1nn[n-]n1 ZINC000826500267 607624256 /nfs/dbraw/zinc/62/42/56/607624256.db2.gz RAHLRABGKXZWEY-UHFFFAOYSA-N -1 1 382.402 0.558 20 5 GCBDMM CCC[C@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825242553 607656116 /nfs/dbraw/zinc/65/61/16/607656116.db2.gz UUKLLLFYXOSQJY-SNVBAGLBSA-N -1 1 384.418 0.852 20 5 GCBDMM CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825089309 607657474 /nfs/dbraw/zinc/65/74/74/607657474.db2.gz CJIQKXZIDAARPN-UWVGGRQHSA-N -1 1 384.418 0.850 20 5 GCBDMM COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000826112122 607658280 /nfs/dbraw/zinc/65/82/80/607658280.db2.gz SPQBAMDZAQVCPC-LLVKDONJSA-N -1 1 382.358 0.005 20 5 GCBDMM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824442116 607667036 /nfs/dbraw/zinc/66/70/36/607667036.db2.gz UPPHQCZJESFLIX-ZJUUUORDSA-N -1 1 398.401 0.247 20 5 GCBDMM COCCCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826156406 607667842 /nfs/dbraw/zinc/66/78/42/607667842.db2.gz BNKCFYMUGBOXFH-UHFFFAOYSA-N -1 1 398.401 0.201 20 5 GCBDMM C[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824402628 607670199 /nfs/dbraw/zinc/67/01/99/607670199.db2.gz XNTCZWNSDLIZBY-NXEZZACHSA-N -1 1 382.402 0.868 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCOCC1 ZINC000824640426 607673712 /nfs/dbraw/zinc/67/37/12/607673712.db2.gz IMBNXNVSBMQYPU-SECBINFHSA-N -1 1 382.402 0.868 20 5 GCBDMM C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[S@@](C)=O ZINC000824400122 607674517 /nfs/dbraw/zinc/67/45/17/607674517.db2.gz AILVJWNIXCMHCV-OYWLMSRLSA-N -1 1 388.431 0.210 20 5 GCBDMM CC(C)(C)C[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824087374 607677700 /nfs/dbraw/zinc/67/77/00/607677700.db2.gz UDFDFRHEWZTGGL-SECBINFHSA-N -1 1 384.418 0.850 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCC[NH+]2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])n1 ZINC000833683352 604507009 /nfs/dbraw/zinc/50/70/09/604507009.db2.gz MVQHOVXLWZVWAS-UHFFFAOYSA-N -1 1 389.434 0.276 20 5 GCBDMM O=C([O-])[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000833164492 604998050 /nfs/dbraw/zinc/99/80/50/604998050.db2.gz ACLKDPHGRLRLLU-CQSZACIVSA-N -1 1 380.382 0.684 20 5 GCBDMM O=C([O-])[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000833166382 605003595 /nfs/dbraw/zinc/00/35/95/605003595.db2.gz PPXHVINJHVKWFI-CQSZACIVSA-N -1 1 380.382 0.684 20 5 GCBDMM C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824698694 607747557 /nfs/dbraw/zinc/74/75/57/607747557.db2.gz NCAQJDSVTPIBDK-NXEZZACHSA-N -1 1 382.402 0.699 20 5 GCBDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000822541003 606399985 /nfs/dbraw/zinc/39/99/85/606399985.db2.gz KDTYQTURGVDFRY-UHFFFAOYSA-N -1 1 399.327 0.916 20 5 GCBDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000822541003 606399987 /nfs/dbraw/zinc/39/99/87/606399987.db2.gz KDTYQTURGVDFRY-UHFFFAOYSA-N -1 1 399.327 0.916 20 5 GCBDMM CN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821596510 606733178 /nfs/dbraw/zinc/73/31/78/606733178.db2.gz MFOALLFGFVODEQ-SNVBAGLBSA-N -1 1 382.402 0.965 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1-c1nn[n-]n1 ZINC000823648254 606733710 /nfs/dbraw/zinc/73/37/10/606733710.db2.gz SZBHNZCMSXZTMM-UHFFFAOYSA-N -1 1 393.429 0.491 20 5 GCBDMM CN(C[C@H]1CCCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821596696 606735070 /nfs/dbraw/zinc/73/50/70/606735070.db2.gz RQRUJADSZCAFPM-SNVBAGLBSA-N -1 1 382.402 0.822 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000822501198 606770024 /nfs/dbraw/zinc/77/00/24/606770024.db2.gz ZWYQVSIUTHCMSS-JTQLQIEISA-N -1 1 399.419 0.546 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000822501198 606770025 /nfs/dbraw/zinc/77/00/25/606770025.db2.gz ZWYQVSIUTHCMSS-JTQLQIEISA-N -1 1 399.419 0.546 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000820788194 606821938 /nfs/dbraw/zinc/82/19/38/606821938.db2.gz ADXCDWNKAMJJHL-NSHDSACASA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000820788194 606821940 /nfs/dbraw/zinc/82/19/40/606821940.db2.gz ADXCDWNKAMJJHL-NSHDSACASA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000820788725 606829811 /nfs/dbraw/zinc/82/98/11/606829811.db2.gz NADRIUGSAQPSQH-LLVKDONJSA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000820788725 606829813 /nfs/dbraw/zinc/82/98/13/606829813.db2.gz NADRIUGSAQPSQH-LLVKDONJSA-N -1 1 395.383 0.916 20 5 GCBDMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822210492 607026025 /nfs/dbraw/zinc/02/60/25/607026025.db2.gz DZMAMVMZMLUDJU-UHFFFAOYSA-N -1 1 377.342 0.985 20 5 GCBDMM Cc1cc(C)[nH]c(=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000822198660 607154378 /nfs/dbraw/zinc/15/43/78/607154378.db2.gz FBAWRRBYQCGUBQ-UHFFFAOYSA-N -1 1 391.373 0.487 20 5 GCBDMM CN(C1CCC(CO)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825887712 607971158 /nfs/dbraw/zinc/97/11/58/607971158.db2.gz JZFUTDMLDNSMCK-UHFFFAOYSA-N -1 1 396.429 0.947 20 5 GCBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824333269 608096059 /nfs/dbraw/zinc/09/60/59/608096059.db2.gz HLLIUTQXVVIUMD-UHFFFAOYSA-N -1 1 387.356 0.471 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@H]32)c1-c1nn[n-]n1 ZINC000826500085 608303471 /nfs/dbraw/zinc/30/34/71/608303471.db2.gz KPTGOTUMXZMBBG-GHMZBOCLSA-N -1 1 394.413 0.965 20 5 GCBDMM CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826146443 608425027 /nfs/dbraw/zinc/42/50/27/608425027.db2.gz WCJBIUHRQNVLGL-MWLCHTKSSA-N -1 1 382.402 0.868 20 5 GCBDMM CN(CC1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825915248 608446195 /nfs/dbraw/zinc/44/61/95/608446195.db2.gz VVQRVZOXXROYKW-UHFFFAOYSA-N -1 1 382.402 0.822 20 5 GCBDMM Cc1nn(C)c(C)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826333701 608562630 /nfs/dbraw/zinc/56/26/30/608562630.db2.gz RLLMVGXFYCXNKB-UHFFFAOYSA-N -1 1 379.358 0.893 20 5 GCBDMM COc1ncccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826221992 609497309 /nfs/dbraw/zinc/49/73/09/609497309.db2.gz DCULYPLALRBPRN-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM Cn1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n(C)c1=O ZINC000757350673 640508076 /nfs/dbraw/zinc/50/80/76/640508076.db2.gz IVRABOWOXGIZJZ-UHFFFAOYSA-N -1 1 388.789 0.124 20 5 GCBDMM CN(C)C(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])O1 ZINC000774784422 640895142 /nfs/dbraw/zinc/89/51/42/640895142.db2.gz NTRGNQQXCGARRL-GXSJLCMTSA-N -1 1 375.378 0.648 20 5 GCBDMM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000800955274 642105138 /nfs/dbraw/zinc/10/51/38/642105138.db2.gz QDEHBSMPIPSTJN-UHFFFAOYSA-N -1 1 383.835 0.607 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c1Cl ZINC000841547226 642309671 /nfs/dbraw/zinc/30/96/71/642309671.db2.gz AGSGMLNQMBBNQW-ZETCQYMHSA-N -1 1 396.212 0.833 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c1Cl ZINC000841547225 642309743 /nfs/dbraw/zinc/30/97/43/642309743.db2.gz AGSGMLNQMBBNQW-SSDOTTSWSA-N -1 1 396.212 0.833 20 5 GCBDMM NC(=O)[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000848503566 642544120 /nfs/dbraw/zinc/54/41/20/642544120.db2.gz IJZFINTZKQLTEU-LLVKDONJSA-N -1 1 384.197 0.824 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC000849395607 642641380 /nfs/dbraw/zinc/64/13/80/642641380.db2.gz HFIQGCFFOOIOCB-LLVKDONJSA-N -1 1 384.819 0.076 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000859308969 642998467 /nfs/dbraw/zinc/99/84/67/642998467.db2.gz ZBNMCXJURHZSRA-GHMZBOCLSA-N -1 1 395.434 0.873 20 5 GCBDMM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000512079021 1192428525 /nfs/dbraw/zinc/42/85/25/1192428525.db2.gz WMGCTOFAUMVMNC-UHFFFAOYSA-N -1 1 396.385 0.315 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000573640061 1192910147 /nfs/dbraw/zinc/91/01/47/1192910147.db2.gz NSOSPSKEWHVVQC-FRRDWIJNSA-N -1 1 385.446 0.737 20 5 GCBDMM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275006103 1184456007 /nfs/dbraw/zinc/45/60/07/1184456007.db2.gz VUNKGWAZJNMNQV-UHFFFAOYSA-N -1 1 394.384 0.569 20 5 GCBDMM C[C@@H](CN(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000478087209 1186504321 /nfs/dbraw/zinc/50/43/21/1186504321.db2.gz QYMGROJOFKOBPC-JTQLQIEISA-N -1 1 397.417 0.038 20 5 GCBDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000277666252 1186557632 /nfs/dbraw/zinc/55/76/32/1186557632.db2.gz JMIPRQZHTADTLB-UHFFFAOYSA-N -1 1 377.361 0.492 20 5 GCBDMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277741002 1186584579 /nfs/dbraw/zinc/58/45/79/1186584579.db2.gz HZRORKMIMUVNIM-OAHLLOKOSA-N -1 1 385.380 0.680 20 5 GCBDMM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277740996 1186584771 /nfs/dbraw/zinc/58/47/71/1186584771.db2.gz HZRORKMIMUVNIM-HNNXBMFYSA-N -1 1 385.380 0.680 20 5 GCBDMM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277976562 1186730491 /nfs/dbraw/zinc/73/04/91/1186730491.db2.gz VLGACNVNADFKPT-SNVBAGLBSA-N -1 1 377.309 0.594 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCC(=O)NCc2cccnc2)c([N+](=O)[O-])n1 ZINC000583037747 1186754597 /nfs/dbraw/zinc/75/45/97/1186754597.db2.gz OAEJDFGDIHURAS-UHFFFAOYSA-N -1 1 382.402 0.191 20 5 GCBDMM CCOC(=O)c1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1 ZINC000377600417 1188086177 /nfs/dbraw/zinc/08/61/77/1188086177.db2.gz MOPIDWKIIFBOGC-LBPRGKRZSA-N -1 1 376.329 0.498 20 5 GCBDMM O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365775493 1189470254 /nfs/dbraw/zinc/47/02/54/1189470254.db2.gz BCQODHMYNFZYNX-NSHDSACASA-N -1 1 398.383 0.780 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000549544258 1190034523 /nfs/dbraw/zinc/03/45/23/1190034523.db2.gz DGQFXRZWJXEYBP-OAHLLOKOSA-N -1 1 392.437 0.687 20 5 GCBDMM Cn1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000292080786 1193722638 /nfs/dbraw/zinc/72/26/38/1193722638.db2.gz RAGAIQODPXGSHI-UHFFFAOYSA-N -1 1 382.398 0.206 20 5 GCBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1C[C@@H](O)[C@H](O)C1 ZINC000433816409 1193950186 /nfs/dbraw/zinc/95/01/86/1193950186.db2.gz VSTVUCOKVVBHPS-HZPDHXFCSA-N -1 1 379.394 0.937 20 5 GCBDMM CS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000513487275 1193956986 /nfs/dbraw/zinc/95/69/86/1193956986.db2.gz AONOQJHNPDAEQB-UHFFFAOYSA-N -1 1 380.386 0.711 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)NC)c2)c([N+](=O)[O-])n1 ZINC000435807900 1194966471 /nfs/dbraw/zinc/96/64/71/1194966471.db2.gz KSEYQNBJVIIGRP-UHFFFAOYSA-N -1 1 381.414 0.692 20 5 GCBDMM CN(C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000436925021 1195048195 /nfs/dbraw/zinc/04/81/95/1195048195.db2.gz YWEJYPRRZVKXJW-LBPRGKRZSA-N -1 1 385.442 0.881 20 5 GCBDMM CN1CCN(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)CC1 ZINC000518761105 1195327134 /nfs/dbraw/zinc/32/71/34/1195327134.db2.gz PSXBAPHTJLAFPV-UHFFFAOYSA-N -1 1 377.401 0.322 20 5 GCBDMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000441529843 1195779055 /nfs/dbraw/zinc/77/90/55/1195779055.db2.gz NYEOPMZWJDQETL-UHFFFAOYSA-N -1 1 394.365 0.338 20 5 GCBDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000427902584 1195892127 /nfs/dbraw/zinc/89/21/27/1195892127.db2.gz FOIUKXUXTSPVAS-UHFFFAOYSA-N -1 1 383.386 0.779 20 5 GCBDMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164478 1196555659 /nfs/dbraw/zinc/55/56/59/1196555659.db2.gz WYHHNYIBFGEWJK-UHFFFAOYSA-N -1 1 380.382 0.876 20 5 GCBDMM NC(=O)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000524648740 1196613123 /nfs/dbraw/zinc/61/31/23/1196613123.db2.gz ITRBPQVXQFJVSG-NSHDSACASA-N -1 1 382.373 0.751 20 5 GCBDMM O=C1NC2(CCCC2)C(=O)N1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184741 1196654561 /nfs/dbraw/zinc/65/45/61/1196654561.db2.gz RMQWBTHVYBNSHC-UHFFFAOYSA-N -1 1 397.413 0.523 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C(=O)NCc2ccccc2)c([N+](=O)[O-])n1 ZINC000532854200 1197415993 /nfs/dbraw/zinc/41/59/93/1197415993.db2.gz PDLDMIDRQFPPLF-LLVKDONJSA-N -1 1 381.414 0.794 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000533634583 1197463520 /nfs/dbraw/zinc/46/35/20/1197463520.db2.gz DPISHIYLOAPTCP-UHFFFAOYSA-N -1 1 379.398 0.679 20 5 GCBDMM C[C@@H](CN(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000273550025 1199029173 /nfs/dbraw/zinc/02/91/73/1199029173.db2.gz VLFRPOKAFUUFMZ-QMMMGPOBSA-N -1 1 379.402 0.561 20 5 GCBDMM Cn1cc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000265814138 1199401524 /nfs/dbraw/zinc/40/15/24/1199401524.db2.gz QKVFOYVXZHDQRP-UHFFFAOYSA-N -1 1 396.425 0.293 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])n1 ZINC000611107750 1201216622 /nfs/dbraw/zinc/21/66/22/1201216622.db2.gz ICEGDSFLXVRKPL-MRVPVSSYSA-N -1 1 399.351 0.643 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c([N+](=O)[O-])n1 ZINC000611106417 1201216813 /nfs/dbraw/zinc/21/68/13/1201216813.db2.gz BVYVATMPUPJVGP-KOLCDFICSA-N -1 1 397.417 0.017 20 5 GCBDMM Cn1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000732089099 1201520273 /nfs/dbraw/zinc/52/02/73/1201520273.db2.gz BIEGUEZQHJBESK-CYBMUJFWSA-N -1 1 384.356 0.722 20 5 GCBDMM O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001169850858 1201957945 /nfs/dbraw/zinc/95/79/45/1201957945.db2.gz IRFJPJOWZVLLGW-UHFFFAOYSA-N -1 1 380.792 0.890 20 5 GCBDMM CCN(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000769045317 1202042101 /nfs/dbraw/zinc/04/21/01/1202042101.db2.gz BATDRJNQXRTXBS-LLVKDONJSA-N -1 1 386.382 0.493 20 5 GCBDMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000770129625 1202086398 /nfs/dbraw/zinc/08/63/98/1202086398.db2.gz RISNVHYLKQVQRN-UHFFFAOYSA-N -1 1 387.418 0.040 20 5 GCBDMM O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000787902877 1205406286 /nfs/dbraw/zinc/40/62/86/1205406286.db2.gz SBXPYADYXLKRHR-CHWSQXEVSA-N -1 1 389.397 0.918 20 5 GCBDMM COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2=O)cc1 ZINC000808146676 1205600462 /nfs/dbraw/zinc/60/04/62/1205600462.db2.gz BQMGCEDFCPPEQZ-INIZCTEOSA-N -1 1 388.340 0.747 20 5 GCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000823131247 946323965 /nfs/dbraw/zinc/32/39/65/946323965.db2.gz DKXKPSQEKQHVHN-UHFFFAOYSA-N -1 1 381.316 0.395 20 5 GCBDMM O=[N+]([O-])c1ccc(-n2cnnc2-c2nn[n-]n2)c(S(=O)(=O)N2CCCC2)c1 ZINC000823635255 946460395 /nfs/dbraw/zinc/46/03/95/946460395.db2.gz UNBQIKCYZWTEEX-UHFFFAOYSA-N -1 1 391.373 0.140 20 5 GCBDMM CC(C)[C@@H](O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824201009 946618186 /nfs/dbraw/zinc/61/81/86/946618186.db2.gz WHYPUNAGJKTQFX-CYBMUJFWSA-N -1 1 396.429 0.850 20 5 GCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852957712 955889408 /nfs/dbraw/zinc/88/94/08/955889408.db2.gz SLTPKVWIDZAWHJ-WPRPVWTQSA-N -1 1 392.290 0.670 20 5 GCBDMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000852957875 969301706 /nfs/dbraw/zinc/30/17/06/969301706.db2.gz XWBAYJQTJNQEAR-IONNQARKSA-N -1 1 378.263 0.659 20 5 GCBDMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000852957873 969302097 /nfs/dbraw/zinc/30/20/97/969302097.db2.gz XWBAYJQTJNQEAR-APPZFPTMSA-N -1 1 378.263 0.659 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000600665872 975005124 /nfs/dbraw/zinc/00/51/24/975005124.db2.gz ZHTNJIOHGFXCKA-ZYHUDNBSSA-N -1 1 382.398 0.939 20 5 GCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000827362529 978956892 /nfs/dbraw/zinc/95/68/92/978956892.db2.gz PGAIREYPQGQIOM-LBPRGKRZSA-N -1 1 379.369 0.794 20 5 GCBDMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001592722675 979226248 /nfs/dbraw/zinc/22/62/48/979226248.db2.gz JZVXWZWGEPKAJW-LLVKDONJSA-N -1 1 386.430 0.207 20 5 GCBDMM COc1ccc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-] ZINC001118913454 982966792 /nfs/dbraw/zinc/96/67/92/982966792.db2.gz HWXVJFPRCSCCFG-GOSISDBHSA-N -1 1 393.396 0.534 20 5 GCBDMM C[C@H](C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589343679 986275842 /nfs/dbraw/zinc/27/58/42/986275842.db2.gz WSHFSSPNKGPBPX-AWEZNQCLSA-N -1 1 378.429 0.859 20 5 GCBDMM COc1cccc(C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599671249 994816230 /nfs/dbraw/zinc/81/62/30/994816230.db2.gz DCHHKFXEEZEEFF-GFCCVEGCSA-N -1 1 381.366 0.973 20 5 GCBDMM CC1=C(C(=O)[O-])C[C@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC001594098897 998088208 /nfs/dbraw/zinc/08/82/08/998088208.db2.gz MXVABDPQTLDSNN-CYBMUJFWSA-N -1 1 399.425 0.952 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])n1 ZINC000611109029 530233038 /nfs/dbraw/zinc/23/30/38/530233038.db2.gz ZUPUANYHVUXKRR-NXEZZACHSA-N -1 1 380.448 0.445 20 5 GCBDMM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518780712 530234913 /nfs/dbraw/zinc/23/49/13/530234913.db2.gz VGZGLGPXSOJOET-MRVPVSSYSA-N -1 1 383.835 0.560 20 5 GCBDMM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518780713 530235016 /nfs/dbraw/zinc/23/50/16/530235016.db2.gz VGZGLGPXSOJOET-QMMMGPOBSA-N -1 1 383.835 0.560 20 5 GCBDMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O ZINC000287578791 530250975 /nfs/dbraw/zinc/25/09/75/530250975.db2.gz YDTZAQGHEWXBHJ-ZETCQYMHSA-N -1 1 392.187 0.393 20 5 GCBDMM CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289271049 530263284 /nfs/dbraw/zinc/26/32/84/530263284.db2.gz DAVPRWFTZDHOKJ-UHFFFAOYSA-N -1 1 392.242 0.729 20 5 GCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000516343652 530311060 /nfs/dbraw/zinc/31/10/60/530311060.db2.gz PCRLWJQNQPQJRC-UHFFFAOYSA-N -1 1 383.835 0.608 20 5 GCBDMM CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000266175484 530453008 /nfs/dbraw/zinc/45/30/08/530453008.db2.gz KHAJUKWMVSHQFN-UHFFFAOYSA-N -1 1 386.835 0.588 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000467056702 530570547 /nfs/dbraw/zinc/57/05/47/530570547.db2.gz GIBPQZLKMWQJPK-CYBMUJFWSA-N -1 1 378.407 0.182 20 5 GCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000275065546 530811086 /nfs/dbraw/zinc/81/10/86/530811086.db2.gz ZUXVZNQLWITRLZ-LLVKDONJSA-N -1 1 384.439 0.786 20 5 GCBDMM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298937536 530854941 /nfs/dbraw/zinc/85/49/41/530854941.db2.gz COJZCOJSGIEDGR-UHFFFAOYSA-N -1 1 383.423 0.684 20 5 GCBDMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1=O ZINC000296056761 530858881 /nfs/dbraw/zinc/85/88/81/530858881.db2.gz OUPZCKQLXKJACE-LURJTMIESA-N -1 1 382.181 0.937 20 5 GCBDMM O=C1[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000533307171 530901083 /nfs/dbraw/zinc/90/10/83/530901083.db2.gz GCYXXFUEFFUXDU-QMMMGPOBSA-N -1 1 382.320 0.821 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCCOC2)c([N+](=O)[O-])n1 ZINC000595368113 530901555 /nfs/dbraw/zinc/90/15/55/530901555.db2.gz SRTHBETYQGQSOX-AWEZNQCLSA-N -1 1 376.435 0.657 20 5 GCBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H](C)O ZINC000275801943 530909839 /nfs/dbraw/zinc/90/98/39/530909839.db2.gz PMWHPDLJIWQRBK-QUBYGPBYSA-N -1 1 397.203 0.558 20 5 GCBDMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594826015 530885438 /nfs/dbraw/zinc/88/54/38/530885438.db2.gz FUECYVIYOMJXTG-SCZZXKLOSA-N -1 1 384.819 0.339 20 5 GCBDMM Cc1nc([C@@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000600665453 530931276 /nfs/dbraw/zinc/93/12/76/530931276.db2.gz RNXRRIYKLDXYSG-ZCFIWIBFSA-N -1 1 375.388 0.831 20 5 GCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(O)CCS(=O)(=O)CC1 ZINC000556407680 530933448 /nfs/dbraw/zinc/93/34/48/530933448.db2.gz NMWRQLNYMRFKOR-UHFFFAOYSA-N -1 1 398.846 0.466 20 5 GCBDMM CCOC(=O)CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000278123048 530915772 /nfs/dbraw/zinc/91/57/72/530915772.db2.gz LYMAENWUQAKJGP-VIFPVBQESA-N -1 1 378.334 0.809 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000469292605 530918765 /nfs/dbraw/zinc/91/87/65/530918765.db2.gz YCXNAEAEOGPYSA-UHFFFAOYSA-N -1 1 389.415 0.112 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])n1 ZINC000611109032 530946057 /nfs/dbraw/zinc/94/60/57/530946057.db2.gz ZUPUANYHVUXKRR-ZJUUUORDSA-N -1 1 380.448 0.445 20 5 GCBDMM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000269837132 530947994 /nfs/dbraw/zinc/94/79/94/530947994.db2.gz BBBYENDGMNCKIB-SNVBAGLBSA-N -1 1 397.862 0.951 20 5 GCBDMM NC(=O)CSc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000822873828 599250730 /nfs/dbraw/zinc/25/07/30/599250730.db2.gz LTBHLIYYNCDPTJ-UHFFFAOYSA-N -1 1 397.427 0.750 20 5 GCBDMM COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000737110921 598259123 /nfs/dbraw/zinc/25/91/23/598259123.db2.gz DXKQWYLOIKZDTE-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000737110921 598259124 /nfs/dbraw/zinc/25/91/24/598259124.db2.gz DXKQWYLOIKZDTE-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738368677 598262903 /nfs/dbraw/zinc/26/29/03/598262903.db2.gz IHYYUHRGSNIUDA-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738368677 598262905 /nfs/dbraw/zinc/26/29/05/598262905.db2.gz IHYYUHRGSNIUDA-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM O=c1n(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)nc2n1CCCC2 ZINC000823665726 607347498 /nfs/dbraw/zinc/34/74/98/607347498.db2.gz SZCQHEXFGPHVAA-UHFFFAOYSA-N -1 1 385.388 0.972 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCC[C@@H](O)C2)cc1N1CCC[C@H](O)C1 ZINC000738359475 599362953 /nfs/dbraw/zinc/36/29/53/599362953.db2.gz RUUZIKLSVOKSJZ-OLZOCXBDSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCC[C@@H](O)C2)cc1N1CCC[C@H](O)C1 ZINC000738359475 599362956 /nfs/dbraw/zinc/36/29/56/599362956.db2.gz RUUZIKLSVOKSJZ-OLZOCXBDSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCC[C@@H](O)C2)cc1N1CCC[C@@H](O)C1 ZINC000738359473 599362979 /nfs/dbraw/zinc/36/29/79/599362979.db2.gz RUUZIKLSVOKSJZ-CHWSQXEVSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCC[C@@H](O)C2)cc1N1CCC[C@@H](O)C1 ZINC000738359473 599362983 /nfs/dbraw/zinc/36/29/83/599362983.db2.gz RUUZIKLSVOKSJZ-CHWSQXEVSA-N -1 1 389.416 0.697 20 5 GCBDMM CN(C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597901 607382275 /nfs/dbraw/zinc/38/22/75/607382275.db2.gz KXUDHJLQKUZANV-NSHDSACASA-N -1 1 398.387 0.302 20 5 GCBDMM CN(C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597901 607382277 /nfs/dbraw/zinc/38/22/77/607382277.db2.gz KXUDHJLQKUZANV-NSHDSACASA-N -1 1 398.387 0.302 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CC[C@H](CO)C2)cc1N1CC[C@@H](CO)C1 ZINC000823614757 599570171 /nfs/dbraw/zinc/57/01/71/599570171.db2.gz SITYVYPQUAQAGH-NWDGAFQWSA-N -1 1 389.416 0.412 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CC[C@H](CO)C2)cc1N1CC[C@@H](CO)C1 ZINC000823614757 599570173 /nfs/dbraw/zinc/57/01/73/599570173.db2.gz SITYVYPQUAQAGH-NWDGAFQWSA-N -1 1 389.416 0.412 20 5 GCBDMM C[C@H](CN1CCN(C)CC1)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736584606 600008479 /nfs/dbraw/zinc/00/84/79/600008479.db2.gz DTYXGAGJIXXHOM-CHWSQXEVSA-N -1 1 393.444 0.846 20 5 GCBDMM CC[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825068366 607450061 /nfs/dbraw/zinc/45/00/61/607450061.db2.gz QRYNMOMNQUILSJ-GFCCVEGCSA-N -1 1 388.432 0.812 20 5 GCBDMM CC[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825068366 607450063 /nfs/dbraw/zinc/45/00/63/607450063.db2.gz QRYNMOMNQUILSJ-GFCCVEGCSA-N -1 1 388.432 0.812 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000739812092 600670961 /nfs/dbraw/zinc/67/09/61/600670961.db2.gz HGIHYKUGJZTZNX-GDBMZVCRSA-N -1 1 392.412 0.445 20 5 GCBDMM O=C([O-])c1ccc(-c2nnn(CC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000739369958 600990412 /nfs/dbraw/zinc/99/04/12/600990412.db2.gz VHQIFJGAMRIGLE-UHFFFAOYSA-N -1 1 396.319 0.903 20 5 GCBDMM COc1cc(OCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000600869139 601090996 /nfs/dbraw/zinc/09/09/96/601090996.db2.gz KNVZJGWUSSAGAE-GFCCVEGCSA-N -1 1 381.385 0.990 20 5 GCBDMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828448104 601815910 /nfs/dbraw/zinc/81/59/10/601815910.db2.gz BEFWNRSFVPJOCQ-JUKMUDQWSA-N -1 1 376.369 0.972 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826500244 607552403 /nfs/dbraw/zinc/55/24/03/607552403.db2.gz PQWZXHUILAJYSK-GHMZBOCLSA-N -1 1 394.413 0.822 20 5 GCBDMM CCCCN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825281399 607586934 /nfs/dbraw/zinc/58/69/34/607586934.db2.gz CYHMOMQTHKNVAG-UHFFFAOYSA-N -1 1 383.390 0.051 20 5 GCBDMM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824908197 607591414 /nfs/dbraw/zinc/59/14/14/607591414.db2.gz NMJBCMXOZKUDPZ-RKDXNWHRSA-N -1 1 395.401 0.049 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3ccnc3C2)c1-c1nn[n-]n1 ZINC000826500090 607622161 /nfs/dbraw/zinc/62/21/61/607622161.db2.gz KTRKLCJYEUWCIV-UHFFFAOYSA-N -1 1 376.358 0.176 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(CO)c2)c1-c1nn[n-]n1 ZINC000826500016 607633335 /nfs/dbraw/zinc/63/33/35/607633335.db2.gz IEDGISQBJLKLOW-UHFFFAOYSA-N -1 1 390.381 0.746 20 5 GCBDMM CC[C@@H](C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825051588 607635880 /nfs/dbraw/zinc/63/58/80/607635880.db2.gz RUTOCMRYIBUMSP-YMTOWFKASA-N -1 1 384.418 0.850 20 5 GCBDMM CSC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826226617 607639703 /nfs/dbraw/zinc/63/97/03/607639703.db2.gz CUGJRJGIDTYBOZ-LBPRGKRZSA-N -1 1 388.431 0.167 20 5 GCBDMM CSC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826228639 607642877 /nfs/dbraw/zinc/64/28/77/607642877.db2.gz VVZKVGQKDUYKAU-MRVPVSSYSA-N -1 1 388.431 0.167 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826499988 607643557 /nfs/dbraw/zinc/64/35/57/607643557.db2.gz HJFSYJJIKCDFEV-KOLCDFICSA-N -1 1 382.402 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826500485 607645997 /nfs/dbraw/zinc/64/59/97/607645997.db2.gz ZSGUMVNSJRRMNZ-VHSXEESVSA-N -1 1 382.402 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cscn2)c1-c1nn[n-]n1 ZINC000826500089 607646115 /nfs/dbraw/zinc/64/61/15/607646115.db2.gz KTQUTNUUBMEYGQ-UHFFFAOYSA-N -1 1 381.399 0.752 20 5 GCBDMM CC1(O)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824838918 607663789 /nfs/dbraw/zinc/66/37/89/607663789.db2.gz WZQCUHJNSVPFFK-UHFFFAOYSA-N -1 1 382.402 0.747 20 5 GCBDMM CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C(C)(C)C1=O ZINC000826038415 607669371 /nfs/dbraw/zinc/66/93/71/607669371.db2.gz NGLMIALNZRMHQS-UHFFFAOYSA-N -1 1 395.401 0.016 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC000826500182 607671310 /nfs/dbraw/zinc/67/13/10/607671310.db2.gz NVHWFLPHGDHBHT-VIFPVBQESA-N -1 1 390.385 0.334 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccccn2)c1-c1nn[n-]n1 ZINC000826500189 607671575 /nfs/dbraw/zinc/67/15/75/607671575.db2.gz NYVJINMOCVMRGS-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824691353 607678293 /nfs/dbraw/zinc/67/82/93/607678293.db2.gz ZYPNNPPLTSFFQE-ZJUUUORDSA-N -1 1 382.402 0.556 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CCC3)c1-c1nn[n-]n1 ZINC000826499952 607680699 /nfs/dbraw/zinc/68/06/99/607680699.db2.gz FVIZIIKHAZKJJE-UHFFFAOYSA-N -1 1 380.386 0.719 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(F)n2)c1-c1nn[n-]n1 ZINC000826500035 607680936 /nfs/dbraw/zinc/68/09/36/607680936.db2.gz IYOANYNJBDAHCG-UHFFFAOYSA-N -1 1 379.333 0.788 20 5 GCBDMM O=C([O-])c1ccc(N2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)nn1 ZINC000833783162 604959874 /nfs/dbraw/zinc/95/98/74/604959874.db2.gz WKZNVFBYCFTEOA-UHFFFAOYSA-N -1 1 397.351 0.922 20 5 GCBDMM C[C@@H](CN(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000833516857 605036988 /nfs/dbraw/zinc/03/69/88/605036988.db2.gz ZUIARFQOVFDFNH-NSHDSACASA-N -1 1 388.446 0.592 20 5 GCBDMM CC(C)OCCOC[C@H](O)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820146887 606702511 /nfs/dbraw/zinc/70/25/11/606702511.db2.gz TXEOCFAJMPJFSP-LLVKDONJSA-N -1 1 381.393 0.409 20 5 GCBDMM CC(C)OCCOC[C@H](O)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820146887 606702513 /nfs/dbraw/zinc/70/25/13/606702513.db2.gz TXEOCFAJMPJFSP-LLVKDONJSA-N -1 1 381.393 0.409 20 5 GCBDMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1=O ZINC000821620314 606715413 /nfs/dbraw/zinc/71/54/13/606715413.db2.gz FLURTVFICCAMHZ-GLEZIHRCSA-N -1 1 387.360 0.302 20 5 GCBDMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1=O ZINC000821620314 606715414 /nfs/dbraw/zinc/71/54/14/606715414.db2.gz FLURTVFICCAMHZ-GLEZIHRCSA-N -1 1 387.360 0.302 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823620189 606720297 /nfs/dbraw/zinc/72/02/97/606720297.db2.gz HXIWCXGDKKVTFH-UHFFFAOYSA-N -1 1 394.417 0.538 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823620189 606720298 /nfs/dbraw/zinc/72/02/98/606720298.db2.gz HXIWCXGDKKVTFH-UHFFFAOYSA-N -1 1 394.417 0.538 20 5 GCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC(C)(C)O1 ZINC000820766867 606732531 /nfs/dbraw/zinc/73/25/31/606732531.db2.gz DJNBMCNRDJFCND-SECBINFHSA-N -1 1 382.402 0.963 20 5 GCBDMM CCOC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821367352 606733097 /nfs/dbraw/zinc/73/30/97/606733097.db2.gz HKJTZAUBYOQOHJ-UHFFFAOYSA-N -1 1 382.402 0.965 20 5 GCBDMM NC(=O)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000822865052 606733427 /nfs/dbraw/zinc/73/34/27/606733427.db2.gz TZDUCSXGOGOZND-UHFFFAOYSA-N -1 1 395.401 0.051 20 5 GCBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822969698 607110061 /nfs/dbraw/zinc/11/00/61/607110061.db2.gz XVVGKNXHJZCTNW-UHFFFAOYSA-N -1 1 388.369 0.990 20 5 GCBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822969698 607110062 /nfs/dbraw/zinc/11/00/62/607110062.db2.gz XVVGKNXHJZCTNW-UHFFFAOYSA-N -1 1 388.369 0.990 20 5 GCBDMM CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1C ZINC000825465396 607819146 /nfs/dbraw/zinc/81/91/46/607819146.db2.gz LAHQLSBWLKZBSJ-JTQLQIEISA-N -1 1 381.418 0.490 20 5 GCBDMM CC(C)C(=O)NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824177280 607907519 /nfs/dbraw/zinc/90/75/19/607907519.db2.gz GISROTBTPKIGCG-UHFFFAOYSA-N -1 1 397.417 0.216 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c1-c1nn[n-]n1 ZINC000826500477 607971607 /nfs/dbraw/zinc/97/16/07/607971607.db2.gz ZQEOQLWXUALPGJ-UWVGGRQHSA-N -1 1 382.402 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826499486 607974789 /nfs/dbraw/zinc/97/47/89/607974789.db2.gz KIETYKIZMJQEIJ-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826499486 607974790 /nfs/dbraw/zinc/97/47/90/607974790.db2.gz KIETYKIZMJQEIJ-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM C[C@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(F)(F)F ZINC000824671464 608026462 /nfs/dbraw/zinc/02/64/62/608026462.db2.gz ZLSMVIVESNKUAQ-JTQLQIEISA-N -1 1 396.307 0.367 20 5 GCBDMM NC(=O)c1cc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n[nH]1 ZINC000826392925 608293314 /nfs/dbraw/zinc/29/33/14/608293314.db2.gz UAXBLSOYOYFBMW-QMMMGPOBSA-N -1 1 384.360 0.376 20 5 GCBDMM NC(=O)c1cc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n[nH]1 ZINC000826392925 608293316 /nfs/dbraw/zinc/29/33/16/608293316.db2.gz UAXBLSOYOYFBMW-QMMMGPOBSA-N -1 1 384.360 0.376 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3COCC[C@H]32)c1-c1nn[n-]n1 ZINC000826500088 608303807 /nfs/dbraw/zinc/30/38/07/608303807.db2.gz KPTGOTUMXZMBBG-WDEREUQCSA-N -1 1 394.413 0.965 20 5 GCBDMM CC(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824225791 609331985 /nfs/dbraw/zinc/33/19/85/609331985.db2.gz VWIOCAYZMBZKEO-LLVKDONJSA-N -1 1 382.402 0.820 20 5 GCBDMM CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908533 609333918 /nfs/dbraw/zinc/33/39/18/609333918.db2.gz JCDDTHOVONQTAA-CMPLNLGQSA-N -1 1 396.429 0.947 20 5 GCBDMM CC[C@@](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)(C(N)=O)C(C)C ZINC000825149526 609401659 /nfs/dbraw/zinc/40/16/59/609401659.db2.gz ZPLPYYSCSUEOFX-AWEZNQCLSA-N -1 1 397.417 0.343 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824640375 609580067 /nfs/dbraw/zinc/58/00/67/609580067.db2.gz HJLCSMVNZGFJPK-ZJUUUORDSA-N -1 1 382.402 0.868 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000725823283 638565391 /nfs/dbraw/zinc/56/53/91/638565391.db2.gz KTYMOUUMRPEEOZ-UHFFFAOYSA-N -1 1 383.835 0.608 20 5 GCBDMM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1 ZINC000759168151 640544349 /nfs/dbraw/zinc/54/43/49/640544349.db2.gz MOHLNGNECKZDJJ-UHFFFAOYSA-N -1 1 390.374 0.838 20 5 GCBDMM Cc1cc(Br)c(NC(=O)C(=O)NCc2nn[n-]n2)cc1[N+](=O)[O-] ZINC000784714389 641292238 /nfs/dbraw/zinc/29/22/38/641292238.db2.gz HERBHPKDCTYTJR-UHFFFAOYSA-N -1 1 384.150 0.434 20 5 GCBDMM NC(=O)CN1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814982910 641814756 /nfs/dbraw/zinc/81/47/56/641814756.db2.gz UHPULFCBHPHYCS-UHFFFAOYSA-N -1 1 394.812 0.615 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nnc2n1CCOC2 ZINC000815043773 641817836 /nfs/dbraw/zinc/81/78/36/641817836.db2.gz UNDJICCPNALNDO-UHFFFAOYSA-N -1 1 391.768 0.988 20 5 GCBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c(Cl)cc1Cl ZINC000841547662 642310423 /nfs/dbraw/zinc/31/04/23/642310423.db2.gz HQKZZJIZKHSSBY-ZETCQYMHSA-N -1 1 396.212 0.833 20 5 GCBDMM O=C1C[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CN1 ZINC000841554065 642312290 /nfs/dbraw/zinc/31/22/90/642312290.db2.gz JEOQTSSKYYFXBZ-LURJTMIESA-N -1 1 396.194 0.911 20 5 GCBDMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000842342516 642331446 /nfs/dbraw/zinc/33/14/46/642331446.db2.gz LTAHBDRKAQJUEK-RKDXNWHRSA-N -1 1 377.400 0.117 20 5 GCBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000473291347 1192856238 /nfs/dbraw/zinc/85/62/38/1192856238.db2.gz KEFIIGHLGISVJU-UHFFFAOYSA-N -1 1 375.341 0.767 20 5 GCBDMM O=C(CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000274910908 1184422052 /nfs/dbraw/zinc/42/20/52/1184422052.db2.gz UEQTYMXQFIBWEV-UHFFFAOYSA-N -1 1 391.428 0.856 20 5 GCBDMM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000610267908 1184684566 /nfs/dbraw/zinc/68/45/66/1184684566.db2.gz QDFBBSCVFVJRLY-SNVBAGLBSA-N -1 1 380.386 0.116 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2nnnn2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000611107585 1186069966 /nfs/dbraw/zinc/06/99/66/1186069966.db2.gz TVGSRGUNABHREW-SNVBAGLBSA-N -1 1 392.401 0.826 20 5 GCBDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000277830657 1186627551 /nfs/dbraw/zinc/62/75/51/1186627551.db2.gz WBHWKKZBIQZXOE-UHFFFAOYSA-N -1 1 377.361 0.492 20 5 GCBDMM CCOC1CC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)(N2CCOCC2)C1 ZINC000278488275 1186958628 /nfs/dbraw/zinc/95/86/28/1186958628.db2.gz PJCSEINJYKAXEF-UHFFFAOYSA-N -1 1 380.401 0.695 20 5 GCBDMM NC(=O)c1cc(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)ccn1 ZINC000365190828 1187495729 /nfs/dbraw/zinc/49/57/29/1187495729.db2.gz CSPCMGADEYBJDZ-UHFFFAOYSA-N -1 1 387.352 0.873 20 5 GCBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000612676928 1187555646 /nfs/dbraw/zinc/55/56/46/1187555646.db2.gz RCYUJWABQDAPBX-FZMZJTMJSA-N -1 1 393.425 0.942 20 5 GCBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000612676929 1187555890 /nfs/dbraw/zinc/55/58/90/1187555890.db2.gz RCYUJWABQDAPBX-RISCZKNCSA-N -1 1 393.425 0.942 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000366997065 1194347986 /nfs/dbraw/zinc/34/79/86/1194347986.db2.gz QEXULMLSTKFXRT-SMDDNHRTSA-N -1 1 385.398 0.525 20 5 GCBDMM O=C(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccc2)CC1 ZINC000519509950 1195418196 /nfs/dbraw/zinc/41/81/96/1195418196.db2.gz GQANDFHZYGZWJM-UHFFFAOYSA-N -1 1 385.380 0.774 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000366993718 1196007705 /nfs/dbraw/zinc/00/77/05/1196007705.db2.gz FBYVOJOGVYKMID-RISCZKNCSA-N -1 1 385.398 0.525 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000366993718 1196007707 /nfs/dbraw/zinc/00/77/07/1196007707.db2.gz FBYVOJOGVYKMID-RISCZKNCSA-N -1 1 385.398 0.525 20 5 GCBDMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508411317 1196014603 /nfs/dbraw/zinc/01/46/03/1196014603.db2.gz ZGJZYPWYPXNXAC-NSHDSACASA-N -1 1 386.368 0.533 20 5 GCBDMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2=O)c1 ZINC000281125245 1196278610 /nfs/dbraw/zinc/27/86/10/1196278610.db2.gz ILRZMSFUOIDWSL-INIZCTEOSA-N -1 1 388.340 0.747 20 5 GCBDMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000281658228 1196319468 /nfs/dbraw/zinc/31/94/68/1196319468.db2.gz IRGWNHGKBCOIQN-UHFFFAOYSA-N -1 1 380.401 0.163 20 5 GCBDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)n1 ZINC000444658754 1196511775 /nfs/dbraw/zinc/51/17/75/1196511775.db2.gz BWCRQCWAVIHKRY-UHFFFAOYSA-N -1 1 391.388 0.951 20 5 GCBDMM CCOC(=O)c1ccc(N2CC(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)nc1 ZINC000445164416 1196555603 /nfs/dbraw/zinc/55/56/03/1196555603.db2.gz WLWNQPZJRAHPMY-UHFFFAOYSA-N -1 1 387.352 0.886 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2CCN(c3cccnn3)CC2)c([N+](=O)[O-])n1 ZINC000428408768 1196577106 /nfs/dbraw/zinc/57/71/06/1196577106.db2.gz UQNQKDPOOUFLQS-UHFFFAOYSA-N -1 1 381.418 0.549 20 5 GCBDMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000428417591 1196588253 /nfs/dbraw/zinc/58/82/53/1196588253.db2.gz CZWXGIPKDBSWGO-GFCCVEGCSA-N -1 1 397.413 0.659 20 5 GCBDMM O=C(Nc1nnn[n-]1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000524574213 1196607406 /nfs/dbraw/zinc/60/74/06/1196607406.db2.gz KBICTQDAVAXVIN-NSHDSACASA-N -1 1 381.374 0.290 20 5 GCBDMM O=C(Nc1nn[n-]n1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000524574213 1196607408 /nfs/dbraw/zinc/60/74/08/1196607408.db2.gz KBICTQDAVAXVIN-NSHDSACASA-N -1 1 381.374 0.290 20 5 GCBDMM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(c2nn[n-]n2)CCCC1 ZINC000524579269 1196607859 /nfs/dbraw/zinc/60/78/59/1196607859.db2.gz PXHUODHXELIXEM-UHFFFAOYSA-N -1 1 387.356 0.419 20 5 GCBDMM COc1nccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000451641234 1197003951 /nfs/dbraw/zinc/00/39/51/1197003951.db2.gz HGCDGJSTUIDDNW-UHFFFAOYSA-N -1 1 382.354 0.643 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000532772503 1197408439 /nfs/dbraw/zinc/40/84/39/1197408439.db2.gz USRHRXLFECCXNK-JTQLQIEISA-N -1 1 397.365 0.437 20 5 GCBDMM NC(=O)c1ccc(SCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC000533113865 1197433381 /nfs/dbraw/zinc/43/33/81/1197433381.db2.gz VJCMAKJZKPHLNK-JTQLQIEISA-N -1 1 391.413 0.705 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])n1 ZINC000533175545 1197435919 /nfs/dbraw/zinc/43/59/19/1197435919.db2.gz DQQPZHWFWYLSQY-UHFFFAOYSA-N -1 1 393.381 0.386 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCNC(=O)c2cccc(O)c2)c([N+](=O)[O-])n1 ZINC000533175176 1197436021 /nfs/dbraw/zinc/43/60/21/1197436021.db2.gz IUUXFPXXXHJJGG-UHFFFAOYSA-N -1 1 397.413 0.615 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000533551325 1197459089 /nfs/dbraw/zinc/45/90/89/1197459089.db2.gz HRLSRBQHDZMMSI-SECBINFHSA-N -1 1 389.336 0.986 20 5 GCBDMM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000273727863 1199064225 /nfs/dbraw/zinc/06/42/25/1199064225.db2.gz SSGZOXPAGGXPKN-ZDUSSCGKSA-N -1 1 393.425 0.943 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3CCO)c([N+](=O)[O-])n1 ZINC000611105879 1201216615 /nfs/dbraw/zinc/21/66/15/1201216615.db2.gz CMRWAIBAJUQHSL-NSHDSACASA-N -1 1 384.418 0.356 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC000611107504 1201216766 /nfs/dbraw/zinc/21/67/66/1201216766.db2.gz ZGQYBZCTDPEWFX-LLVKDONJSA-N -1 1 394.413 0.399 20 5 GCBDMM O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731880657 1201507341 /nfs/dbraw/zinc/50/73/41/1201507341.db2.gz UJSIOLQXAJSDKA-AWEZNQCLSA-N -1 1 389.372 0.158 20 5 GCBDMM O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]C(=O)c1ccccc1 ZINC000789841620 1205448973 /nfs/dbraw/zinc/44/89/73/1205448973.db2.gz GPYWOVNRKHWTMC-UHFFFAOYSA-N -1 1 385.332 0.824 20 5 GCBDMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nnnn1C1CC1 ZINC000790939116 1205472551 /nfs/dbraw/zinc/47/25/51/1205472551.db2.gz ZHMRPYWBVDVOQK-MRVPVSSYSA-N -1 1 396.385 0.727 20 5 GCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000806893211 1205569485 /nfs/dbraw/zinc/56/94/85/1205569485.db2.gz XWZIIJRYFAWCEE-UHFFFAOYSA-N -1 1 384.352 0.384 20 5 GCBDMM O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC001175930522 1205742589 /nfs/dbraw/zinc/74/25/89/1205742589.db2.gz AHHXLDYFLVYDNC-CQSZACIVSA-N -1 1 378.429 0.827 20 5 GCBDMM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC001188245603 1205977168 /nfs/dbraw/zinc/97/71/68/1205977168.db2.gz HKJOWTSWBLHWDE-HIFRSBDPSA-N -1 1 398.485 0.947 20 5 GCBDMM C[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC001188245600 1205977237 /nfs/dbraw/zinc/97/72/37/1205977237.db2.gz HKJOWTSWBLHWDE-DZGCQCFKSA-N -1 1 398.485 0.947 20 5 GCBDMM CS(=O)(=O)c1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc([N+](=O)[O-])c1 ZINC000821936895 945906148 /nfs/dbraw/zinc/90/61/48/945906148.db2.gz HOBBCLCVKRWKBG-UHFFFAOYSA-N -1 1 395.382 0.887 20 5 GCBDMM CS(=O)(=O)c1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc([N+](=O)[O-])c1 ZINC000821936895 945906154 /nfs/dbraw/zinc/90/61/54/945906154.db2.gz HOBBCLCVKRWKBG-UHFFFAOYSA-N -1 1 395.382 0.887 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCS(=O)(=O)NCC1CCC1 ZINC000823625027 946458291 /nfs/dbraw/zinc/45/82/91/946458291.db2.gz OHEUIUMNQOBXTE-UHFFFAOYSA-N -1 1 382.406 0.301 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCS(=O)(=O)NCC1CCC1 ZINC000823625027 946458297 /nfs/dbraw/zinc/45/82/97/946458297.db2.gz OHEUIUMNQOBXTE-UHFFFAOYSA-N -1 1 382.406 0.301 20 5 GCBDMM Cc1cc(C)nc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000826265730 947766541 /nfs/dbraw/zinc/76/65/41/947766541.db2.gz LCVHLBHVUCITED-UHFFFAOYSA-N -1 1 382.388 0.903 20 5 GCBDMM Cc1cc(C)nc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000826265730 947766549 /nfs/dbraw/zinc/76/65/49/947766549.db2.gz LCVHLBHVUCITED-UHFFFAOYSA-N -1 1 382.388 0.903 20 5 GCBDMM Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594469502 959541278 /nfs/dbraw/zinc/54/12/78/959541278.db2.gz HLHPDSNQMGKZOS-KOLCDFICSA-N -1 1 393.322 0.696 20 5 GCBDMM Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594469501 959541553 /nfs/dbraw/zinc/54/15/53/959541553.db2.gz HLHPDSNQMGKZOS-GXSJLCMTSA-N -1 1 393.322 0.696 20 5 GCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704144 969286671 /nfs/dbraw/zinc/28/66/71/969286671.db2.gz SWZIGIUWAAKMJZ-HTRCEHHLSA-N -1 1 393.278 0.065 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@](C)(O)C(=O)[O-])c2)CC1 ZINC001604227352 972723728 /nfs/dbraw/zinc/72/37/28/972723728.db2.gz BYNLZBDJPGZWTO-INIZCTEOSA-N -1 1 381.389 0.304 20 5 GCBDMM Cc1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001605449937 973534345 /nfs/dbraw/zinc/53/43/45/973534345.db2.gz PTOIJAIQCUNDCQ-XVKPBYJWSA-N -1 1 380.279 0.987 20 5 GCBDMM Cc1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001605449935 973534899 /nfs/dbraw/zinc/53/48/99/973534899.db2.gz PTOIJAIQCUNDCQ-OIBJUYFYSA-N -1 1 380.279 0.987 20 5 GCBDMM COc1c(F)cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001604675102 973866884 /nfs/dbraw/zinc/86/68/84/973866884.db2.gz MMSKKMWBTVOACM-UHFFFAOYSA-N -1 1 379.366 0.379 20 5 GCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001594522721 986014202 /nfs/dbraw/zinc/01/42/02/986014202.db2.gz VIFKJRIHYYRQKA-GFCCVEGCSA-N -1 1 388.384 0.797 20 5 GCBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001594522722 986015338 /nfs/dbraw/zinc/01/53/38/986015338.db2.gz VIFKJRIHYYRQKA-LBPRGKRZSA-N -1 1 388.384 0.797 20 5 GCBDMM C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001594658759 986932951 /nfs/dbraw/zinc/93/29/51/986932951.db2.gz QBKNVQHQXKUQKV-QPUJVOFHSA-N -1 1 383.382 0.795 20 5 GCBDMM C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001594658760 986932987 /nfs/dbraw/zinc/93/29/87/986932987.db2.gz QBKNVQHQXKUQKV-UFBFGSQYSA-N -1 1 383.382 0.795 20 5 GCBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001598616185 993884840 /nfs/dbraw/zinc/88/48/40/993884840.db2.gz JMBVEZSRJITRNS-UHFFFAOYSA-N -1 1 398.391 0.273 20 5 GCBDMM CN(CC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001598617348 993913225 /nfs/dbraw/zinc/91/32/25/993913225.db2.gz XXXXUSGNQAJRIK-UHFFFAOYSA-N -1 1 393.444 0.192 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(CO)COC1 ZINC000285949609 530125134 /nfs/dbraw/zinc/12/51/34/530125134.db2.gz JYNQTJKKNOXCKP-UHFFFAOYSA-N -1 1 399.194 0.784 20 5 GCBDMM O=C1NC2(CCCC2)C(=O)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000476581297 530126452 /nfs/dbraw/zinc/12/64/52/530126452.db2.gz NBDWXLBYFZEROP-UHFFFAOYSA-N -1 1 388.427 0.799 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533634671 530168786 /nfs/dbraw/zinc/16/87/86/530168786.db2.gz JTENPELXVBDPRZ-UHFFFAOYSA-N -1 1 388.427 0.563 20 5 GCBDMM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289776776 530289430 /nfs/dbraw/zinc/28/94/30/530289430.db2.gz HTKLQPITQKGZOX-YFKPBYRVSA-N -1 1 380.741 0.296 20 5 GCBDMM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263687249 530255143 /nfs/dbraw/zinc/25/51/43/530255143.db2.gz NZMVXBVHGFQJOP-SNVBAGLBSA-N -1 1 397.862 0.951 20 5 GCBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000263671703 530255322 /nfs/dbraw/zinc/25/53/22/530255322.db2.gz GSYXWSUCSLKGAC-QMMMGPOBSA-N -1 1 380.762 0.631 20 5 GCBDMM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263722710 530255451 /nfs/dbraw/zinc/25/54/51/530255451.db2.gz WRMHILQEYPVYGV-UHFFFAOYSA-N -1 1 385.851 0.856 20 5 GCBDMM COCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264053028 530257304 /nfs/dbraw/zinc/25/73/04/530257304.db2.gz IRPIBDSVKCLVFB-UHFFFAOYSA-N -1 1 396.219 0.398 20 5 GCBDMM Cc1nc(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c(Br)n1C ZINC000287694965 530257620 /nfs/dbraw/zinc/25/76/20/530257620.db2.gz FKJSRZRIDSVBJY-UHFFFAOYSA-N -1 1 393.223 0.574 20 5 GCBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000479953318 530264646 /nfs/dbraw/zinc/26/46/46/530264646.db2.gz XNTAMUYDLKIRAT-QMMMGPOBSA-N -1 1 397.203 0.824 20 5 GCBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000479953317 530264804 /nfs/dbraw/zinc/26/48/04/530264804.db2.gz XNTAMUYDLKIRAT-MRVPVSSYSA-N -1 1 397.203 0.824 20 5 GCBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCn1ccnn1 ZINC000611791230 530267211 /nfs/dbraw/zinc/26/72/11/530267211.db2.gz XWJQZMVEHNXGFV-UHFFFAOYSA-N -1 1 376.192 0.927 20 5 GCBDMM CN1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000263818935 530296179 /nfs/dbraw/zinc/29/61/79/530296179.db2.gz PRPGGIBYSZEING-MRVPVSSYSA-N -1 1 378.204 0.866 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C(C)C)N2CCOCC2)c([N+](=O)[O-])n1 ZINC000435795942 530309230 /nfs/dbraw/zinc/30/92/30/530309230.db2.gz GQASNENOGCNELK-GFCCVEGCSA-N -1 1 375.451 0.446 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCOCC2)c([N+](=O)[O-])n1 ZINC000516089253 530310354 /nfs/dbraw/zinc/31/03/54/530310354.db2.gz QCWPLTSPGQFPLD-UHFFFAOYSA-N -1 1 376.435 0.657 20 5 GCBDMM NC(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517406657 530355900 /nfs/dbraw/zinc/35/59/00/530355900.db2.gz DVKOABPPBRASFO-GFCCVEGCSA-N -1 1 390.849 0.866 20 5 GCBDMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000435898270 530334499 /nfs/dbraw/zinc/33/44/99/530334499.db2.gz OOMZROXYQWCXKM-UHFFFAOYSA-N -1 1 386.411 0.774 20 5 GCBDMM NC(=O)[C@H]1CCCN1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615102 530375321 /nfs/dbraw/zinc/37/53/21/530375321.db2.gz QMNFSZSUXQLZLS-GFCCVEGCSA-N -1 1 390.849 0.866 20 5 GCBDMM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290802633 530418052 /nfs/dbraw/zinc/41/80/52/530418052.db2.gz RMBABNHGLLRRNW-UHFFFAOYSA-N -1 1 394.768 0.608 20 5 GCBDMM CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000266158618 530448262 /nfs/dbraw/zinc/44/82/62/530448262.db2.gz GVPOUGAFWPSLRJ-UHFFFAOYSA-N -1 1 386.835 0.588 20 5 GCBDMM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000290853846 530456466 /nfs/dbraw/zinc/45/64/66/530456466.db2.gz WTUGEOSBPWVQHV-LHLIQPBNSA-N -1 1 381.769 0.699 20 5 GCBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC ZINC000292026478 530524254 /nfs/dbraw/zinc/52/42/54/530524254.db2.gz XQBIJLGFUQRPBQ-SECBINFHSA-N -1 1 397.203 0.824 20 5 GCBDMM NC(=O)COCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268528773 530687079 /nfs/dbraw/zinc/68/70/79/530687079.db2.gz HXEMBUBXBPKGRW-UHFFFAOYSA-N -1 1 382.192 0.138 20 5 GCBDMM CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590587719 530690622 /nfs/dbraw/zinc/69/06/22/530690622.db2.gz AJJMGJHDIKOTSR-UHFFFAOYSA-N -1 1 395.235 0.955 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC000295369357 530743699 /nfs/dbraw/zinc/74/36/99/530743699.db2.gz PQWDOBHZUPSOLM-VXNVDRBHSA-N -1 1 385.167 0.534 20 5 GCBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000270465400 530862420 /nfs/dbraw/zinc/86/24/20/530862420.db2.gz GMOPTSPNWSMWOQ-NSHDSACASA-N -1 1 386.304 0.958 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631898 530901720 /nfs/dbraw/zinc/90/17/20/530901720.db2.gz FYFBTQFNUJVGLP-RYUDHWBXSA-N -1 1 375.451 0.589 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCCC2)c([N+](=O)[O-])n1 ZINC000594853382 530887596 /nfs/dbraw/zinc/88/75/96/530887596.db2.gz QUZBNHGWIOQQCA-UHFFFAOYSA-N -1 1 394.475 0.837 20 5 GCBDMM Cc1nc(CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000600653080 530931284 /nfs/dbraw/zinc/93/12/84/530931284.db2.gz ZZKCQFDWHGFHHC-UHFFFAOYSA-N -1 1 389.415 0.703 20 5 GCBDMM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000467500862 530915465 /nfs/dbraw/zinc/91/54/65/530915465.db2.gz FWZWEHICHIYXEX-UHFFFAOYSA-N -1 1 395.191 0.221 20 5 GCBDMM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000474397122 530926165 /nfs/dbraw/zinc/92/61/65/530926165.db2.gz PBNGZBDZDVWIGW-SMDDNHRTSA-N -1 1 376.435 0.656 20 5 GCBDMM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269837172 530947618 /nfs/dbraw/zinc/94/76/18/530947618.db2.gz BCUSKLIVDKMGOT-SECBINFHSA-N -1 1 397.862 0.951 20 5 GCBDMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000487397399 531040396 /nfs/dbraw/zinc/04/03/96/531040396.db2.gz OBVVBKDDGHYTGM-SFYZADRCSA-N -1 1 379.416 0.391 20 5 GCBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738218883 599138092 /nfs/dbraw/zinc/13/80/92/599138092.db2.gz IANVQWXRWYLDRZ-UHFFFAOYSA-N -1 1 395.335 0.916 20 5 GCBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738218883 599138095 /nfs/dbraw/zinc/13/80/95/599138095.db2.gz IANVQWXRWYLDRZ-UHFFFAOYSA-N -1 1 395.335 0.916 20 5 GCBDMM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823647635 599363620 /nfs/dbraw/zinc/36/36/20/599363620.db2.gz NQMROLHCTQNVQL-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823647635 599363623 /nfs/dbraw/zinc/36/36/23/599363623.db2.gz NQMROLHCTQNVQL-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM Cn1ccnc1[C@@H](O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822699376 607388019 /nfs/dbraw/zinc/38/80/19/607388019.db2.gz YPGKVPRQHOMXFW-ZDUSSCGKSA-N -1 1 385.388 0.853 20 5 GCBDMM Cn1ccnc1[C@@H](O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822699376 607388020 /nfs/dbraw/zinc/38/80/20/607388020.db2.gz YPGKVPRQHOMXFW-ZDUSSCGKSA-N -1 1 385.388 0.853 20 5 GCBDMM CN1CCN(C[C@@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)CC1 ZINC000737526384 600119543 /nfs/dbraw/zinc/11/95/43/600119543.db2.gz MXOBFGLPEJBQQH-MRXNPFEDSA-N -1 1 392.412 0.381 20 5 GCBDMM O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1)N1CCOCC1 ZINC000826399231 607450287 /nfs/dbraw/zinc/45/02/87/607450287.db2.gz QCXNBHJDZWNMSO-GFCCVEGCSA-N -1 1 387.400 0.850 20 5 GCBDMM O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1)N1CCOCC1 ZINC000826399231 607450288 /nfs/dbraw/zinc/45/02/88/607450288.db2.gz QCXNBHJDZWNMSO-GFCCVEGCSA-N -1 1 387.400 0.850 20 5 GCBDMM O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1)N1CCOCC1 ZINC000826399232 607450509 /nfs/dbraw/zinc/45/05/09/607450509.db2.gz QCXNBHJDZWNMSO-LBPRGKRZSA-N -1 1 387.400 0.850 20 5 GCBDMM O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1)N1CCOCC1 ZINC000826399232 607450511 /nfs/dbraw/zinc/45/05/11/607450511.db2.gz QCXNBHJDZWNMSO-LBPRGKRZSA-N -1 1 387.400 0.850 20 5 GCBDMM NC(=O)NC(=O)C1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822874043 607467161 /nfs/dbraw/zinc/46/71/61/607467161.db2.gz RNLQLLFBSGLFPM-UHFFFAOYSA-N -1 1 375.349 0.336 20 5 GCBDMM NC(=O)NC(=O)C1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822874043 607467162 /nfs/dbraw/zinc/46/71/62/607467162.db2.gz RNLQLLFBSGLFPM-UHFFFAOYSA-N -1 1 375.349 0.336 20 5 GCBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000600870494 601105406 /nfs/dbraw/zinc/10/54/06/601105406.db2.gz URZPQKDEQKDQFZ-YPMHNXCESA-N -1 1 396.448 0.835 20 5 GCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000827369476 601106485 /nfs/dbraw/zinc/10/64/85/601106485.db2.gz ZDSICISIGJOFTA-LBPRGKRZSA-N -1 1 375.385 0.952 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826500247 607552555 /nfs/dbraw/zinc/55/25/55/607552555.db2.gz PQWZXHUILAJYSK-WDEREUQCSA-N -1 1 394.413 0.822 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNS(=O)(=O)c1cccs1 ZINC000826497355 607562559 /nfs/dbraw/zinc/56/25/59/607562559.db2.gz DWPCBWROMWUBBD-UHFFFAOYSA-N -1 1 396.414 0.622 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNS(=O)(=O)c1cccs1 ZINC000826497355 607562560 /nfs/dbraw/zinc/56/25/60/607562560.db2.gz DWPCBWROMWUBBD-UHFFFAOYSA-N -1 1 396.414 0.622 20 5 GCBDMM CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825888617 607580070 /nfs/dbraw/zinc/58/00/70/607580070.db2.gz SWLVQKQDAPVTHQ-UHFFFAOYSA-N -1 1 395.401 0.018 20 5 GCBDMM C[C@@H](Cn1cccn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824464199 607586372 /nfs/dbraw/zinc/58/63/72/607586372.db2.gz GAACDWMNZOFYQC-VIFPVBQESA-N -1 1 378.374 0.338 20 5 GCBDMM C[C@H](Cn1cccn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824464197 607586391 /nfs/dbraw/zinc/58/63/91/607586391.db2.gz GAACDWMNZOFYQC-SECBINFHSA-N -1 1 378.374 0.338 20 5 GCBDMM Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826288348 607590386 /nfs/dbraw/zinc/59/03/86/607590386.db2.gz CARPARXGCPGXMD-UHFFFAOYSA-N -1 1 375.370 0.957 20 5 GCBDMM CC[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825044642 607601893 /nfs/dbraw/zinc/60/18/93/607601893.db2.gz QXTVSAKCQDATMW-ZDUSSCGKSA-N -1 1 384.374 0.395 20 5 GCBDMM O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)NC1CCCC1 ZINC000826413147 607602489 /nfs/dbraw/zinc/60/24/89/607602489.db2.gz SZNFOSOAOWJHQY-UHFFFAOYSA-N -1 1 395.401 0.112 20 5 GCBDMM Cn1cc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826360784 607605267 /nfs/dbraw/zinc/60/52/67/607605267.db2.gz YAVNZANWVIHZFG-UHFFFAOYSA-N -1 1 392.401 0.420 20 5 GCBDMM Cc1cccnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826308263 607609445 /nfs/dbraw/zinc/60/94/45/607609445.db2.gz QMCUQEKBSIPDFH-UHFFFAOYSA-N -1 1 375.370 0.957 20 5 GCBDMM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826390322 607621935 /nfs/dbraw/zinc/62/19/35/607621935.db2.gz WRYDZXODKHJTCS-RKDXNWHRSA-N -1 1 395.401 0.097 20 5 GCBDMM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826390321 607622065 /nfs/dbraw/zinc/62/20/65/607622065.db2.gz WRYDZXODKHJTCS-IUCAKERBSA-N -1 1 395.401 0.097 20 5 GCBDMM CCCCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825276470 607623386 /nfs/dbraw/zinc/62/33/86/607623386.db2.gz YCNTWLAORCINMX-UHFFFAOYSA-N -1 1 384.418 0.948 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000826500333 607626168 /nfs/dbraw/zinc/62/61/68/607626168.db2.gz UKGASPKDOGQSOH-VIFPVBQESA-N -1 1 380.342 0.380 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826499854 607627329 /nfs/dbraw/zinc/62/73/29/607627329.db2.gz AULGXWFPPGEFOK-GFCCVEGCSA-N -1 1 396.429 0.994 20 5 GCBDMM CCCN(CC(C)(C)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825308295 607632040 /nfs/dbraw/zinc/63/20/40/607632040.db2.gz ZZKBLJWHMVUUBY-UHFFFAOYSA-N -1 1 384.418 0.947 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCCCO)c1-c1nn[n-]n1 ZINC000826500064 607633296 /nfs/dbraw/zinc/63/32/96/607633296.db2.gz JRFXNWBVYJKQHC-UHFFFAOYSA-N -1 1 388.431 0.169 20 5 GCBDMM CC[C@@H](C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825051586 607635840 /nfs/dbraw/zinc/63/58/40/607635840.db2.gz RUTOCMRYIBUMSP-OTYXRUKQSA-N -1 1 384.418 0.850 20 5 GCBDMM CCCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825339173 607660704 /nfs/dbraw/zinc/66/07/04/607660704.db2.gz QCJZIQFGJYKGIB-UHFFFAOYSA-N -1 1 384.374 0.397 20 5 GCBDMM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826390035 607662924 /nfs/dbraw/zinc/66/29/24/607662924.db2.gz OJGZZIIWDVKAGP-RKDXNWHRSA-N -1 1 395.401 0.097 20 5 GCBDMM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826390033 607663031 /nfs/dbraw/zinc/66/30/31/607663031.db2.gz OJGZZIIWDVKAGP-DTWKUNHWSA-N -1 1 395.401 0.097 20 5 GCBDMM CCOC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486005 607673620 /nfs/dbraw/zinc/67/36/20/607673620.db2.gz LOIFWJINVXOTGC-MRVPVSSYSA-N -1 1 384.374 0.252 20 5 GCBDMM C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[S@@](C)=O ZINC000824400121 607674775 /nfs/dbraw/zinc/67/47/75/607674775.db2.gz AILVJWNIXCMHCV-KFKUIPHHSA-N -1 1 388.431 0.210 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824640538 607673376 /nfs/dbraw/zinc/67/33/76/607673376.db2.gz KLHUXOMQDAMDCY-MRVPVSSYSA-N -1 1 398.401 0.783 20 5 GCBDMM COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1 ZINC000826123842 607678854 /nfs/dbraw/zinc/67/88/54/607678854.db2.gz MNMKWDMEOPZYJO-UHFFFAOYSA-N -1 1 382.358 0.149 20 5 GCBDMM C[C@H](CN(C)c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000833516856 605037009 /nfs/dbraw/zinc/03/70/09/605037009.db2.gz ZUIARFQOVFDFNH-LLVKDONJSA-N -1 1 388.446 0.592 20 5 GCBDMM CC(C)C[C@H](NC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000281380324 605275067 /nfs/dbraw/zinc/27/50/67/605275067.db2.gz SKULFMYOYNNNPZ-LBPRGKRZSA-N -1 1 377.357 0.816 20 5 GCBDMM CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1N(C)C ZINC000833738997 605402661 /nfs/dbraw/zinc/40/26/61/605402661.db2.gz ZAGSMYHNLSSHDQ-RYUDHWBXSA-N -1 1 389.455 0.959 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000822609597 606170411 /nfs/dbraw/zinc/17/04/11/606170411.db2.gz RLRZXPYCLDGEPT-UHFFFAOYSA-N -1 1 398.387 0.863 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000822609597 606170413 /nfs/dbraw/zinc/17/04/13/606170413.db2.gz RLRZXPYCLDGEPT-UHFFFAOYSA-N -1 1 398.387 0.863 20 5 GCBDMM O=C([C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000822916865 606645233 /nfs/dbraw/zinc/64/52/33/606645233.db2.gz GRKWGEKROZWTAG-LBPRGKRZSA-N -1 1 387.400 0.850 20 5 GCBDMM CNS(=O)(=O)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821637339 606698026 /nfs/dbraw/zinc/69/80/26/606698026.db2.gz BQBQKUHWBSUIFM-UHFFFAOYSA-N -1 1 390.385 0.690 20 5 GCBDMM CNS(=O)(=O)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821637339 606698028 /nfs/dbraw/zinc/69/80/28/606698028.db2.gz BQBQKUHWBSUIFM-UHFFFAOYSA-N -1 1 390.385 0.690 20 5 GCBDMM CNC(=O)COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821634272 606699027 /nfs/dbraw/zinc/69/90/27/606699027.db2.gz ZXRSCWLPUABREJ-UHFFFAOYSA-N -1 1 384.356 0.907 20 5 GCBDMM CNC(=O)COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821634272 606699029 /nfs/dbraw/zinc/69/90/29/606699029.db2.gz ZXRSCWLPUABREJ-UHFFFAOYSA-N -1 1 384.356 0.907 20 5 GCBDMM Cc1ccc(N2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)nn1 ZINC000822242573 606708490 /nfs/dbraw/zinc/70/84/90/606708490.db2.gz QAVYXBJIFKMWRY-UHFFFAOYSA-N -1 1 382.388 0.985 20 5 GCBDMM Cc1ccc(N2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)nn1 ZINC000822242573 606708492 /nfs/dbraw/zinc/70/84/92/606708492.db2.gz QAVYXBJIFKMWRY-UHFFFAOYSA-N -1 1 382.388 0.985 20 5 GCBDMM Cc1nc(CN2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)no1 ZINC000822440174 606708918 /nfs/dbraw/zinc/70/89/18/606708918.db2.gz JIURFCDOZAPEAS-UHFFFAOYSA-N -1 1 386.376 0.574 20 5 GCBDMM Cc1nc(CN2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)no1 ZINC000822440174 606708920 /nfs/dbraw/zinc/70/89/20/606708920.db2.gz JIURFCDOZAPEAS-UHFFFAOYSA-N -1 1 386.376 0.574 20 5 GCBDMM O=c1ccccn1CCN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823664620 606709547 /nfs/dbraw/zinc/70/95/47/606709547.db2.gz BGXNRSHJYZUJQC-UHFFFAOYSA-N -1 1 397.399 0.154 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000823621210 606712765 /nfs/dbraw/zinc/71/27/65/606712765.db2.gz ZGUWUEYCPFAHAP-UHFFFAOYSA-N -1 1 382.266 0.800 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000823621210 606712766 /nfs/dbraw/zinc/71/27/66/606712766.db2.gz ZGUWUEYCPFAHAP-UHFFFAOYSA-N -1 1 382.266 0.800 20 5 GCBDMM COCCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821690018 606731420 /nfs/dbraw/zinc/73/14/20/606731420.db2.gz WCIBLRAZWRLZGV-UHFFFAOYSA-N -1 1 386.390 0.058 20 5 GCBDMM CCOC(=O)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821330806 606732595 /nfs/dbraw/zinc/73/25/95/606732595.db2.gz SQKHKHGWYGWOON-UHFFFAOYSA-N -1 1 384.374 0.349 20 5 GCBDMM CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821593621 606733132 /nfs/dbraw/zinc/73/31/32/606733132.db2.gz BQGBQFRTKGBZAK-UHFFFAOYSA-N -1 1 398.401 0.737 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cncnc3C2)c1-c1nn[n-]n1 ZINC000823648377 606735509 /nfs/dbraw/zinc/73/55/09/606735509.db2.gz VWBOVUJDJVDUPM-UHFFFAOYSA-N -1 1 388.369 0.312 20 5 GCBDMM CN(CCOCC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821603675 606736829 /nfs/dbraw/zinc/73/68/29/606736829.db2.gz JLEMMUNORSRXLW-UHFFFAOYSA-N -1 1 382.402 0.822 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000820789085 606825264 /nfs/dbraw/zinc/82/52/64/606825264.db2.gz VJLYPXWNSBJMFZ-JTQLQIEISA-N -1 1 398.387 0.254 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000820789085 606825265 /nfs/dbraw/zinc/82/52/65/606825265.db2.gz VJLYPXWNSBJMFZ-JTQLQIEISA-N -1 1 398.387 0.254 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000820788872 606825756 /nfs/dbraw/zinc/82/57/56/606825756.db2.gz QCIGUJLRTWIMCO-SNVBAGLBSA-N -1 1 398.387 0.254 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000820788872 606825758 /nfs/dbraw/zinc/82/57/58/606825758.db2.gz QCIGUJLRTWIMCO-SNVBAGLBSA-N -1 1 398.387 0.254 20 5 GCBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000823647174 607035784 /nfs/dbraw/zinc/03/57/84/607035784.db2.gz HPNWYGMXQCVSLX-UHFFFAOYSA-N -1 1 380.321 0.614 20 5 GCBDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn(C)c1=O ZINC000822209635 607123043 /nfs/dbraw/zinc/12/30/43/607123043.db2.gz QFQNRVANNITNJT-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)c2ccccc2)c1-c1nn[n-]n1 ZINC000823648272 607154811 /nfs/dbraw/zinc/15/48/11/607154811.db2.gz TWBLMPYVBFFHSH-UHFFFAOYSA-N -1 1 390.381 0.963 20 5 GCBDMM O=C(C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000822917692 607163319 /nfs/dbraw/zinc/16/33/19/607163319.db2.gz VHOCFMKSUFTUJF-UHFFFAOYSA-N -1 1 388.388 0.245 20 5 GCBDMM O=C(C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000822917692 607163320 /nfs/dbraw/zinc/16/33/20/607163320.db2.gz VHOCFMKSUFTUJF-UHFFFAOYSA-N -1 1 388.388 0.245 20 5 GCBDMM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908400 607853743 /nfs/dbraw/zinc/85/37/43/607853743.db2.gz HHUJUTZSOVZEOA-ONGXEEELSA-N -1 1 382.402 0.556 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)c1-c1nn[n-]n1 ZINC000826500478 607971451 /nfs/dbraw/zinc/97/14/51/607971451.db2.gz ZQEOQLWXUALPGJ-VHSXEESVSA-N -1 1 382.402 0.604 20 5 GCBDMM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824152938 608011211 /nfs/dbraw/zinc/01/12/11/608011211.db2.gz UYHUANSOGYQUBV-UHFFFAOYSA-N -1 1 384.374 0.697 20 5 GCBDMM CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824266630 608110924 /nfs/dbraw/zinc/11/09/24/608110924.db2.gz OLCOMSQTPCQFNL-VIFPVBQESA-N -1 1 398.401 0.641 20 5 GCBDMM C[C@@H]1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824886281 608155415 /nfs/dbraw/zinc/15/54/15/608155415.db2.gz WSBLKLMYGCINBB-NXEZZACHSA-N -1 1 382.402 0.868 20 5 GCBDMM O=c1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)[nH]c2c(-c3nn[n-]n3)cnn21 ZINC000826501624 608406062 /nfs/dbraw/zinc/40/60/62/608406062.db2.gz ZLRFEEQRGNZWQN-UHFFFAOYSA-N -1 1 389.719 0.387 20 5 GCBDMM CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824172654 608439954 /nfs/dbraw/zinc/43/99/54/608439954.db2.gz NBIQWGIJPHEQEW-NSHDSACASA-N -1 1 382.402 0.699 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccn2)c1-c1nn[n-]n1 ZINC000826499869 608567874 /nfs/dbraw/zinc/56/78/74/608567874.db2.gz BNUNCDUYFADTPG-LLVKDONJSA-N -1 1 391.369 0.182 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000826356829 609393771 /nfs/dbraw/zinc/39/37/71/609393771.db2.gz HSSDCYSHQJAOBO-LBPRGKRZSA-N -1 1 383.328 0.640 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000826356829 609393774 /nfs/dbraw/zinc/39/37/74/609393774.db2.gz HSSDCYSHQJAOBO-LBPRGKRZSA-N -1 1 383.328 0.640 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(O)CCS(=O)(=O)CC1 ZINC000751449318 640384785 /nfs/dbraw/zinc/38/47/85/640384785.db2.gz WTZUPDVADKKBOO-UHFFFAOYSA-N -1 1 398.846 0.466 20 5 GCBDMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000772638204 640846295 /nfs/dbraw/zinc/84/62/95/640846295.db2.gz GSWMYEYJHQOWPU-UHFFFAOYSA-N -1 1 375.407 0.710 20 5 GCBDMM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000775741184 641084420 /nfs/dbraw/zinc/08/44/20/641084420.db2.gz NACAIAZEULLRLG-MRVPVSSYSA-N -1 1 396.219 0.526 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCn1ncnn1 ZINC000795879533 641528049 /nfs/dbraw/zinc/52/80/49/641528049.db2.gz HGCGYDOVYAUKAZ-UHFFFAOYSA-N -1 1 395.170 0.461 20 5 GCBDMM CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814982241 641814707 /nfs/dbraw/zinc/81/47/07/641814707.db2.gz SAVYCARAANGUNA-UHFFFAOYSA-N -1 1 375.787 0.215 20 5 GCBDMM COCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829818206 642122914 /nfs/dbraw/zinc/12/29/14/642122914.db2.gz VTDIGSNXTIWEJG-UHFFFAOYSA-N -1 1 386.213 0.943 20 5 GCBDMM COC(=O)NCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000832610957 642193480 /nfs/dbraw/zinc/19/34/80/642193480.db2.gz HEPAYQCAMZTFKY-UHFFFAOYSA-N -1 1 382.192 0.992 20 5 GCBDMM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000845975691 642462621 /nfs/dbraw/zinc/46/26/21/642462621.db2.gz FUOMDBQDVNYWIB-SECBINFHSA-N -1 1 383.835 0.560 20 5 GCBDMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000859344524 643002661 /nfs/dbraw/zinc/00/26/61/643002661.db2.gz XCSUGZLEDFQWSL-MRVPVSSYSA-N -1 1 397.203 0.560 20 5 GCBDMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000785310977 1192218605 /nfs/dbraw/zinc/21/86/05/1192218605.db2.gz YRNBCOOOLYZUOV-BDAKNGLRSA-N -1 1 391.377 0.469 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000785363692 1192368756 /nfs/dbraw/zinc/36/87/56/1192368756.db2.gz LRVILXHROMXURH-XPTSAGLGSA-N -1 1 398.397 0.940 20 5 GCBDMM CCOc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c([N+](=O)[O-])cc1OC ZINC000500583100 1192657358 /nfs/dbraw/zinc/65/73/58/1192657358.db2.gz YNARAQHSPADKAN-UHFFFAOYSA-N -1 1 385.358 0.776 20 5 GCBDMM CCOc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c([N+](=O)[O-])cc1OC ZINC000500583100 1192657361 /nfs/dbraw/zinc/65/73/61/1192657361.db2.gz YNARAQHSPADKAN-UHFFFAOYSA-N -1 1 385.358 0.776 20 5 GCBDMM C[C@@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nn[n-]n1 ZINC000274777433 1184297071 /nfs/dbraw/zinc/29/70/71/1184297071.db2.gz NFSTUWDFYMYUEG-NSHDSACASA-N -1 1 375.389 0.820 20 5 GCBDMM NC(=O)c1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610263804 1184639796 /nfs/dbraw/zinc/63/97/96/1184639796.db2.gz CHWJUWLMBZNSTP-NSHDSACASA-N -1 1 391.409 0.646 20 5 GCBDMM Cn1cc(C[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cn1 ZINC000547887782 1184733961 /nfs/dbraw/zinc/73/39/61/1184733961.db2.gz YLPIQTWQPLRLHR-JTQLQIEISA-N -1 1 386.361 0.689 20 5 GCBDMM NC(=O)[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000476982204 1185136828 /nfs/dbraw/zinc/13/68/28/1185136828.db2.gz RMYMLXOMLPRKBL-HNNXBMFYSA-N -1 1 393.377 0.871 20 5 GCBDMM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262172010 1185393765 /nfs/dbraw/zinc/39/37/65/1185393765.db2.gz LOJAZPJOGOAHIO-JTQLQIEISA-N -1 1 389.368 0.866 20 5 GCBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000610269928 1185634294 /nfs/dbraw/zinc/63/42/94/1185634294.db2.gz RVQGRDKMJRMCPR-MWLCHTKSSA-N -1 1 380.386 0.196 20 5 GCBDMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000276385404 1185784888 /nfs/dbraw/zinc/78/48/88/1185784888.db2.gz TUSNVRDWOIGRLJ-UHFFFAOYSA-N -1 1 381.366 0.999 20 5 GCBDMM CCNS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000479377101 1186569227 /nfs/dbraw/zinc/56/92/27/1186569227.db2.gz MTOUMQVNHXUPLA-UHFFFAOYSA-N -1 1 380.382 0.924 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000480440375 1187071806 /nfs/dbraw/zinc/07/18/06/1187071806.db2.gz OXPBGLGWZHQAKD-UHFFFAOYSA-N -1 1 377.386 0.870 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1nnnn1-c1ccccc1 ZINC000548862377 1187254326 /nfs/dbraw/zinc/25/43/26/1187254326.db2.gz TZOOHFSYVBGPHS-UHFFFAOYSA-N -1 1 375.370 0.487 20 5 GCBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000612676930 1187555925 /nfs/dbraw/zinc/55/59/25/1187555925.db2.gz RCYUJWABQDAPBX-SMDDNHRTSA-N -1 1 393.425 0.942 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000549910209 1193891319 /nfs/dbraw/zinc/89/13/19/1193891319.db2.gz QMMBDBFHTLTFDE-LLVKDONJSA-N -1 1 379.398 0.895 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000366993719 1194347226 /nfs/dbraw/zinc/34/72/26/1194347226.db2.gz FBYVOJOGVYKMID-SMDDNHRTSA-N -1 1 385.398 0.525 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccnc2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000435800476 1194965849 /nfs/dbraw/zinc/96/58/49/1194965849.db2.gz QHHASBDFSIHVQX-UHFFFAOYSA-N -1 1 396.429 0.521 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cn3cncn3)cc2)c([N+](=O)[O-])n1 ZINC000517439629 1195182500 /nfs/dbraw/zinc/18/25/00/1195182500.db2.gz ZYUMZHHGWRKFJO-UHFFFAOYSA-N -1 1 391.413 0.930 20 5 GCBDMM CCOC(=O)CNC(=O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444977873 1196534153 /nfs/dbraw/zinc/53/41/53/1196534153.db2.gz HAQGACPGCNTHOT-UHFFFAOYSA-N -1 1 380.357 0.227 20 5 GCBDMM CCNS(=O)(=O)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444985399 1196534709 /nfs/dbraw/zinc/53/47/09/1196534709.db2.gz LOQWPLJETCHDOL-UHFFFAOYSA-N -1 1 380.382 0.924 20 5 GCBDMM NC(=O)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000524648739 1196613401 /nfs/dbraw/zinc/61/34/01/1196613401.db2.gz ITRBPQVXQFJVSG-LLVKDONJSA-N -1 1 382.373 0.751 20 5 GCBDMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000026670607 1197355050 /nfs/dbraw/zinc/35/50/50/1197355050.db2.gz UQNRFKRSKYLXKU-UHFFFAOYSA-N -1 1 380.382 0.300 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)OC)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000532853521 1197415574 /nfs/dbraw/zinc/41/55/74/1197415574.db2.gz FOIYTTZUXMAWFS-LLVKDONJSA-N -1 1 390.418 0.305 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000532854340 1197416326 /nfs/dbraw/zinc/41/63/26/1197416326.db2.gz SFZBPHAQVFSRTM-UHFFFAOYSA-N -1 1 377.386 0.870 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)c([N+](=O)[O-])n1 ZINC000533638906 1197463327 /nfs/dbraw/zinc/46/33/27/1197463327.db2.gz VSGXIGIERHSMAU-JTQLQIEISA-N -1 1 399.433 0.866 20 5 GCBDMM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000273591564 1199036316 /nfs/dbraw/zinc/03/63/16/1199036316.db2.gz JCWYCMRCYJQCHX-CYBMUJFWSA-N -1 1 379.398 0.553 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000611107338 1201216576 /nfs/dbraw/zinc/21/65/76/1201216576.db2.gz KQEWAVOARZZLCU-CHWSQXEVSA-N -1 1 387.462 0.733 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCNC(=O)c2occc2C)c([N+](=O)[O-])n1 ZINC000611106048 1201216632 /nfs/dbraw/zinc/21/66/32/1201216632.db2.gz RDHMJGHNYJJRHW-UHFFFAOYSA-N -1 1 385.402 0.811 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000611107339 1201216709 /nfs/dbraw/zinc/21/67/09/1201216709.db2.gz KQEWAVOARZZLCU-OLZOCXBDSA-N -1 1 387.462 0.733 20 5 GCBDMM CCOC(=O)N1CCN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000769048710 1202042749 /nfs/dbraw/zinc/04/27/49/1202042749.db2.gz MBPYVBZNEGWRAR-UHFFFAOYSA-N -1 1 381.341 0.758 20 5 GCBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)c1C ZINC000769831066 1202075059 /nfs/dbraw/zinc/07/50/59/1202075059.db2.gz CBUZVMXMIDXCHQ-UHFFFAOYSA-N -1 1 393.385 0.899 20 5 GCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823005605 946265563 /nfs/dbraw/zinc/26/55/63/946265563.db2.gz YOIFNEUDGBHAOM-UHFFFAOYSA-N -1 1 383.324 0.849 20 5 GCBDMM CC[C@H](C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)[O-] ZINC000825679839 947290263 /nfs/dbraw/zinc/29/02/63/947290263.db2.gz JNYIBLGJECLWAH-CPCISQLKSA-N -1 1 384.374 0.553 20 5 GCBDMM CO[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826146902 947469105 /nfs/dbraw/zinc/46/91/05/947469105.db2.gz HSSMAEWTITYFQC-SNVBAGLBSA-N -1 1 382.402 0.965 20 5 GCBDMM Cc1cn2c(n1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)CC2 ZINC000826316891 947922623 /nfs/dbraw/zinc/92/26/23/947922623.db2.gz CVJHUPLNPIDMOW-UHFFFAOYSA-N -1 1 390.385 0.484 20 5 GCBDMM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1=O ZINC001595097143 951827693 /nfs/dbraw/zinc/82/76/93/951827693.db2.gz VPTRANKMUXZVLF-JTQLQIEISA-N -1 1 389.361 0.478 20 5 GCBDMM C[C@](CO)(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC001575178898 952409380 /nfs/dbraw/zinc/40/93/80/952409380.db2.gz QKWGMOFLLWYMMA-QGZVFWFLSA-N -1 1 383.368 0.736 20 5 GCBDMM C[C@](CO)(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC001575178898 952409381 /nfs/dbraw/zinc/40/93/81/952409381.db2.gz QKWGMOFLLWYMMA-QGZVFWFLSA-N -1 1 383.368 0.736 20 5 GCBDMM CC(C)c1n[nH]c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC001588963820 962640771 /nfs/dbraw/zinc/64/07/71/962640771.db2.gz WCHJLAYSCHCPCD-SNVBAGLBSA-N -1 1 393.400 0.979 20 5 GCBDMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000852958356 969303003 /nfs/dbraw/zinc/30/30/03/969303003.db2.gz JYGLYRMSGJGKJQ-MUWHJKNJSA-N -1 1 378.263 0.659 20 5 GCBDMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001605970189 972975476 /nfs/dbraw/zinc/97/54/76/972975476.db2.gz MKMWRGHEFYTBKP-SCZZXKLOSA-N -1 1 390.274 0.726 20 5 GCBDMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001605970188 972975596 /nfs/dbraw/zinc/97/55/96/972975596.db2.gz MKMWRGHEFYTBKP-PSASIEDQSA-N -1 1 390.274 0.726 20 5 GCBDMM Cc1noc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001605449934 973534476 /nfs/dbraw/zinc/53/44/76/973534476.db2.gz PTOIJAIQCUNDCQ-GMSGAONNSA-N -1 1 380.279 0.987 20 5 GCBDMM O=C([O-])c1cn([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000516933070 974312229 /nfs/dbraw/zinc/31/22/29/974312229.db2.gz OWOCKRXDOYLHDY-KGLIPLIRSA-N -1 1 391.384 0.961 20 5 GCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001594522430 986006052 /nfs/dbraw/zinc/00/60/52/986006052.db2.gz PMYZQIBYXRRDPP-CYBMUJFWSA-N -1 1 376.413 0.965 20 5 GCBDMM C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001594658758 986933117 /nfs/dbraw/zinc/93/31/17/986933117.db2.gz QBKNVQHQXKUQKV-PRHODGIISA-N -1 1 383.382 0.795 20 5 GCBDMM CNc1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598678041 994879848 /nfs/dbraw/zinc/87/98/48/994879848.db2.gz MVYLGAVMJVKAGS-UHFFFAOYSA-N -1 1 379.417 0.411 20 5 GCBDMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599461623 530164332 /nfs/dbraw/zinc/16/43/32/530164332.db2.gz FVZMQJRMFGDYKS-MRVPVSSYSA-N -1 1 397.203 0.560 20 5 GCBDMM COC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285283752 530220893 /nfs/dbraw/zinc/22/08/93/530220893.db2.gz SLFAGSYZWHJKDB-LURJTMIESA-N -1 1 387.183 0.782 20 5 GCBDMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000263697751 530255041 /nfs/dbraw/zinc/25/50/41/530255041.db2.gz MPBFCLZMSQPFOM-UHFFFAOYSA-N -1 1 377.806 0.775 20 5 GCBDMM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451740423 530256187 /nfs/dbraw/zinc/25/61/87/530256187.db2.gz LVVWWPVEPINSJP-QMMMGPOBSA-N -1 1 385.851 0.854 20 5 GCBDMM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000146692059 530298477 /nfs/dbraw/zinc/29/84/77/530298477.db2.gz KBDQNBYLCKLNSQ-UHFFFAOYSA-N -1 1 397.862 0.951 20 5 GCBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000146666568 530304428 /nfs/dbraw/zinc/30/44/28/530304428.db2.gz GZXWFOWIPIVXIV-MRVPVSSYSA-N -1 1 380.762 0.631 20 5 GCBDMM CNC(=O)CN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000146744657 530304932 /nfs/dbraw/zinc/30/49/32/530304932.db2.gz AOEJPHIJAVFKPT-UHFFFAOYSA-N -1 1 390.849 0.737 20 5 GCBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OC ZINC000291821897 530501776 /nfs/dbraw/zinc/50/17/76/530501776.db2.gz BGTUFKKZIFRAQK-SECBINFHSA-N -1 1 397.203 0.824 20 5 GCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)CCO1 ZINC000507950819 530515767 /nfs/dbraw/zinc/51/57/67/530515767.db2.gz RTCMLVCGNVGKJN-MRVPVSSYSA-N -1 1 384.819 0.340 20 5 GCBDMM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000016091589 530766124 /nfs/dbraw/zinc/76/61/24/530766124.db2.gz PSOCYNHJWQHZOL-UHFFFAOYSA-N -1 1 377.425 0.782 20 5 GCBDMM Cc1nn(C)c(NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1[N+](=O)[O-] ZINC000463246083 530904770 /nfs/dbraw/zinc/90/47/70/530904770.db2.gz BMOKLWWNAAPINR-UHFFFAOYSA-N -1 1 376.420 0.498 20 5 GCBDMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594826017 530885361 /nfs/dbraw/zinc/88/53/61/530885361.db2.gz FUECYVIYOMJXTG-WPRPVWTQSA-N -1 1 384.819 0.339 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCS(=O)(=O)c1ccc(F)cc1 ZINC000531700624 530896996 /nfs/dbraw/zinc/89/69/96/530896996.db2.gz UTLASIVDGWSUSA-UHFFFAOYSA-N -1 1 389.386 0.881 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000501957906 530932595 /nfs/dbraw/zinc/93/25/95/530932595.db2.gz MLLJOGZWHWEWKM-UHFFFAOYSA-N -1 1 386.411 0.774 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000467056713 530914491 /nfs/dbraw/zinc/91/44/91/530914491.db2.gz GIBPQZLKMWQJPK-ZDUSSCGKSA-N -1 1 378.407 0.182 20 5 GCBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(CO)COC1 ZINC000269713044 530921257 /nfs/dbraw/zinc/92/12/57/530921257.db2.gz RBIMXBFOPJFWMG-UHFFFAOYSA-N -1 1 381.204 0.645 20 5 GCBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCn1ncnn1 ZINC000472734183 530924078 /nfs/dbraw/zinc/92/40/78/530924078.db2.gz OLNLKDCWTXQQBO-UHFFFAOYSA-N -1 1 377.180 0.322 20 5 GCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1COC2(CCOCC2)O1 ZINC000272044907 530946481 /nfs/dbraw/zinc/94/64/81/530946481.db2.gz LWNKVNCLAKFSJE-SNVBAGLBSA-N -1 1 376.362 0.934 20 5 GCBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000172617224 530976628 /nfs/dbraw/zinc/97/66/28/530976628.db2.gz VYCLSMBTBOQCHJ-MRVPVSSYSA-N -1 1 378.204 0.866 20 5 GCBDMM O=C1CN(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000272480273 530995993 /nfs/dbraw/zinc/99/59/93/530995993.db2.gz UUZRFMOIYQFNIK-UHFFFAOYSA-N -1 1 376.822 0.348 20 5 GCBDMM C[C@H](NC(=O)c1ccc(NC[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655910 600240706 /nfs/dbraw/zinc/24/07/06/600240706.db2.gz GQXJCSQTOQKUOT-WCQYABFASA-N -1 1 379.417 0.455 20 5 GCBDMM C[C@H](NC(=O)c1ccc(NC[C@H](C)N2CCN(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655490 600433086 /nfs/dbraw/zinc/43/30/86/600433086.db2.gz DGCWSDZBFYKOMG-STQMWFEESA-N -1 1 393.444 0.846 20 5 GCBDMM C[C@H](O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000827804271 600812780 /nfs/dbraw/zinc/81/27/80/600812780.db2.gz UXPCPDGDPZUODY-AVGNSLFASA-N -1 1 394.428 0.689 20 5 GCBDMM CC[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000829160289 600812896 /nfs/dbraw/zinc/81/28/96/600812896.db2.gz HGOKKYHDDWNEDZ-OCCSQVGLSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N2CCN(CCCCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703559 601445868 /nfs/dbraw/zinc/44/58/68/601445868.db2.gz OQKIOAZCICUTBN-CYBMUJFWSA-N -1 1 394.428 0.692 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2C[C@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702976 602137819 /nfs/dbraw/zinc/13/78/19/602137819.db2.gz FZAMSYNMXKOBPC-NZVBXONLSA-N -1 1 378.385 0.317 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826500245 607552387 /nfs/dbraw/zinc/55/23/87/607552387.db2.gz PQWZXHUILAJYSK-MNOVXSKESA-N -1 1 394.413 0.822 20 5 GCBDMM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826061015 607585214 /nfs/dbraw/zinc/58/52/14/607585214.db2.gz YJNAIVSEZVAKCX-JTQLQIEISA-N -1 1 395.401 0.064 20 5 GCBDMM O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)N1CCCCC1 ZINC000826413049 607589465 /nfs/dbraw/zinc/58/94/65/607589465.db2.gz OFOZHTVRVNDTDT-UHFFFAOYSA-N -1 1 395.401 0.066 20 5 GCBDMM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824908195 607591508 /nfs/dbraw/zinc/59/15/08/607591508.db2.gz NMJBCMXOZKUDPZ-DTWKUNHWSA-N -1 1 395.401 0.049 20 5 GCBDMM CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486652 607613079 /nfs/dbraw/zinc/61/30/79/607613079.db2.gz VDWUWDCWUKGNGP-MRVPVSSYSA-N -1 1 384.374 0.347 20 5 GCBDMM CC(C)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1=O ZINC000824295925 607616016 /nfs/dbraw/zinc/61/60/16/607616016.db2.gz BTZRITDCCPJUMF-SECBINFHSA-N -1 1 395.401 0.063 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000826500332 607626106 /nfs/dbraw/zinc/62/61/06/607626106.db2.gz UKGASPKDOGQSOH-SECBINFHSA-N -1 1 380.342 0.380 20 5 GCBDMM CC(C)(C)CN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824086437 607632065 /nfs/dbraw/zinc/63/20/65/607632065.db2.gz LQJQWSYJUYVPOE-UHFFFAOYSA-N -1 1 384.418 0.804 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826499989 607643653 /nfs/dbraw/zinc/64/36/53/607643653.db2.gz HJFSYJJIKCDFEV-MWLCHTKSSA-N -1 1 382.402 0.604 20 5 GCBDMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826284253 607643942 /nfs/dbraw/zinc/64/39/42/607643942.db2.gz NYBUBQIMDPCJSB-JTQLQIEISA-N -1 1 394.369 0.688 20 5 GCBDMM C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000824823730 607660533 /nfs/dbraw/zinc/66/05/33/607660533.db2.gz OENXXYDGXZNHIS-WFASDCNBSA-N -1 1 396.429 0.994 20 5 GCBDMM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824442113 607666703 /nfs/dbraw/zinc/66/67/03/607666703.db2.gz UPPHQCZJESFLIX-UWVGGRQHSA-N -1 1 398.401 0.247 20 5 GCBDMM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824442109 607666790 /nfs/dbraw/zinc/66/67/90/607666790.db2.gz UPPHQCZJESFLIX-NXEZZACHSA-N -1 1 398.401 0.247 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCO[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826500038 607669931 /nfs/dbraw/zinc/66/99/31/607669931.db2.gz JCGZKQOHNXPALB-JTQLQIEISA-N -1 1 398.401 0.249 20 5 GCBDMM CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000833492716 605210414 /nfs/dbraw/zinc/21/04/14/605210414.db2.gz QCDUTYYGSHSEPW-JTQLQIEISA-N -1 1 391.377 0.628 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000822609060 606157373 /nfs/dbraw/zinc/15/73/73/606157373.db2.gz IPXKTFBCDXWGPI-UHFFFAOYSA-N -1 1 399.375 0.258 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000822609060 606157375 /nfs/dbraw/zinc/15/73/75/606157375.db2.gz IPXKTFBCDXWGPI-UHFFFAOYSA-N -1 1 399.375 0.258 20 5 GCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc3cc([N+](=O)[O-])ccc3o2)c1=O ZINC000821565229 606310541 /nfs/dbraw/zinc/31/05/41/606310541.db2.gz JWAAEQSZYIZARR-UHFFFAOYSA-N -1 1 384.312 0.308 20 5 GCBDMM CCOc1ccnc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000821436577 606707797 /nfs/dbraw/zinc/70/77/97/606707797.db2.gz CEBPVVOWPTZSDA-UHFFFAOYSA-N -1 1 398.387 0.685 20 5 GCBDMM CCOc1ccnc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821436577 606707800 /nfs/dbraw/zinc/70/78/00/606707800.db2.gz CEBPVVOWPTZSDA-UHFFFAOYSA-N -1 1 398.387 0.685 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnnn1C1CCOCC1 ZINC000823630310 606709468 /nfs/dbraw/zinc/70/94/68/606709468.db2.gz WPOPUFBBYRRFKJ-UHFFFAOYSA-N -1 1 376.362 0.659 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnnn1C1CCOCC1 ZINC000823630310 606709470 /nfs/dbraw/zinc/70/94/70/606709470.db2.gz WPOPUFBBYRRFKJ-UHFFFAOYSA-N -1 1 376.362 0.659 20 5 GCBDMM CCO[C@@H]1C[C@H](O)C12CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821358413 606712295 /nfs/dbraw/zinc/71/22/95/606712295.db2.gz ISSGMIWOCBRLSH-NWDGAFQWSA-N -1 1 375.389 0.926 20 5 GCBDMM CCO[C@@H]1C[C@H](O)C12CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821358413 606712296 /nfs/dbraw/zinc/71/22/96/606712296.db2.gz ISSGMIWOCBRLSH-NWDGAFQWSA-N -1 1 375.389 0.926 20 5 GCBDMM CCO[C@@H]1C[C@@H](O)C12CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821358418 606712487 /nfs/dbraw/zinc/71/24/87/606712487.db2.gz ISSGMIWOCBRLSH-VXGBXAGGSA-N -1 1 375.389 0.926 20 5 GCBDMM CCO[C@@H]1C[C@@H](O)C12CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821358418 606712489 /nfs/dbraw/zinc/71/24/89/606712489.db2.gz ISSGMIWOCBRLSH-VXGBXAGGSA-N -1 1 375.389 0.926 20 5 GCBDMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1=O ZINC000821620312 606715368 /nfs/dbraw/zinc/71/53/68/606715368.db2.gz FLURTVFICCAMHZ-ANRSDYALSA-N -1 1 387.360 0.302 20 5 GCBDMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1=O ZINC000821620312 606715370 /nfs/dbraw/zinc/71/53/70/606715370.db2.gz FLURTVFICCAMHZ-ANRSDYALSA-N -1 1 387.360 0.302 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C3CC3)CC2)c1-c1nn[n-]n1 ZINC000823648001 606733344 /nfs/dbraw/zinc/73/33/44/606733344.db2.gz RPIJINVEDDJLSC-UHFFFAOYSA-N -1 1 379.402 0.244 20 5 GCBDMM CN(Cc1cnccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821617051 606734729 /nfs/dbraw/zinc/73/47/29/606734729.db2.gz UJMYBKQBMRYGSI-UHFFFAOYSA-N -1 1 376.358 0.386 20 5 GCBDMM CCn1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000821565188 606734816 /nfs/dbraw/zinc/73/48/16/606734816.db2.gz HVFYBYCGGQGOBK-UHFFFAOYSA-N -1 1 392.401 0.812 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C3CCC3)CC2)c1-c1nn[n-]n1 ZINC000823647611 606735768 /nfs/dbraw/zinc/73/57/68/606735768.db2.gz NDHODBSFUSEQBL-UHFFFAOYSA-N -1 1 393.429 0.634 20 5 GCBDMM CCOC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821369190 606736204 /nfs/dbraw/zinc/73/62/04/606736204.db2.gz XQFLQJLFLYEMOH-SNVBAGLBSA-N -1 1 382.402 0.822 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)CCOCC3)c1-c1nn[n-]n1 ZINC000823648601 606737205 /nfs/dbraw/zinc/73/72/05/606737205.db2.gz YAAOJCINMTUDPN-UHFFFAOYSA-N -1 1 394.413 0.966 20 5 GCBDMM C[C@@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOC1(C)C ZINC000820819100 606873568 /nfs/dbraw/zinc/87/35/68/606873568.db2.gz DYWFWNWSGDXFQN-VIFPVBQESA-N -1 1 382.402 0.963 20 5 GCBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000820461327 607163924 /nfs/dbraw/zinc/16/39/24/607163924.db2.gz HSSCSNIQMVUDHB-MRVPVSSYSA-N -1 1 390.385 0.990 20 5 GCBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000820461327 607163926 /nfs/dbraw/zinc/16/39/26/607163926.db2.gz HSSCSNIQMVUDHB-MRVPVSSYSA-N -1 1 390.385 0.990 20 5 GCBDMM CCCS(=O)(=O)NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821139317 607167303 /nfs/dbraw/zinc/16/73/03/607167303.db2.gz SYQRFKLGDFKAKX-UHFFFAOYSA-N -1 1 396.433 0.468 20 5 GCBDMM CCCS(=O)(=O)NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821139317 607167304 /nfs/dbraw/zinc/16/73/04/607167304.db2.gz SYQRFKLGDFKAKX-UHFFFAOYSA-N -1 1 396.433 0.468 20 5 GCBDMM O=C1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)CCN1 ZINC000823535562 607167730 /nfs/dbraw/zinc/16/77/30/607167730.db2.gz AWTJNEJMMKXVEF-UHFFFAOYSA-N -1 1 382.344 0.245 20 5 GCBDMM O=C1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)CCN1 ZINC000823535562 607167731 /nfs/dbraw/zinc/16/77/31/607167731.db2.gz AWTJNEJMMKXVEF-UHFFFAOYSA-N -1 1 382.344 0.245 20 5 GCBDMM Cc1cncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826319869 608025788 /nfs/dbraw/zinc/02/57/88/608025788.db2.gz WTUFIVNQIGNZEC-UHFFFAOYSA-N -1 1 375.370 0.957 20 5 GCBDMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C)c1=O ZINC000826355456 608153769 /nfs/dbraw/zinc/15/37/69/608153769.db2.gz AHFLCXRUNOLQIX-UHFFFAOYSA-N -1 1 398.383 0.341 20 5 GCBDMM C[C@@H]1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824886284 608155144 /nfs/dbraw/zinc/15/51/44/608155144.db2.gz WSBLKLMYGCINBB-ZJUUUORDSA-N -1 1 382.402 0.868 20 5 GCBDMM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426867 608164070 /nfs/dbraw/zinc/16/40/70/608164070.db2.gz YDPAVVPUUXVWQW-MFKMUULPSA-N -1 1 390.381 0.661 20 5 GCBDMM O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426867 608164071 /nfs/dbraw/zinc/16/40/71/608164071.db2.gz YDPAVVPUUXVWQW-MFKMUULPSA-N -1 1 390.381 0.661 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000825934751 608211433 /nfs/dbraw/zinc/21/14/33/608211433.db2.gz RLNURBSUQXMPIU-UHFFFAOYSA-N -1 1 389.351 0.924 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000825934751 608211435 /nfs/dbraw/zinc/21/14/35/608211435.db2.gz RLNURBSUQXMPIU-UHFFFAOYSA-N -1 1 389.351 0.924 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000825933460 608560418 /nfs/dbraw/zinc/56/04/18/608560418.db2.gz FITOOUSXXDGTNP-UHFFFAOYSA-N -1 1 386.376 0.367 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000825933460 608560419 /nfs/dbraw/zinc/56/04/19/608560419.db2.gz FITOOUSXXDGTNP-UHFFFAOYSA-N -1 1 386.376 0.367 20 5 GCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)CN1C ZINC000824991422 608563345 /nfs/dbraw/zinc/56/33/45/608563345.db2.gz AWVBFZFHKUENRW-NXEZZACHSA-N -1 1 381.418 0.488 20 5 GCBDMM CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825901897 608568645 /nfs/dbraw/zinc/56/86/45/608568645.db2.gz LMPSWQZTGFOGFF-QMMMGPOBSA-N -1 1 396.307 0.319 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000826334632 609535923 /nfs/dbraw/zinc/53/59/23/609535923.db2.gz CLAHAAFLHWMXBV-SNVBAGLBSA-N -1 1 385.392 0.238 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000826334632 609535925 /nfs/dbraw/zinc/53/59/25/609535925.db2.gz CLAHAAFLHWMXBV-SNVBAGLBSA-N -1 1 385.392 0.238 20 5 GCBDMM CN(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000725821746 638565015 /nfs/dbraw/zinc/56/50/15/638565015.db2.gz ILOXNPXKATWZRW-UHFFFAOYSA-N -1 1 385.851 0.808 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCS(=O)(=O)Cc1ccccc1 ZINC000742282296 640237902 /nfs/dbraw/zinc/23/79/02/640237902.db2.gz NUAHYADVEXZQSA-UHFFFAOYSA-N -1 1 385.423 0.883 20 5 GCBDMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000758502142 640533204 /nfs/dbraw/zinc/53/32/04/640533204.db2.gz JNHVPVZSWUBFMM-MRVPVSSYSA-N -1 1 397.203 0.560 20 5 GCBDMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000758502143 640533255 /nfs/dbraw/zinc/53/32/55/640533255.db2.gz JNHVPVZSWUBFMM-QMMMGPOBSA-N -1 1 397.203 0.560 20 5 GCBDMM 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ZINC001598493838 992337166 /nfs/dbraw/zinc/33/71/66/992337166.db2.gz DKPNDYHFUKYQOT-UHFFFAOYSA-N -1 1 396.219 0.652 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)CC1 ZINC001598625044 994073058 /nfs/dbraw/zinc/07/30/58/994073058.db2.gz XQOOIFGRFPHKGS-OAHLLOKOSA-N -1 1 393.400 0.664 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCO[C@H](C(=O)[O-])C3)c2)CC1 ZINC001598625042 994073694 /nfs/dbraw/zinc/07/36/94/994073694.db2.gz XQOOIFGRFPHKGS-HNNXBMFYSA-N -1 1 393.400 0.664 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599462206 998292941 /nfs/dbraw/zinc/29/29/41/998292941.db2.gz UJVXIRUHEKIDTR-APPDUMDISA-N -1 1 379.369 0.965 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599462206 998292947 /nfs/dbraw/zinc/29/29/47/998292947.db2.gz UJVXIRUHEKIDTR-APPDUMDISA-N -1 1 379.369 0.965 20 5 GCBDMM C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1CCC(=O)[O-] ZINC001594470182 999700803 /nfs/dbraw/zinc/70/08/03/999700803.db2.gz DQHNUPYJFZAPPF-LBPRGKRZSA-N -1 1 375.385 0.952 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])n1 ZINC000611109030 530233447 /nfs/dbraw/zinc/23/34/47/530233447.db2.gz ZUPUANYHVUXKRR-UWVGGRQHSA-N -1 1 380.448 0.445 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCOCCO ZINC000285132643 530218600 /nfs/dbraw/zinc/21/86/00/530218600.db2.gz JLPUXGWUYYVCGJ-UHFFFAOYSA-N -1 1 387.183 0.784 20 5 GCBDMM CN1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000264039879 530257353 /nfs/dbraw/zinc/25/73/53/530257353.db2.gz DFIOQDAMEWIWCM-QMMMGPOBSA-N -1 1 378.204 0.866 20 5 GCBDMM CCn1nc(C)c([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000480108974 530266283 /nfs/dbraw/zinc/26/62/83/530266283.db2.gz WYXFYAQHXQWOMJ-UHFFFAOYSA-N -1 1 390.447 0.981 20 5 GCBDMM Cc1onc(N)c1S(=O)(=O)[N-]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289976252 530297506 /nfs/dbraw/zinc/29/75/06/530297506.db2.gz UUKHRJYTCHXREV-UHFFFAOYSA-N -1 1 390.399 0.226 20 5 GCBDMM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000147295013 530298052 /nfs/dbraw/zinc/29/80/52/530298052.db2.gz RINNKAHBCZBGBT-VIFPVBQESA-N -1 1 397.862 0.951 20 5 GCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCN1CCCS1(=O)=O ZINC000142764863 530302129 /nfs/dbraw/zinc/30/21/29/530302129.db2.gz RKNHYGXJLGJABQ-UHFFFAOYSA-N -1 1 383.835 0.562 20 5 GCBDMM CN(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)S(=O)(=O)c1cccs1 ZINC000435965819 530342198 /nfs/dbraw/zinc/34/21/98/530342198.db2.gz OAFPUNOSTFCUFW-UHFFFAOYSA-N -1 1 386.411 0.807 20 5 GCBDMM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264467602 530370707 /nfs/dbraw/zinc/37/07/07/530370707.db2.gz IEWNAISRABGCTI-UHFFFAOYSA-N -1 1 376.778 0.468 20 5 GCBDMM NC(=O)C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000571392943 530507283 /nfs/dbraw/zinc/50/72/83/530507283.db2.gz NNHVEEVGQQKJCR-ZCFIWIBFSA-N -1 1 386.169 0.509 20 5 GCBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC ZINC000292026482 530524317 /nfs/dbraw/zinc/52/43/17/530524317.db2.gz XQBIJLGFUQRPBQ-VIFPVBQESA-N -1 1 397.203 0.824 20 5 GCBDMM COC(=O)[C@H](CC(C)C)NC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000544839715 530581190 /nfs/dbraw/zinc/58/11/90/530581190.db2.gz CPIASJKBKJNJCJ-VIFPVBQESA-N -1 1 393.443 0.639 20 5 GCBDMM COC(=O)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000589825883 530669208 /nfs/dbraw/zinc/66/92/08/530669208.db2.gz MSFUNCFNEBTXJD-UHFFFAOYSA-N -1 1 386.367 0.889 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2(CC(=O)OC)CCOCC2)c([N+](=O)[O-])n1 ZINC000532858282 530899464 /nfs/dbraw/zinc/89/94/64/530899464.db2.gz INGQSCHANOXMGD-UHFFFAOYSA-N -1 1 376.391 0.202 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCN(CC(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000533175730 530900668 /nfs/dbraw/zinc/90/06/68/530900668.db2.gz PGFACZLIXPSJPM-VIFPVBQESA-N -1 1 385.368 0.974 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(S(C)(=O)=O)CC2)c([N+](=O)[O-])n1 ZINC000533631593 530901387 /nfs/dbraw/zinc/90/13/87/530901387.db2.gz QWGQZHXMFMROET-UHFFFAOYSA-N -1 1 380.448 0.445 20 5 GCBDMM Cn1cnc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000092265404 530906384 /nfs/dbraw/zinc/90/63/84/530906384.db2.gz HGLHPBKVDPQBQJ-UHFFFAOYSA-N -1 1 376.192 0.964 20 5 GCBDMM CCO[C@@H]1C[C@](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000600653829 530931344 /nfs/dbraw/zinc/93/13/44/530931344.db2.gz OMPDNEHUXTVCNR-RNCFNFMXSA-N -1 1 376.391 0.265 20 5 GCBDMM CCO[C@H]1C[C@](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000600653831 530931355 /nfs/dbraw/zinc/93/13/55/530931355.db2.gz OMPDNEHUXTVCNR-ZANVPECISA-N -1 1 376.391 0.265 20 5 GCBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS(=O)(=O)CC1 ZINC000501460378 530932636 /nfs/dbraw/zinc/93/26/36/530932636.db2.gz FYEAASDHTQSTEC-UHFFFAOYSA-N -1 1 398.440 0.055 20 5 GCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(OCCO)CCOCC1 ZINC000281996170 530922862 /nfs/dbraw/zinc/92/28/62/530922862.db2.gz LQLMDOURSVTXCM-UHFFFAOYSA-N -1 1 378.378 0.570 20 5 GCBDMM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000269852403 530950695 /nfs/dbraw/zinc/95/06/95/530950695.db2.gz GEUARXFLXCTTBR-SECBINFHSA-N -1 1 397.862 0.808 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576694461 531086633 /nfs/dbraw/zinc/08/66/33/531086633.db2.gz HQQOTGQQWUHMGE-ZJUUUORDSA-N -1 1 378.432 0.129 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576694460 531086942 /nfs/dbraw/zinc/08/69/42/531086942.db2.gz HQQOTGQQWUHMGE-VHSXEESVSA-N -1 1 378.432 0.129 20 5 GCBDMM NC(=O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737753213 598969885 /nfs/dbraw/zinc/96/98/85/598969885.db2.gz NZEIEEMHHHQGBF-UHFFFAOYSA-N -1 1 384.312 0.177 20 5 GCBDMM NC(=O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737753213 598969887 /nfs/dbraw/zinc/96/98/87/598969887.db2.gz NZEIEEMHHHQGBF-UHFFFAOYSA-N -1 1 384.312 0.177 20 5 GCBDMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000737103066 599143716 /nfs/dbraw/zinc/14/37/16/599143716.db2.gz QFSFSSUNMLGXSC-UHFFFAOYSA-N -1 1 399.323 0.974 20 5 GCBDMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000737103066 599143719 /nfs/dbraw/zinc/14/37/19/599143719.db2.gz QFSFSSUNMLGXSC-UHFFFAOYSA-N -1 1 399.323 0.974 20 5 GCBDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738219985 599144139 /nfs/dbraw/zinc/14/41/39/599144139.db2.gz NSAJHXQBDUILPP-UHFFFAOYSA-N -1 1 395.335 0.916 20 5 GCBDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738219985 599144143 /nfs/dbraw/zinc/14/41/43/599144143.db2.gz NSAJHXQBDUILPP-UHFFFAOYSA-N -1 1 395.335 0.916 20 5 GCBDMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822699325 607306281 /nfs/dbraw/zinc/30/62/81/607306281.db2.gz WBTKXSCKBTXITD-MFKMUULPSA-N -1 1 385.388 0.853 20 5 GCBDMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822699325 607306282 /nfs/dbraw/zinc/30/62/82/607306282.db2.gz WBTKXSCKBTXITD-MFKMUULPSA-N -1 1 385.388 0.853 20 5 GCBDMM O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000738313630 598271027 /nfs/dbraw/zinc/27/10/27/598271027.db2.gz KHJQPYIQASORRU-UHFFFAOYSA-N -1 1 376.310 0.750 20 5 GCBDMM O=Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000738313630 598271028 /nfs/dbraw/zinc/27/10/28/598271028.db2.gz KHJQPYIQASORRU-UHFFFAOYSA-N -1 1 376.310 0.750 20 5 GCBDMM O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738366909 598597468 /nfs/dbraw/zinc/59/74/68/598597468.db2.gz KLEYZGSKVNFWHZ-UHFFFAOYSA-N -1 1 391.369 0.527 20 5 GCBDMM O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738366909 598597470 /nfs/dbraw/zinc/59/74/70/598597470.db2.gz KLEYZGSKVNFWHZ-UHFFFAOYSA-N -1 1 391.369 0.527 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CC[C@H](CO)C2)cc1N1CC[C@H](CO)C1 ZINC000823614759 599570230 /nfs/dbraw/zinc/57/02/30/599570230.db2.gz SITYVYPQUAQAGH-RYUDHWBXSA-N -1 1 389.416 0.412 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CC[C@H](CO)C2)cc1N1CC[C@H](CO)C1 ZINC000823614759 599570231 /nfs/dbraw/zinc/57/02/31/599570231.db2.gz SITYVYPQUAQAGH-RYUDHWBXSA-N -1 1 389.416 0.412 20 5 GCBDMM C[C@H](CN1CCN(C)CC1)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736587327 600008646 /nfs/dbraw/zinc/00/86/46/600008646.db2.gz VTORUHDKQQCQNC-GFCCVEGCSA-N -1 1 379.417 0.457 20 5 GCBDMM O=C([O-])CN(CCN1CCOCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000739791941 600173624 /nfs/dbraw/zinc/17/36/24/600173624.db2.gz REVCJMQDUNPHOV-UHFFFAOYSA-N -1 1 377.357 0.330 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000739812101 600671197 /nfs/dbraw/zinc/67/11/97/600671197.db2.gz HGIHYKUGJZTZNX-ZBFHGGJFSA-N -1 1 392.412 0.445 20 5 GCBDMM Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1C(=O)[O-] ZINC000501999740 600810729 /nfs/dbraw/zinc/81/07/29/600810729.db2.gz HRKJJITWMJAQHL-UHFFFAOYSA-N -1 1 384.370 0.837 20 5 GCBDMM CC[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000829160290 600812984 /nfs/dbraw/zinc/81/29/84/600812984.db2.gz HGOKKYHDDWNEDZ-TZMCWYRMSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000827369475 601106482 /nfs/dbraw/zinc/10/64/82/601106482.db2.gz ZDSICISIGJOFTA-GFCCVEGCSA-N -1 1 375.385 0.952 20 5 GCBDMM O=C([O-])C1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)CC1 ZINC000833129797 601719331 /nfs/dbraw/zinc/71/93/31/601719331.db2.gz ROYLNJWGOHRLJL-UHFFFAOYSA-N -1 1 382.354 0.233 20 5 GCBDMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448110 601815837 /nfs/dbraw/zinc/81/58/37/601815837.db2.gz BEFWNRSFVPJOCQ-PGQWDYDZSA-N -1 1 376.369 0.972 20 5 GCBDMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828448107 601815942 /nfs/dbraw/zinc/81/59/42/601815942.db2.gz BEFWNRSFVPJOCQ-OMXAPOSASA-N -1 1 376.369 0.972 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702975 602137895 /nfs/dbraw/zinc/13/78/95/602137895.db2.gz FZAMSYNMXKOBPC-LKTVYLICSA-N -1 1 378.385 0.317 20 5 GCBDMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)c1=O ZINC000826355668 607562312 /nfs/dbraw/zinc/56/23/12/607562312.db2.gz IZLLKDMGKWTRHC-UHFFFAOYSA-N -1 1 398.383 0.341 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1-c1nn[n-]n1 ZINC000826500441 607589747 /nfs/dbraw/zinc/58/97/47/607589747.db2.gz YLMHBKVAAMMJGE-JTQLQIEISA-N -1 1 394.413 0.965 20 5 GCBDMM Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000826298430 607592762 /nfs/dbraw/zinc/59/27/62/607592762.db2.gz RUWPKYGUMXYRNR-UHFFFAOYSA-N -1 1 375.370 0.957 20 5 GCBDMM CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825418334 607595125 /nfs/dbraw/zinc/59/51/25/607595125.db2.gz ZXUDEFPQLPFZHX-SNVBAGLBSA-N -1 1 382.402 0.965 20 5 GCBDMM CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825443469 607597713 /nfs/dbraw/zinc/59/77/13/607597713.db2.gz CDQMYSRBBZLTAE-UHFFFAOYSA-N -1 1 392.401 0.719 20 5 GCBDMM CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824093441 607605816 /nfs/dbraw/zinc/60/58/16/607605816.db2.gz IFTDOPWTBBGVQD-UHFFFAOYSA-N -1 1 397.417 0.358 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826500323 607617932 /nfs/dbraw/zinc/61/79/32/607617932.db2.gz UENWYSQNZFYEJA-JTQLQIEISA-N -1 1 398.401 0.249 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826500162 607623602 /nfs/dbraw/zinc/62/36/02/607623602.db2.gz NJIHFDNKAALHNA-LBPRGKRZSA-N -1 1 390.381 0.787 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1-c1nn[n-]n1 ZINC000826500134 607624336 /nfs/dbraw/zinc/62/43/36/607624336.db2.gz MIOQTCSVAAZESL-LLVKDONJSA-N -1 1 390.381 0.787 20 5 GCBDMM Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1 ZINC000826284254 607644123 /nfs/dbraw/zinc/64/41/23/607644123.db2.gz NYBUBQIMDPCJSB-SNVBAGLBSA-N -1 1 394.369 0.688 20 5 GCBDMM Cn1cc(C(C)(C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826359120 607647518 /nfs/dbraw/zinc/64/75/18/607647518.db2.gz WMOWEWBHGVGSQU-UHFFFAOYSA-N -1 1 392.401 0.722 20 5 GCBDMM CCC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000825176449 607650500 /nfs/dbraw/zinc/65/05/00/607650500.db2.gz TVVYDCLSLJNSHR-UHFFFAOYSA-N -1 1 382.402 0.701 20 5 GCBDMM C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC[C@H]1O ZINC000824823725 607660744 /nfs/dbraw/zinc/66/07/44/607660744.db2.gz OENXXYDGXZNHIS-IUODEOHRSA-N -1 1 396.429 0.994 20 5 GCBDMM COC(=O)CN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826138489 607665818 /nfs/dbraw/zinc/66/58/18/607665818.db2.gz WUFHEUYFLVVPEE-UHFFFAOYSA-N -1 1 382.358 0.101 20 5 GCBDMM Cn1cnc2c1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C2 ZINC000826364695 607666085 /nfs/dbraw/zinc/66/60/85/607666085.db2.gz GSFAHLCOWIWFBT-UHFFFAOYSA-N -1 1 390.385 0.255 20 5 GCBDMM CO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1(C)C ZINC000826144509 607667245 /nfs/dbraw/zinc/66/72/45/607667245.db2.gz LOOJGDJZLZWMRY-GHMZBOCLSA-N -1 1 382.402 0.867 20 5 GCBDMM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825034905 607673264 /nfs/dbraw/zinc/67/32/64/607673264.db2.gz TXSKBCUILVJMKT-SECBINFHSA-N -1 1 395.401 0.064 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC000826500181 607671548 /nfs/dbraw/zinc/67/15/48/607671548.db2.gz NVHWFLPHGDHBHT-SECBINFHSA-N -1 1 390.385 0.334 20 5 GCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833628088 605187597 /nfs/dbraw/zinc/18/75/97/605187597.db2.gz AZBVBGFWKCNVLK-LLVKDONJSA-N -1 1 394.384 0.743 20 5 GCBDMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833628089 605188030 /nfs/dbraw/zinc/18/80/30/605188030.db2.gz AZBVBGFWKCNVLK-NSHDSACASA-N -1 1 394.384 0.743 20 5 GCBDMM CCN(C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000821165116 606709208 /nfs/dbraw/zinc/70/92/08/606709208.db2.gz PJCOASUQFPSTTM-UHFFFAOYSA-N -1 1 396.433 0.420 20 5 GCBDMM CCN(C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000821165116 606709210 /nfs/dbraw/zinc/70/92/10/606709210.db2.gz PJCOASUQFPSTTM-UHFFFAOYSA-N -1 1 396.433 0.420 20 5 GCBDMM CCc1nsc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000821559103 606713465 /nfs/dbraw/zinc/71/34/65/606713465.db2.gz UBIVMFQZSZLIKI-UHFFFAOYSA-N -1 1 388.417 0.910 20 5 GCBDMM CCc1nsc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821559103 606713467 /nfs/dbraw/zinc/71/34/67/606713467.db2.gz UBIVMFQZSZLIKI-UHFFFAOYSA-N -1 1 388.417 0.910 20 5 GCBDMM C[C@@H]1CN=C(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)S1 ZINC000820804060 606713624 /nfs/dbraw/zinc/71/36/24/606713624.db2.gz MESSNDWXBVBAMN-SECBINFHSA-N -1 1 375.418 0.783 20 5 GCBDMM C[C@@H]1CN=C(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)S1 ZINC000820804060 606713626 /nfs/dbraw/zinc/71/36/26/606713626.db2.gz MESSNDWXBVBAMN-SECBINFHSA-N -1 1 375.418 0.783 20 5 GCBDMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820769482 606714644 /nfs/dbraw/zinc/71/46/44/606714644.db2.gz UAVLGOJJTCKQKL-WPRPVWTQSA-N -1 1 382.406 0.252 20 5 GCBDMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820769482 606714646 /nfs/dbraw/zinc/71/46/46/606714646.db2.gz UAVLGOJJTCKQKL-WPRPVWTQSA-N -1 1 382.406 0.252 20 5 GCBDMM CC(C)(C)OC(=O)[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000819928653 606714833 /nfs/dbraw/zinc/71/48/33/606714833.db2.gz TWJOQBPFCMWFIJ-JTQLQIEISA-N -1 1 377.361 0.717 20 5 GCBDMM CC(C)(C)OC(=O)[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000819928653 606714834 /nfs/dbraw/zinc/71/48/34/606714834.db2.gz TWJOQBPFCMWFIJ-JTQLQIEISA-N -1 1 377.361 0.717 20 5 GCBDMM CC(C)(C)OC(=O)[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000819928654 606714913 /nfs/dbraw/zinc/71/49/13/606714913.db2.gz TWJOQBPFCMWFIJ-SNVBAGLBSA-N -1 1 377.361 0.717 20 5 GCBDMM CC(C)(C)OC(=O)[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000819928654 606714915 /nfs/dbraw/zinc/71/49/15/606714915.db2.gz TWJOQBPFCMWFIJ-SNVBAGLBSA-N -1 1 377.361 0.717 20 5 GCBDMM CN(Cc1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821615968 606731143 /nfs/dbraw/zinc/73/11/43/606731143.db2.gz WXEWGPJDSXKGIX-UHFFFAOYSA-N -1 1 375.370 0.991 20 5 GCBDMM CN(CCN1CCCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821601664 606734989 /nfs/dbraw/zinc/73/49/89/606734989.db2.gz UBAOFJVKGBDPAW-UHFFFAOYSA-N -1 1 395.401 0.018 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](CNc2cccnn2)C1 ZINC000823619758 606789649 /nfs/dbraw/zinc/78/96/49/606789649.db2.gz AOOWMBVPQZIFQU-SNVBAGLBSA-N -1 1 384.360 0.277 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](CNc2cccnn2)C1 ZINC000823619758 606789650 /nfs/dbraw/zinc/78/96/50/606789650.db2.gz AOOWMBVPQZIFQU-SNVBAGLBSA-N -1 1 384.360 0.277 20 5 GCBDMM COCCC(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821685662 607129998 /nfs/dbraw/zinc/12/99/98/607129998.db2.gz LZOUZMCODUIENU-UHFFFAOYSA-N -1 1 376.377 0.609 20 5 GCBDMM COCCC(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821685662 607130000 /nfs/dbraw/zinc/13/00/00/607130000.db2.gz LZOUZMCODUIENU-UHFFFAOYSA-N -1 1 376.377 0.609 20 5 GCBDMM CCN(CC)C(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821175087 607167050 /nfs/dbraw/zinc/16/70/50/607167050.db2.gz CIRISXWCUPZNQR-UHFFFAOYSA-N -1 1 375.393 0.754 20 5 GCBDMM CCN(CC)C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821175087 607167051 /nfs/dbraw/zinc/16/70/51/607167051.db2.gz CIRISXWCUPZNQR-UHFFFAOYSA-N -1 1 375.393 0.754 20 5 GCBDMM CC[C@@H](C)NC(=O)CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820875677 607167147 /nfs/dbraw/zinc/16/71/47/607167147.db2.gz CHHMLYPJYBLIIG-LLVKDONJSA-N -1 1 389.420 0.207 20 5 GCBDMM CC[C@@H](C)NC(=O)CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820875677 607167148 /nfs/dbraw/zinc/16/71/48/607167148.db2.gz CHHMLYPJYBLIIG-LLVKDONJSA-N -1 1 389.420 0.207 20 5 GCBDMM CSc1[nH]c(=O)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC000821978328 607228816 /nfs/dbraw/zinc/22/88/16/607228816.db2.gz LQZQQGJAGNLOPE-UHFFFAOYSA-N -1 1 391.373 0.224 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826500462 607938770 /nfs/dbraw/zinc/93/87/70/607938770.db2.gz ZBRZCMCVIPPVQI-ZCFIWIBFSA-N -1 1 396.307 0.367 20 5 GCBDMM CC(C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)[O-] ZINC000824235655 608011087 /nfs/dbraw/zinc/01/10/87/608011087.db2.gz JFZQAHQDLIRVQW-QMMMGPOBSA-N -1 1 384.374 0.553 20 5 GCBDMM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486201 608127339 /nfs/dbraw/zinc/12/73/39/608127339.db2.gz OAXNRXFDIINLDL-BDAKNGLRSA-N -1 1 398.401 0.641 20 5 GCBDMM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426868 608164029 /nfs/dbraw/zinc/16/40/29/608164029.db2.gz YDPAVVPUUXVWQW-ZWNOBZJWSA-N -1 1 390.381 0.661 20 5 GCBDMM O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426868 608164030 /nfs/dbraw/zinc/16/40/30/608164030.db2.gz YDPAVVPUUXVWQW-ZWNOBZJWSA-N -1 1 390.381 0.661 20 5 GCBDMM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826227303 608422494 /nfs/dbraw/zinc/42/24/94/608422494.db2.gz OXVCDAOLMWKJRZ-IONNQARKSA-N -1 1 388.431 0.166 20 5 GCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)CN1C ZINC000824991425 608563390 /nfs/dbraw/zinc/56/33/90/608563390.db2.gz AWVBFZFHKUENRW-UWVGGRQHSA-N -1 1 381.418 0.488 20 5 GCBDMM Cc1nc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)no1 ZINC000826326070 609319042 /nfs/dbraw/zinc/31/90/42/609319042.db2.gz YKPAONNJRRNZEW-UHFFFAOYSA-N -1 1 380.346 0.287 20 5 GCBDMM CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908535 609333850 /nfs/dbraw/zinc/33/38/50/609333850.db2.gz JCDDTHOVONQTAA-PWSUYJOCSA-N -1 1 396.429 0.947 20 5 GCBDMM NC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389360 609621706 /nfs/dbraw/zinc/62/17/06/609621706.db2.gz WDCCNQRQJSQZGV-CYBMUJFWSA-N -1 1 384.308 0.864 20 5 GCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826415918 609622055 /nfs/dbraw/zinc/62/20/55/609622055.db2.gz YNICMVKLKLVMIS-UHFFFAOYSA-N -1 1 398.335 0.954 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000754804258 640459633 /nfs/dbraw/zinc/45/96/33/640459633.db2.gz GIDZHBFSBOCKNW-UHFFFAOYSA-N -1 1 375.407 0.709 20 5 GCBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000778067689 641146620 /nfs/dbraw/zinc/14/66/20/641146620.db2.gz JESUVPUDBRLAHY-QMMMGPOBSA-N -1 1 397.203 0.824 20 5 GCBDMM NC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000814986660 641814890 /nfs/dbraw/zinc/81/48/90/641814890.db2.gz KFUGKDQXBMIXGS-UHFFFAOYSA-N -1 1 395.796 0.948 20 5 GCBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000815030981 641817319 /nfs/dbraw/zinc/81/73/19/641817319.db2.gz VWJFRTYLSHWYIW-UHFFFAOYSA-N -1 1 381.769 0.524 20 5 GCBDMM O=C([N-]S(=O)(=O)c1ccccc1I)[C@@H]1CC1[N+](=O)[O-] ZINC000842303441 642330179 /nfs/dbraw/zinc/33/01/79/642330179.db2.gz DAPWJJRSKATVDY-HTRCEHHLSA-N -1 1 396.162 0.761 20 5 GCBDMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859362185 643004298 /nfs/dbraw/zinc/00/42/98/643004298.db2.gz RHCKHIJMEFVMOO-UHFFFAOYSA-N -1 1 393.805 0.596 20 5 GCBDMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000785310978 1192219019 /nfs/dbraw/zinc/21/90/19/1192219019.db2.gz YRNBCOOOLYZUOV-DTWKUNHWSA-N -1 1 391.377 0.469 20 5 GCBDMM CN(CCc1ccccn1)C(=O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262516 1184636318 /nfs/dbraw/zinc/63/63/18/1184636318.db2.gz DRKFPUXGHNCMMK-UHFFFAOYSA-N -1 1 379.398 0.364 20 5 GCBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000610269926 1184714897 /nfs/dbraw/zinc/71/48/97/1184714897.db2.gz RVQGRDKMJRMCPR-GXSJLCMTSA-N -1 1 380.386 0.196 20 5 GCBDMM CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000580805900 1185369642 /nfs/dbraw/zinc/36/96/42/1185369642.db2.gz MMOVHVNPAHIVOV-LLVKDONJSA-N -1 1 387.418 0.086 20 5 GCBDMM CNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cn1C ZINC000548225506 1185898161 /nfs/dbraw/zinc/89/81/61/1185898161.db2.gz NOHPJNZXPHTSFL-UHFFFAOYSA-N -1 1 382.354 0.792 20 5 GCBDMM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O ZINC000548663340 1186394789 /nfs/dbraw/zinc/39/47/89/1186394789.db2.gz RXZQUGWBUGVNSV-NSHDSACASA-N -1 1 394.413 0.680 20 5 GCBDMM O=C(Nc1nnn[n-]1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264003974 1186495984 /nfs/dbraw/zinc/49/59/84/1186495984.db2.gz IDNSJZKOSNGKLQ-SECBINFHSA-N -1 1 381.374 0.147 20 5 GCBDMM O=C(Nc1nn[n-]n1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264003974 1186495990 /nfs/dbraw/zinc/49/59/90/1186495990.db2.gz IDNSJZKOSNGKLQ-SECBINFHSA-N -1 1 381.374 0.147 20 5 GCBDMM COc1ccc(C[C@@H](CO)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1O ZINC000278198477 1186824203 /nfs/dbraw/zinc/82/42/03/1186824203.db2.gz PSDUNOSLGZYOPY-LLVKDONJSA-N -1 1 377.353 0.991 20 5 GCBDMM COc1ccc(C[C@H](CO)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1O ZINC000278198478 1186824514 /nfs/dbraw/zinc/82/45/14/1186824514.db2.gz PSDUNOSLGZYOPY-NSHDSACASA-N -1 1 377.353 0.991 20 5 GCBDMM CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000364529732 1187447494 /nfs/dbraw/zinc/44/74/94/1187447494.db2.gz 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NC(=O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000146769387 530304872 /nfs/dbraw/zinc/30/48/72/530304872.db2.gz DHWUMJQEIKQPST-UHFFFAOYSA-N -1 1 377.806 0.809 20 5 GCBDMM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480659597 530322751 /nfs/dbraw/zinc/32/27/51/530322751.db2.gz NCKJOTSIVPDDKS-JTQLQIEISA-N -1 1 382.822 0.941 20 5 GCBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000270465398 530863036 /nfs/dbraw/zinc/86/30/36/530863036.db2.gz GMOPTSPNWSMWOQ-LLVKDONJSA-N -1 1 386.304 0.958 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)c([N+](=O)[O-])n1 ZINC000594790291 530882725 /nfs/dbraw/zinc/88/27/25/530882725.db2.gz CKLLYZJSQVBFAO-UHFFFAOYSA-N -1 1 380.448 0.304 20 5 GCBDMM CC(C)=CCSC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600656033 530931314 /nfs/dbraw/zinc/93/13/14/530931314.db2.gz VLNVHWMSEGYLDX-SECBINFHSA-N -1 1 378.432 0.759 20 5 GCBDMM COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000501160615 530932281 /nfs/dbraw/zinc/93/22/81/530932281.db2.gz CNMLWYRVTJDJBP-MRVPVSSYSA-N -1 1 377.400 0.099 20 5 GCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1COC2(CCOCC2)O1 ZINC000272044901 530946641 /nfs/dbraw/zinc/94/66/41/530946641.db2.gz LWNKVNCLAKFSJE-JTQLQIEISA-N -1 1 376.362 0.934 20 5 GCBDMM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000269852409 530950952 /nfs/dbraw/zinc/95/09/52/530950952.db2.gz GEUARXFLXCTTBR-VIFPVBQESA-N -1 1 397.862 0.808 20 5 GCBDMM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000487698352 530956903 /nfs/dbraw/zinc/95/69/03/530956903.db2.gz FQIPSIMFKVOHGO-QMMMGPOBSA-N -1 1 383.176 0.170 20 5 GCBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC000270007895 530988154 /nfs/dbraw/zinc/98/81/54/530988154.db2.gz SYNPPBFQMSGZCZ-NSHDSACASA-N -1 1 381.204 0.787 20 5 GCBDMM CCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])ccc1=O ZINC000736722872 599041825 /nfs/dbraw/zinc/04/18/25/599041825.db2.gz PLKPAVUVHFZQHX-UHFFFAOYSA-N -1 1 391.369 0.757 20 5 GCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000736713224 599157489 /nfs/dbraw/zinc/15/74/89/599157489.db2.gz IVSQWEDKHHCEAC-UHFFFAOYSA-N -1 1 377.748 0.820 20 5 GCBDMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822699323 607306381 /nfs/dbraw/zinc/30/63/81/607306381.db2.gz WBTKXSCKBTXITD-GWCFXTLKSA-N -1 1 385.388 0.853 20 5 GCBDMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822699323 607306382 /nfs/dbraw/zinc/30/63/82/607306382.db2.gz WBTKXSCKBTXITD-GWCFXTLKSA-N -1 1 385.388 0.853 20 5 GCBDMM CN(C)CC(=O)N1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737361369 599705969 /nfs/dbraw/zinc/70/59/69/599705969.db2.gz SKBXOZIMVCHBHM-UHFFFAOYSA-N -1 1 381.345 0.411 20 5 GCBDMM CC(C)(O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736340952 600208198 /nfs/dbraw/zinc/20/81/98/600208198.db2.gz GLIXPIOVHCXLDY-UHFFFAOYSA-N -1 1 380.401 0.302 20 5 GCBDMM C[C@H](CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000736655488 600432929 /nfs/dbraw/zinc/43/29/29/600432929.db2.gz DGCWSDZBFYKOMG-OLZOCXBDSA-N -1 1 393.444 0.846 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1-c1nnn[n-]1 ZINC000826498609 607451136 /nfs/dbraw/zinc/45/11/36/607451136.db2.gz COUPGOAXFPVQDK-LBPRGKRZSA-N -1 1 393.429 0.084 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1-c1nn[n-]n1 ZINC000826498609 607451138 /nfs/dbraw/zinc/45/11/38/607451138.db2.gz COUPGOAXFPVQDK-LBPRGKRZSA-N -1 1 393.429 0.084 20 5 GCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000600869204 601098668 /nfs/dbraw/zinc/09/86/68/601098668.db2.gz LKXSRYDZBXDJLF-ZDUSSCGKSA-N -1 1 392.412 0.722 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN(CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000833252625 601446403 /nfs/dbraw/zinc/44/64/03/601446403.db2.gz SDQAKBUQBJYTSM-UHFFFAOYSA-N -1 1 380.401 0.304 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2C[C@@H]3[C@H](C2)OCCN3C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702977 602137853 /nfs/dbraw/zinc/13/78/53/602137853.db2.gz FZAMSYNMXKOBPC-VQISRLSMSA-N -1 1 378.385 0.317 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826500246 607552708 /nfs/dbraw/zinc/55/27/08/607552708.db2.gz PQWZXHUILAJYSK-QWRGUYRKSA-N -1 1 394.413 0.822 20 5 GCBDMM COc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826203616 607582244 /nfs/dbraw/zinc/58/22/44/607582244.db2.gz XPONBRBHQNKOQF-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825220814 607585242 /nfs/dbraw/zinc/58/52/42/607585242.db2.gz WXXXBWRVIGATLY-ZJUUUORDSA-N -1 1 382.402 0.963 20 5 GCBDMM CCCN(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825307629 607586861 /nfs/dbraw/zinc/58/68/61/607586861.db2.gz HZGNNUZEIPDMKZ-UHFFFAOYSA-N -1 1 384.374 0.349 20 5 GCBDMM NC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826391595 607590698 /nfs/dbraw/zinc/59/06/98/607590698.db2.gz SDDIJCWEYZGUSM-UHFFFAOYSA-N -1 1 395.401 0.194 20 5 GCBDMM Cc1nccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000826330214 607594966 /nfs/dbraw/zinc/59/49/66/607594966.db2.gz KDIBBOUYBLTEAS-UHFFFAOYSA-N -1 1 376.358 0.352 20 5 GCBDMM CCC(CC)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(N)=O ZINC000825096350 607601501 /nfs/dbraw/zinc/60/15/01/607601501.db2.gz MLHUNFAOWPPBMM-UHFFFAOYSA-N -1 1 383.390 0.097 20 5 GCBDMM COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)C ZINC000826112086 607616580 /nfs/dbraw/zinc/61/65/80/607616580.db2.gz RYEDGJBLAVAGAQ-LLVKDONJSA-N -1 1 398.401 0.641 20 5 GCBDMM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826390319 607622124 /nfs/dbraw/zinc/62/21/24/607622124.db2.gz WRYDZXODKHJTCS-BDAKNGLRSA-N -1 1 395.401 0.097 20 5 GCBDMM C[C@@H](O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824690958 607630641 /nfs/dbraw/zinc/63/06/41/607630641.db2.gz WRCUNOWUOPGYDI-SECBINFHSA-N -1 1 382.402 0.556 20 5 GCBDMM CC[C@H](C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825051585 607635514 /nfs/dbraw/zinc/63/55/14/607635514.db2.gz RUTOCMRYIBUMSP-LKFCYVNXSA-N -1 1 384.418 0.850 20 5 GCBDMM CC(C)(C)C[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824085520 607637678 /nfs/dbraw/zinc/63/76/78/607637678.db2.gz FLNCXISFGLVNIW-SECBINFHSA-N -1 1 384.418 0.850 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826499877 607639018 /nfs/dbraw/zinc/63/90/18/607639018.db2.gz BUUWRAHBXPSSHX-QMMMGPOBSA-N -1 1 396.307 0.367 20 5 GCBDMM CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824305079 607651717 /nfs/dbraw/zinc/65/17/17/607651717.db2.gz KLHJPCIEBANASM-SECBINFHSA-N -1 1 398.401 0.641 20 5 GCBDMM Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826333655 607656754 /nfs/dbraw/zinc/65/67/54/607656754.db2.gz QBUXJXQZMYZENP-UHFFFAOYSA-N -1 1 392.401 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826499874 607658971 /nfs/dbraw/zinc/65/89/71/607658971.db2.gz BPRFBEAETJQTSC-NSHDSACASA-N -1 1 396.429 0.994 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CCCCC2)c1-c1nn[n-]n1 ZINC000826500066 607666981 /nfs/dbraw/zinc/66/69/81/607666981.db2.gz JWYKIFTWOWODQR-UHFFFAOYSA-N -1 1 396.429 0.996 20 5 GCBDMM CO[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1(C)C ZINC000826144510 607667723 /nfs/dbraw/zinc/66/77/23/607667723.db2.gz LOOJGDJZLZWMRY-MNOVXSKESA-N -1 1 382.402 0.867 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1-c1nn[n-]n1 ZINC000826500074 607668202 /nfs/dbraw/zinc/66/82/02/607668202.db2.gz KCEQQBLBHBVMLE-MRVPVSSYSA-N -1 1 391.373 0.180 20 5 GCBDMM CC(C)c1[nH]nc(C(=O)N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c1[N+](=O)[O-] ZINC000833508638 605062168 /nfs/dbraw/zinc/06/21/68/605062168.db2.gz ONCSYOQQIOUIHB-UHFFFAOYSA-N -1 1 389.372 0.892 20 5 GCBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000833626565 605166390 /nfs/dbraw/zinc/16/63/90/605166390.db2.gz PMYLKZNSWLRSHS-LBPRGKRZSA-N -1 1 388.384 0.797 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000822609840 606159206 /nfs/dbraw/zinc/15/92/06/606159206.db2.gz WPLYBUIFXHZXFV-UHFFFAOYSA-N -1 1 398.387 0.863 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000822609840 606159207 /nfs/dbraw/zinc/15/92/07/606159207.db2.gz WPLYBUIFXHZXFV-UHFFFAOYSA-N -1 1 398.387 0.863 20 5 GCBDMM Cc1ccc([C@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] ZINC000822228984 606428342 /nfs/dbraw/zinc/42/83/42/606428342.db2.gz KBMMBRXBHMEZKO-VIFPVBQESA-N -1 1 386.372 0.654 20 5 GCBDMM CN(C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000821592665 606702648 /nfs/dbraw/zinc/70/26/48/606702648.db2.gz OYJHIQCMWGUIEJ-UHFFFAOYSA-N -1 1 382.406 0.030 20 5 GCBDMM CN(C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000821592665 606702649 /nfs/dbraw/zinc/70/26/49/606702649.db2.gz OYJHIQCMWGUIEJ-UHFFFAOYSA-N -1 1 382.406 0.030 20 5 GCBDMM CCN1CCN(C2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)C1=O ZINC000821267372 606707945 /nfs/dbraw/zinc/70/79/45/606707945.db2.gz NBSFAVOUCWQCOQ-UHFFFAOYSA-N -1 1 387.404 0.896 20 5 GCBDMM CCN1CCN(C2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)C1=O ZINC000821267372 606707947 /nfs/dbraw/zinc/70/79/47/606707947.db2.gz NBSFAVOUCWQCOQ-UHFFFAOYSA-N -1 1 387.404 0.896 20 5 GCBDMM Cc1cc(C)n(C[C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)n1 ZINC000822198834 606708725 /nfs/dbraw/zinc/70/87/25/606708725.db2.gz LSTOHHIQFRYAFA-GFCCVEGCSA-N -1 1 385.388 0.889 20 5 GCBDMM Cc1cc(C)n(C[C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)n1 ZINC000822198834 606708729 /nfs/dbraw/zinc/70/87/29/606708729.db2.gz LSTOHHIQFRYAFA-GFCCVEGCSA-N -1 1 385.388 0.889 20 5 GCBDMM CS(=O)(=O)CCN1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821926854 606709820 /nfs/dbraw/zinc/70/98/20/606709820.db2.gz MVEOZUHFCJZTBR-UHFFFAOYSA-N -1 1 396.433 0.091 20 5 GCBDMM CS(=O)(=O)CCN1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821926854 606709821 /nfs/dbraw/zinc/70/98/21/606709821.db2.gz MVEOZUHFCJZTBR-UHFFFAOYSA-N -1 1 396.433 0.091 20 5 GCBDMM CNC(=O)CCOC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821632765 606715510 /nfs/dbraw/zinc/71/55/10/606715510.db2.gz IGDSEEKJDJQCKL-UHFFFAOYSA-N -1 1 376.377 0.291 20 5 GCBDMM CNC(=O)CCOC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821632765 606715511 /nfs/dbraw/zinc/71/55/11/606715511.db2.gz IGDSEEKJDJQCKL-UHFFFAOYSA-N -1 1 376.377 0.291 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821933246 606719667 /nfs/dbraw/zinc/71/96/67/606719667.db2.gz YKJDHJLDDAMJKP-WPRPVWTQSA-N -1 1 382.406 0.300 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821933246 606719668 /nfs/dbraw/zinc/71/96/68/606719668.db2.gz YKJDHJLDDAMJKP-WPRPVWTQSA-N -1 1 382.406 0.300 20 5 GCBDMM CC(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000819804009 606731645 /nfs/dbraw/zinc/73/16/45/606731645.db2.gz SCJSGOFPBAKJLC-UHFFFAOYSA-N -1 1 395.401 0.064 20 5 GCBDMM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821639483 606733049 /nfs/dbraw/zinc/73/30/49/606733049.db2.gz ZULVLDCGRGECQA-QMMMGPOBSA-N -1 1 384.374 0.205 20 5 GCBDMM COC(=O)CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821660400 606733092 /nfs/dbraw/zinc/73/30/92/606733092.db2.gz PRDGPYWTYCJZCP-UHFFFAOYSA-N -1 1 384.374 0.349 20 5 GCBDMM CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820142133 606735265 /nfs/dbraw/zinc/73/52/65/606735265.db2.gz HFKWBDFEKWPIDA-VIFPVBQESA-N -1 1 398.401 0.736 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000822501199 606769847 /nfs/dbraw/zinc/76/98/47/606769847.db2.gz ZWYQVSIUTHCMSS-SNVBAGLBSA-N -1 1 399.419 0.546 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000822501199 606769849 /nfs/dbraw/zinc/76/98/49/606769849.db2.gz ZWYQVSIUTHCMSS-SNVBAGLBSA-N -1 1 399.419 0.546 20 5 GCBDMM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000823634464 606789335 /nfs/dbraw/zinc/78/93/35/606789335.db2.gz GIPPAPFHHHPPNO-UHFFFAOYSA-N -1 1 387.341 0.847 20 5 GCBDMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000822207263 606807919 /nfs/dbraw/zinc/80/79/19/606807919.db2.gz PXEHIIPXWLXECR-LLVKDONJSA-N -1 1 382.388 0.983 20 5 GCBDMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000822207263 606807920 /nfs/dbraw/zinc/80/79/20/606807920.db2.gz PXEHIIPXWLXECR-LLVKDONJSA-N -1 1 382.388 0.983 20 5 GCBDMM CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H](C)C1 ZINC000819796563 606872526 /nfs/dbraw/zinc/87/25/26/606872526.db2.gz LQJLPYKQNLCTAG-SECBINFHSA-N -1 1 395.401 0.016 20 5 GCBDMM CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000819796564 606872706 /nfs/dbraw/zinc/87/27/06/606872706.db2.gz LQJLPYKQNLCTAG-VIFPVBQESA-N -1 1 395.401 0.016 20 5 GCBDMM CN(CCCn1ccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821601725 607140532 /nfs/dbraw/zinc/14/05/32/607140532.db2.gz WUSLVKMIANSZMK-UHFFFAOYSA-N -1 1 392.401 0.682 20 5 GCBDMM O=C(c1ccccn1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493574 607167733 /nfs/dbraw/zinc/16/77/33/607167733.db2.gz QTTXNFBPQQXIAK-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM O=C(c1ccccn1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493574 607167734 /nfs/dbraw/zinc/16/77/34/607167734.db2.gz QTTXNFBPQQXIAK-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC000825804796 607851693 /nfs/dbraw/zinc/85/16/93/607851693.db2.gz GQTFCKBLMNVOAP-UHFFFAOYSA-N -1 1 378.374 0.470 20 5 GCBDMM CCn1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])n1 ZINC000825804932 607867562 /nfs/dbraw/zinc/86/75/62/607867562.db2.gz LFRRDCPJJZNVCO-UHFFFAOYSA-N -1 1 383.321 0.898 20 5 GCBDMM CCn1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])n1 ZINC000825804932 607867563 /nfs/dbraw/zinc/86/75/63/607867563.db2.gz LFRRDCPJJZNVCO-UHFFFAOYSA-N -1 1 383.321 0.898 20 5 GCBDMM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826067178 607907604 /nfs/dbraw/zinc/90/76/04/607907604.db2.gz DKUGTXCGYVIMRH-VIFPVBQESA-N -1 1 397.417 0.214 20 5 GCBDMM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826461195 608011410 /nfs/dbraw/zinc/01/14/10/608011410.db2.gz KGPZCFNMVPIFRQ-VIFPVBQESA-N -1 1 396.385 0.650 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826499843 608026820 /nfs/dbraw/zinc/02/68/20/608026820.db2.gz AEMHUZGOXDDODO-NSHDSACASA-N -1 1 380.386 0.574 20 5 GCBDMM CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486202 608127443 /nfs/dbraw/zinc/12/74/43/608127443.db2.gz OAXNRXFDIINLDL-DTWKUNHWSA-N -1 1 398.401 0.641 20 5 GCBDMM C[C@H]1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824886282 608155442 /nfs/dbraw/zinc/15/54/42/608155442.db2.gz WSBLKLMYGCINBB-UWVGGRQHSA-N -1 1 382.402 0.868 20 5 GCBDMM C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCN1C ZINC000824857111 608156711 /nfs/dbraw/zinc/15/67/11/608156711.db2.gz AZYJCZYISVBZHK-NXEZZACHSA-N -1 1 381.418 0.488 20 5 GCBDMM CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1C ZINC000825453241 608238162 /nfs/dbraw/zinc/23/81/62/608238162.db2.gz UQOQEYCBULIOGH-QWRGUYRKSA-N -1 1 395.445 0.878 20 5 GCBDMM CCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825242283 608306489 /nfs/dbraw/zinc/30/64/89/608306489.db2.gz NFCXLHGNLYMYHX-QMMMGPOBSA-N -1 1 384.374 0.395 20 5 GCBDMM CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826146441 608425180 /nfs/dbraw/zinc/42/51/80/608425180.db2.gz WCJBIUHRQNVLGL-GXSJLCMTSA-N -1 1 382.402 0.868 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cnccn2)c1-c1nn[n-]n1 ZINC000826500286 608425397 /nfs/dbraw/zinc/42/53/97/608425397.db2.gz SAAHSOZORKUSNQ-UHFFFAOYSA-N -1 1 376.358 0.086 20 5 GCBDMM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825067035 608473122 /nfs/dbraw/zinc/47/31/22/608473122.db2.gz GNEGSBPBALOFGD-QMMMGPOBSA-N -1 1 384.374 0.649 20 5 GCBDMM C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824991427 608563447 /nfs/dbraw/zinc/56/34/47/608563447.db2.gz AWVBFZFHKUENRW-VHSXEESVSA-N -1 1 381.418 0.488 20 5 GCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826425649 609401522 /nfs/dbraw/zinc/40/15/22/609401522.db2.gz MRKHWRAJAGAIJN-UHFFFAOYSA-N -1 1 377.752 0.379 20 5 GCBDMM CCCCCN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825271401 609578505 /nfs/dbraw/zinc/57/85/05/609578505.db2.gz JAULZNMESHVLFW-UHFFFAOYSA-N -1 1 397.417 0.441 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824640372 609579897 /nfs/dbraw/zinc/57/98/97/609579897.db2.gz HJLCSMVNZGFJPK-NXEZZACHSA-N -1 1 382.402 0.868 20 5 GCBDMM CC(C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000824300436 609584389 /nfs/dbraw/zinc/58/43/89/609584389.db2.gz GQIQNDWACULTQX-UHFFFAOYSA-N -1 1 395.401 0.016 20 5 GCBDMM Cc1nc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826326815 609585182 /nfs/dbraw/zinc/58/51/82/609585182.db2.gz FZOPVDDHBDGACI-UHFFFAOYSA-N -1 1 395.343 0.072 20 5 GCBDMM CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757743893 640515992 /nfs/dbraw/zinc/51/59/92/640515992.db2.gz HWZAVGSRBHMVJJ-UHFFFAOYSA-N -1 1 384.183 0.911 20 5 GCBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000758482665 640530632 /nfs/dbraw/zinc/53/06/32/640530632.db2.gz GYEPDXYIUWBTEG-SSDOTTSWSA-N -1 1 382.192 0.136 20 5 GCBDMM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000765207300 640663026 /nfs/dbraw/zinc/66/30/26/640663026.db2.gz FAUHFHKVZFACRV-UHFFFAOYSA-N -1 1 395.191 0.221 20 5 GCBDMM NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825886 641713382 /nfs/dbraw/zinc/71/33/82/641713382.db2.gz PMGZTJOOWOWSHO-UHFFFAOYSA-N -1 1 385.185 0.765 20 5 GCBDMM O=C(C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])NC1CC1 ZINC000038039751 642061635 /nfs/dbraw/zinc/06/16/35/642061635.db2.gz VKOGBKHDLLYXOL-UHFFFAOYSA-N -1 1 378.204 0.914 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000841547241 642310445 /nfs/dbraw/zinc/31/04/45/642310445.db2.gz AOEZGTAPNOROQC-SSDOTTSWSA-N -1 1 379.757 0.318 20 5 GCBDMM O=C([N-]S(=O)(=O)c1ccc(I)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842336359 642331356 /nfs/dbraw/zinc/33/13/56/642331356.db2.gz VLUYNTZSBXRNSC-RKDXNWHRSA-N -1 1 396.162 0.761 20 5 GCBDMM NC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1 ZINC000848501144 642543594 /nfs/dbraw/zinc/54/35/94/642543594.db2.gz FJMXIVRVTUKAAH-LLVKDONJSA-N -1 1 394.203 0.280 20 5 GCBDMM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000859344525 643002463 /nfs/dbraw/zinc/00/24/63/643002463.db2.gz XCSUGZLEDFQWSL-QMMMGPOBSA-N -1 1 397.203 0.560 20 5 GCBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000512460840 1192716419 /nfs/dbraw/zinc/71/64/19/1192716419.db2.gz WSJAODVGJTWWTB-CMPLNLGQSA-N -1 1 390.418 0.448 20 5 GCBDMM O=C(CN1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000274873695 1184412820 /nfs/dbraw/zinc/41/28/20/1184412820.db2.gz FPUCBMILTLRABF-UHFFFAOYSA-N -1 1 377.401 0.466 20 5 GCBDMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274945675 1184437814 /nfs/dbraw/zinc/43/78/14/1184437814.db2.gz GUVODLFOOOUYDQ-LLVKDONJSA-N -1 1 394.384 0.569 20 5 GCBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3nn[n-]n3)CC2)cc1OC ZINC000430311854 1184589151 /nfs/dbraw/zinc/58/91/51/1184589151.db2.gz LUIPWCLVVVMMMX-UHFFFAOYSA-N -1 1 378.345 0.561 20 5 GCBDMM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000610267907 1184686595 /nfs/dbraw/zinc/68/65/95/1184686595.db2.gz QDFBBSCVFVJRLY-JTQLQIEISA-N -1 1 380.386 0.116 20 5 GCBDMM Cn1cc(C[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cn1 ZINC000547887783 1184734113 /nfs/dbraw/zinc/73/41/13/1184734113.db2.gz YLPIQTWQPLRLHR-SNVBAGLBSA-N -1 1 386.361 0.689 20 5 GCBDMM COc1cc[n-]c(=NNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000728260852 1184834278 /nfs/dbraw/zinc/83/42/78/1184834278.db2.gz USCIXSMXCISXQY-UHFFFAOYSA-N -1 1 383.342 0.470 20 5 GCBDMM COCCNC(=O)Cn1cc([N-]c2ncc(C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000477737742 1186037290 /nfs/dbraw/zinc/03/72/90/1186037290.db2.gz GCTLAIVETKILSD-UHFFFAOYSA-N -1 1 378.345 0.479 20 5 GCBDMM O=C1c2ccccc2C(=O)N1CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000551986037 1186463148 /nfs/dbraw/zinc/46/31/48/1186463148.db2.gz QXBXCVMVVZZUBA-UHFFFAOYSA-N -1 1 390.377 0.954 20 5 GCBDMM C[C@H](CN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000478580685 1186522146 /nfs/dbraw/zinc/52/21/46/1186522146.db2.gz CGZZAJFDBCCFKV-SECBINFHSA-N -1 1 375.345 0.095 20 5 GCBDMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278042855 1186758335 /nfs/dbraw/zinc/75/83/35/1186758335.db2.gz LDPRIUAXOGLVRA-UHFFFAOYSA-N -1 1 386.430 0.875 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])n1 ZINC000431730992 1187656411 /nfs/dbraw/zinc/65/64/11/1187656411.db2.gz XVVAOZOCAZHTRK-WCQYABFASA-N -1 1 384.418 0.743 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000435627587 1194950369 /nfs/dbraw/zinc/95/03/69/1194950369.db2.gz NBRAZWVREPUPHT-NEPJUHHUSA-N -1 1 385.446 0.881 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccc(C)c(F)c2)c([N+](=O)[O-])n1 ZINC000435800547 1194966033 /nfs/dbraw/zinc/96/60/33/1194966033.db2.gz SSBJSRKDHNRTKA-UHFFFAOYSA-N -1 1 399.404 0.967 20 5 GCBDMM O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O)N1CC(O)C1 ZINC000436851523 1195042414 /nfs/dbraw/zinc/04/24/14/1195042414.db2.gz LZRBOKJPQQVCDH-UHFFFAOYSA-N -1 1 393.377 0.918 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cc(C(=O)OC)on2)c([N+](=O)[O-])n1 ZINC000516817846 1195100407 /nfs/dbraw/zinc/10/04/07/1195100407.db2.gz OHBSLIFTTCWVRB-UHFFFAOYSA-N -1 1 387.374 0.799 20 5 GCBDMM Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000473747641 1195454015 /nfs/dbraw/zinc/45/40/15/1195454015.db2.gz WAXXVPFVIOQVNZ-RYUDHWBXSA-N -1 1 378.364 0.771 20 5 GCBDMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000281864052 1196342994 /nfs/dbraw/zinc/34/29/94/1196342994.db2.gz YXULPFAHDRQVMF-UHFFFAOYSA-N -1 1 380.401 0.163 20 5 GCBDMM O=C(Nc1nnn[n-]1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000524574211 1196607936 /nfs/dbraw/zinc/60/79/36/1196607936.db2.gz KBICTQDAVAXVIN-LLVKDONJSA-N -1 1 381.374 0.290 20 5 GCBDMM O=C(Nc1nn[n-]n1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000524574211 1196607938 /nfs/dbraw/zinc/60/79/38/1196607938.db2.gz KBICTQDAVAXVIN-LLVKDONJSA-N -1 1 381.374 0.290 20 5 GCBDMM O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000525176404 1196653893 /nfs/dbraw/zinc/65/38/93/1196653893.db2.gz AZZSAEYYALMHMG-UHFFFAOYSA-N -1 1 376.394 0.853 20 5 GCBDMM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793616 1197412438 /nfs/dbraw/zinc/41/24/38/1197412438.db2.gz JGMBAFNJKFGUEC-SECBINFHSA-N -1 1 393.791 0.897 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3F)C2)c([N+](=O)[O-])n1 ZINC000533178415 1197435994 /nfs/dbraw/zinc/43/59/94/1197435994.db2.gz JHAPJXJCDOXYPC-SNVBAGLBSA-N -1 1 384.393 0.903 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])n1 ZINC000533176425 1197436051 /nfs/dbraw/zinc/43/60/51/1197436051.db2.gz DTYZPYBKSCEZEJ-UHFFFAOYSA-N -1 1 381.414 0.992 20 5 GCBDMM Cn1c(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nnc1C1CC1 ZINC000542906863 1199151485 /nfs/dbraw/zinc/15/14/85/1199151485.db2.gz MIKUUZCQSQMLKY-UHFFFAOYSA-N -1 1 395.397 0.850 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000611105291 1201215986 /nfs/dbraw/zinc/21/59/86/1201215986.db2.gz QLFLVWXFUUMFIS-UHFFFAOYSA-N -1 1 381.414 0.748 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000611107342 1201216552 /nfs/dbraw/zinc/21/65/52/1201216552.db2.gz KQEWAVOARZZLCU-STQMWFEESA-N -1 1 387.462 0.733 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c([N+](=O)[O-])n1 ZINC000611106418 1201216585 /nfs/dbraw/zinc/21/65/85/1201216585.db2.gz BVYVATMPUPJVGP-MWLCHTKSSA-N -1 1 397.417 0.017 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000611107271 1201216724 /nfs/dbraw/zinc/21/67/24/1201216724.db2.gz FDXXNWDQJYKFIA-GFCCVEGCSA-N -1 1 385.446 0.881 20 5 GCBDMM O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731880658 1201507031 /nfs/dbraw/zinc/50/70/31/1201507031.db2.gz UJSIOLQXAJSDKA-CQSZACIVSA-N -1 1 389.372 0.158 20 5 GCBDMM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000770621871 1202105941 /nfs/dbraw/zinc/10/59/41/1202105941.db2.gz LTJGTQXUTSDAOG-LBPRGKRZSA-N -1 1 395.416 0.976 20 5 GCBDMM O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000787903248 1205406326 /nfs/dbraw/zinc/40/63/26/1205406326.db2.gz SBXPYADYXLKRHR-STQMWFEESA-N -1 1 389.397 0.918 20 5 GCBDMM Cc1cc(C(=O)NCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000789924179 1205451726 /nfs/dbraw/zinc/45/17/26/1205451726.db2.gz VRNSPLLNIGOURF-GFCCVEGCSA-N -1 1 391.413 0.463 20 5 GCBDMM NC(=O)c1ccnc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000811855974 1205658636 /nfs/dbraw/zinc/65/86/36/1205658636.db2.gz CMCOIYYIHUHFFL-QMMMGPOBSA-N -1 1 375.307 0.984 20 5 GCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCC[N-]C(=O)C(F)(F)F ZINC000774885251 1205923014 /nfs/dbraw/zinc/92/30/14/1205923014.db2.gz UTPZNRXLZFRIPJ-UHFFFAOYSA-N -1 1 377.275 0.936 20 5 GCBDMM CCOC(=O)c1cnn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825569836 947226974 /nfs/dbraw/zinc/22/69/74/947226974.db2.gz AVSJQBFOJCRPLD-UHFFFAOYSA-N -1 1 386.328 0.295 20 5 GCBDMM CCOC(=O)c1cnn(CC(=O)Nc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825570246 947228357 /nfs/dbraw/zinc/22/83/57/947228357.db2.gz GQBPHWPOEZLNEQ-UHFFFAOYSA-N -1 1 386.328 0.787 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000825930799 947375802 /nfs/dbraw/zinc/37/58/02/947375802.db2.gz ZYANHISNVHVQNV-UHFFFAOYSA-N -1 1 386.376 0.367 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000825930799 947375814 /nfs/dbraw/zinc/37/58/14/947375814.db2.gz ZYANHISNVHVQNV-UHFFFAOYSA-N -1 1 386.376 0.367 20 5 GCBDMM C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001573640885 947854241 /nfs/dbraw/zinc/85/42/41/947854241.db2.gz JRLQXYMCQUOGME-LBPRGKRZSA-N -1 1 397.399 0.881 20 5 GCBDMM C[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001573640884 947854390 /nfs/dbraw/zinc/85/43/90/947854390.db2.gz JRLQXYMCQUOGME-GFCCVEGCSA-N -1 1 397.399 0.881 20 5 GCBDMM C[C@@](CO)(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC001575178895 952408547 /nfs/dbraw/zinc/40/85/47/952408547.db2.gz QKWGMOFLLWYMMA-KRWDZBQOSA-N -1 1 383.368 0.736 20 5 GCBDMM C[C@@](CO)(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC001575178895 952408553 /nfs/dbraw/zinc/40/85/53/952408553.db2.gz QKWGMOFLLWYMMA-KRWDZBQOSA-N -1 1 383.368 0.736 20 5 GCBDMM CCc1n[nH]c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC001593625704 953549444 /nfs/dbraw/zinc/54/94/44/953549444.db2.gz PWBSGWIGRQXHIQ-SECBINFHSA-N -1 1 379.373 0.418 20 5 GCBDMM O=C([O-])[C@]1(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC001330255662 961340596 /nfs/dbraw/zinc/34/05/96/961340596.db2.gz WIAIIXSQXOPREM-PXPSOEEZSA-N -1 1 375.381 0.996 20 5 GCBDMM CC(C)c1n[nH]c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC001588963813 962640693 /nfs/dbraw/zinc/64/06/93/962640693.db2.gz WCHJLAYSCHCPCD-JTQLQIEISA-N -1 1 393.400 0.979 20 5 GCBDMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000852958357 969303220 /nfs/dbraw/zinc/30/32/20/969303220.db2.gz JYGLYRMSGJGKJQ-RCOVLWMOSA-N -1 1 378.263 0.659 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@@](C)(O)C(=O)[O-])c2)CC1 ZINC001604227353 972724601 /nfs/dbraw/zinc/72/46/01/972724601.db2.gz BYNLZBDJPGZWTO-MRXNPFEDSA-N -1 1 381.389 0.304 20 5 GCBDMM COc1ccc(NC(=O)[C@@H](C)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001604809983 974049194 /nfs/dbraw/zinc/04/91/94/974049194.db2.gz VNCDRSKWUUTEOM-RLFDGXBXSA-N -1 1 379.369 0.963 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001604834160 974076952 /nfs/dbraw/zinc/07/69/52/974076952.db2.gz PCFVUTMVBPGCOH-RLFDGXBXSA-N -1 1 379.369 0.963 20 5 GCBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000600874670 975010003 /nfs/dbraw/zinc/01/00/03/975010003.db2.gz MFCHFEXVJVGJIT-UHFFFAOYSA-N -1 1 379.369 0.987 20 5 GCBDMM COc1ccc(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-] ZINC001118913455 982967119 /nfs/dbraw/zinc/96/71/19/982967119.db2.gz HWXVJFPRCSCCFG-SFHVURJKSA-N -1 1 393.396 0.534 20 5 GCBDMM CN(C(=O)CNC1(CC(=O)[O-])CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001598025205 990234700 /nfs/dbraw/zinc/23/47/00/990234700.db2.gz OPQKMKSZUBNJFM-UHFFFAOYSA-N -1 1 399.425 0.569 20 5 GCBDMM COc1cccc(C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599671250 994816739 /nfs/dbraw/zinc/81/67/39/994816739.db2.gz DCHHKFXEEZEEFF-LBPRGKRZSA-N -1 1 381.366 0.973 20 5 GCBDMM CC1(C)CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1CCO ZINC001593948010 997008733 /nfs/dbraw/zinc/00/87/33/997008733.db2.gz ZPBNRUSJNCHOCQ-UHFFFAOYSA-N -1 1 380.401 0.302 20 5 GCBDMM CCCc1[nH]nc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-] ZINC000265676943 530122212 /nfs/dbraw/zinc/12/22/12/530122212.db2.gz UTIFGCSCFZANCS-UHFFFAOYSA-N -1 1 375.392 0.746 20 5 GCBDMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038105204 530150661 /nfs/dbraw/zinc/15/06/61/530150661.db2.gz IUDSRYPZPKVHMB-SSDOTTSWSA-N -1 1 383.176 0.170 20 5 GCBDMM COC(=O)COCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599447363 530163387 /nfs/dbraw/zinc/16/33/87/530163387.db2.gz XRBCGMLPAPVKQU-UHFFFAOYSA-N -1 1 397.203 0.825 20 5 GCBDMM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000147298714 530291928 /nfs/dbraw/zinc/29/19/28/530291928.db2.gz WQSSXHMFXQUUNE-VIFPVBQESA-N -1 1 381.407 0.436 20 5 GCBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000264043631 530257195 /nfs/dbraw/zinc/25/71/95/530257195.db2.gz FUEMHGCDCWLLRK-QMMMGPOBSA-N -1 1 399.244 0.823 20 5 GCBDMM O=C1CN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1 ZINC000289677053 530266193 /nfs/dbraw/zinc/26/61/93/530266193.db2.gz CIOVPZJCOLWKIV-UHFFFAOYSA-N -1 1 380.785 0.097 20 5 GCBDMM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000264174367 530330100 /nfs/dbraw/zinc/33/01/00/530330100.db2.gz INPIITOMEISBBO-UHFFFAOYSA-N -1 1 390.849 0.691 20 5 GCBDMM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289957807 530297064 /nfs/dbraw/zinc/29/70/64/530297064.db2.gz QOKROHCRZRRSNV-UHFFFAOYSA-N -1 1 389.814 0.557 20 5 GCBDMM O=C1CN(CCC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCN1 ZINC000290328626 530359877 /nfs/dbraw/zinc/35/98/77/530359877.db2.gz ANRGTFIGXQTZNX-UHFFFAOYSA-N -1 1 394.812 0.488 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCn2cc(CO)nn2)cc1Cl ZINC000290286256 530353360 /nfs/dbraw/zinc/35/33/60/530353360.db2.gz WBPNUQWXQGMXJX-UHFFFAOYSA-N -1 1 393.784 0.840 20 5 GCBDMM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290768111 530388702 /nfs/dbraw/zinc/38/87/02/530388702.db2.gz ODUXBQUGPXULOM-UHFFFAOYSA-N -1 1 380.741 0.217 20 5 GCBDMM NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064240822 530786381 /nfs/dbraw/zinc/78/63/81/530786381.db2.gz OBZZWDWNXJHBMV-UHFFFAOYSA-N -1 1 391.452 0.825 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445032890 530801678 /nfs/dbraw/zinc/80/16/78/530801678.db2.gz KWGWDZSRCAXPGI-IUCAKERBSA-N -1 1 383.473 0.795 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445032875 530801824 /nfs/dbraw/zinc/80/18/24/530801824.db2.gz KWGWDZSRCAXPGI-BDAKNGLRSA-N -1 1 383.473 0.795 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCOCC2CCOCC2)c([N+](=O)[O-])n1 ZINC000532854965 530899324 /nfs/dbraw/zinc/89/93/24/530899324.db2.gz POSAGSAOQUACHK-UHFFFAOYSA-N -1 1 376.435 0.923 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000533175729 530900612 /nfs/dbraw/zinc/90/06/12/530900612.db2.gz PGFACZLIXPSJPM-SECBINFHSA-N -1 1 385.368 0.974 20 5 GCBDMM CCO[C@@H]1C[C@@](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000600653828 530931392 /nfs/dbraw/zinc/93/13/92/530931392.db2.gz OMPDNEHUXTVCNR-NOZJJQNGSA-N -1 1 376.391 0.265 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000468998232 530918149 /nfs/dbraw/zinc/91/81/49/530918149.db2.gz LRKGAIMHFCXMDG-UHFFFAOYSA-N -1 1 392.440 0.835 20 5 GCBDMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000283651882 530925127 /nfs/dbraw/zinc/92/51/27/530925127.db2.gz YKSYELFTJLLJRB-ZETCQYMHSA-N -1 1 392.187 0.393 20 5 GCBDMM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000474397117 530925490 /nfs/dbraw/zinc/92/54/90/530925490.db2.gz PBNGZBDZDVWIGW-FZMZJTMJSA-N -1 1 376.435 0.656 20 5 GCBDMM COC(=O)c1cn(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1 ZINC000284756845 530925930 /nfs/dbraw/zinc/92/59/30/530925930.db2.gz UWAVJGNEULILIY-UHFFFAOYSA-N -1 1 389.777 0.605 20 5 GCBDMM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299345889 530927640 /nfs/dbraw/zinc/92/76/40/530927640.db2.gz ARWDQBZCMOSAHI-UHFFFAOYSA-N -1 1 385.851 0.854 20 5 GCBDMM Cn1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000507888705 530942014 /nfs/dbraw/zinc/94/20/14/530942014.db2.gz MTOACJRDSWRSSY-UHFFFAOYSA-N -1 1 376.192 0.964 20 5 GCBDMM O=C1CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000272166806 530954611 /nfs/dbraw/zinc/95/46/11/530954611.db2.gz GZBOVOCIXHAALA-UHFFFAOYSA-N -1 1 376.822 0.348 20 5 GCBDMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611407820 530990357 /nfs/dbraw/zinc/99/03/57/530990357.db2.gz CBPFQCFWHVJMEC-SSDOTTSWSA-N -1 1 383.176 0.170 20 5 GCBDMM CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039779 531131003 /nfs/dbraw/zinc/13/10/03/531131003.db2.gz MPIMCNNMTQNXMT-UHFFFAOYSA-N -1 1 387.233 0.680 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737117509 598261039 /nfs/dbraw/zinc/26/10/39/598261039.db2.gz XILFNISLYODELB-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737117509 598261041 /nfs/dbraw/zinc/26/10/41/598261041.db2.gz XILFNISLYODELB-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM O=C(C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)N1CCOCC1 ZINC000826399023 607450442 /nfs/dbraw/zinc/45/04/42/607450442.db2.gz KOPLFGFMLSEOIS-UHFFFAOYSA-N -1 1 387.400 0.850 20 5 GCBDMM O=C(C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)N1CCOCC1 ZINC000826399023 607450443 /nfs/dbraw/zinc/45/04/43/607450443.db2.gz KOPLFGFMLSEOIS-UHFFFAOYSA-N -1 1 387.400 0.850 20 5 GCBDMM CC[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000829163342 600812574 /nfs/dbraw/zinc/81/25/74/600812574.db2.gz XEZCHZWXKVBSQF-CQSZACIVSA-N -1 1 394.428 0.956 20 5 GCBDMM CC[C@H](CO)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828890777 600824581 /nfs/dbraw/zinc/82/45/81/600824581.db2.gz LZVIUKVUTCLRST-TZMCWYRMSA-N -1 1 394.428 0.691 20 5 GCBDMM CC[C@@H](CO)N1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828890776 600824645 /nfs/dbraw/zinc/82/46/45/600824645.db2.gz LZVIUKVUTCLRST-OCCSQVGLSA-N -1 1 394.428 0.691 20 5 GCBDMM CC[C@H](CO)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828890774 600824793 /nfs/dbraw/zinc/82/47/93/600824793.db2.gz LZVIUKVUTCLRST-GXTWGEPZSA-N -1 1 394.428 0.691 20 5 GCBDMM CC(C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824309619 607579745 /nfs/dbraw/zinc/57/97/45/607579745.db2.gz RXYHKOYGTPTQCS-UHFFFAOYSA-N -1 1 384.374 0.395 20 5 GCBDMM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826061016 607585152 /nfs/dbraw/zinc/58/51/52/607585152.db2.gz YJNAIVSEZVAKCX-SNVBAGLBSA-N -1 1 395.401 0.064 20 5 GCBDMM Cc1cc(C(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826259369 607593993 /nfs/dbraw/zinc/59/39/93/607593993.db2.gz PXQWSNRBIUBDPW-UHFFFAOYSA-N -1 1 397.351 0.952 20 5 GCBDMM Cc1cc(C(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826259369 607593995 /nfs/dbraw/zinc/59/39/95/607593995.db2.gz PXQWSNRBIUBDPW-UHFFFAOYSA-N -1 1 397.351 0.952 20 5 GCBDMM CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825512091 607597656 /nfs/dbraw/zinc/59/76/56/607597656.db2.gz SSWMFNBABNNUAJ-UHFFFAOYSA-N -1 1 396.385 0.491 20 5 GCBDMM Cc1noc(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826339197 607597957 /nfs/dbraw/zinc/59/79/57/607597957.db2.gz VMYRORCDURGGGN-UHFFFAOYSA-N -1 1 379.358 0.858 20 5 GCBDMM CC(C)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1=O ZINC000824295928 607615809 /nfs/dbraw/zinc/61/58/09/607615809.db2.gz BTZRITDCCPJUMF-VIFPVBQESA-N -1 1 395.401 0.063 20 5 GCBDMM CC(C)(C)OC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824099896 607616228 /nfs/dbraw/zinc/61/62/28/607616228.db2.gz LQTZTGORRXDFHB-UHFFFAOYSA-N -1 1 384.374 0.395 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1-c1nn[n-]n1 ZINC000826500052 607629119 /nfs/dbraw/zinc/62/91/19/607629119.db2.gz JLYAYGJPONRARQ-UHFFFAOYSA-N -1 1 382.402 0.748 20 5 GCBDMM CC(C)(C)C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824085521 607637502 /nfs/dbraw/zinc/63/75/02/607637502.db2.gz FLNCXISFGLVNIW-VIFPVBQESA-N -1 1 384.418 0.850 20 5 GCBDMM CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825089311 607657253 /nfs/dbraw/zinc/65/72/53/607657253.db2.gz CJIQKXZIDAARPN-ZJUUUORDSA-N -1 1 384.418 0.850 20 5 GCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCOCC1 ZINC000824640427 607673424 /nfs/dbraw/zinc/67/34/24/607673424.db2.gz IMBNXNVSBMQYPU-VIFPVBQESA-N -1 1 382.402 0.868 20 5 GCBDMM O=C([O-])[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000833166792 604996973 /nfs/dbraw/zinc/99/69/73/604996973.db2.gz UQXYAWLSDIOLQF-CQSZACIVSA-N -1 1 380.382 0.684 20 5 GCBDMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000833164491 604998236 /nfs/dbraw/zinc/99/82/36/604998236.db2.gz ACLKDPHGRLRLLU-AWEZNQCLSA-N -1 1 380.382 0.684 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000822609566 606165676 /nfs/dbraw/zinc/16/56/76/606165676.db2.gz QGLHSAMPYZXZEU-UHFFFAOYSA-N -1 1 398.387 0.863 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000822609566 606165678 /nfs/dbraw/zinc/16/56/78/606165678.db2.gz QGLHSAMPYZXZEU-UHFFFAOYSA-N -1 1 398.387 0.863 20 5 GCBDMM CCCS(=O)(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821139115 606697835 /nfs/dbraw/zinc/69/78/35/606697835.db2.gz OQHWPVHNKUEBMO-UHFFFAOYSA-N -1 1 396.433 0.786 20 5 GCBDMM CCCS(=O)(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821139115 606697836 /nfs/dbraw/zinc/69/78/36/606697836.db2.gz OQHWPVHNKUEBMO-UHFFFAOYSA-N -1 1 396.433 0.786 20 5 GCBDMM COc1ccnc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000821904098 606701241 /nfs/dbraw/zinc/70/12/41/606701241.db2.gz PXHACLHTIHXNQB-UHFFFAOYSA-N -1 1 384.360 0.295 20 5 GCBDMM COc1ccnc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821904098 606701242 /nfs/dbraw/zinc/70/12/42/606701242.db2.gz PXHACLHTIHXNQB-UHFFFAOYSA-N -1 1 384.360 0.295 20 5 GCBDMM COc1cc(C)nc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000821712132 606707703 /nfs/dbraw/zinc/70/77/03/606707703.db2.gz DEQHCZSGZFLLTB-UHFFFAOYSA-N -1 1 398.387 0.604 20 5 GCBDMM COc1cc(C)nc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000821712132 606707705 /nfs/dbraw/zinc/70/77/05/606707705.db2.gz DEQHCZSGZFLLTB-UHFFFAOYSA-N -1 1 398.387 0.604 20 5 GCBDMM CCO[C@H]1C[C@H](O)C12CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821358415 606712434 /nfs/dbraw/zinc/71/24/34/606712434.db2.gz ISSGMIWOCBRLSH-RYUDHWBXSA-N -1 1 375.389 0.926 20 5 GCBDMM CCO[C@H]1C[C@H](O)C12CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821358415 606712437 /nfs/dbraw/zinc/71/24/37/606712437.db2.gz ISSGMIWOCBRLSH-RYUDHWBXSA-N -1 1 375.389 0.926 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821933243 606719735 /nfs/dbraw/zinc/71/97/35/606719735.db2.gz YKJDHJLDDAMJKP-PSASIEDQSA-N -1 1 382.406 0.300 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821933243 606719736 /nfs/dbraw/zinc/71/97/36/606719736.db2.gz YKJDHJLDDAMJKP-PSASIEDQSA-N -1 1 382.406 0.300 20 5 GCBDMM COCCN(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821689004 606732994 /nfs/dbraw/zinc/73/29/94/606732994.db2.gz HMGRHOLASHGYHR-UHFFFAOYSA-N -1 1 392.344 0.677 20 5 GCBDMM CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCO1 ZINC000820607744 606734426 /nfs/dbraw/zinc/73/44/26/606734426.db2.gz YUCZUDWIRQKZKH-UHFFFAOYSA-N -1 1 382.402 0.965 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000823646949 606737271 /nfs/dbraw/zinc/73/72/71/606737271.db2.gz DQNBFOFPCMORNC-AWEZNQCLSA-N -1 1 380.386 0.576 20 5 GCBDMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000822207264 606807846 /nfs/dbraw/zinc/80/78/46/606807846.db2.gz PXEHIIPXWLXECR-NSHDSACASA-N -1 1 382.388 0.983 20 5 GCBDMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000822207264 606807848 /nfs/dbraw/zinc/80/78/48/606807848.db2.gz PXEHIIPXWLXECR-NSHDSACASA-N -1 1 382.388 0.983 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000820788974 606818594 /nfs/dbraw/zinc/81/85/94/606818594.db2.gz SKPIXDFBHYTDMT-VIFPVBQESA-N -1 1 385.344 0.509 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000820788974 606818596 /nfs/dbraw/zinc/81/85/96/606818596.db2.gz SKPIXDFBHYTDMT-VIFPVBQESA-N -1 1 385.344 0.509 20 5 GCBDMM C[C@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOC1(C)C ZINC000820819098 606873161 /nfs/dbraw/zinc/87/31/61/606873161.db2.gz DYWFWNWSGDXFQN-SECBINFHSA-N -1 1 382.402 0.963 20 5 GCBDMM Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(=O)n(C)c1 ZINC000822210936 607004563 /nfs/dbraw/zinc/00/45/63/607004563.db2.gz XOEVUSNKQJRWKF-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM NS(=O)(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822895346 607161138 /nfs/dbraw/zinc/16/11/38/607161138.db2.gz PBOZSXQIIFEUKZ-UHFFFAOYSA-N -1 1 376.358 0.429 20 5 GCBDMM NS(=O)(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822895346 607161140 /nfs/dbraw/zinc/16/11/40/607161140.db2.gz PBOZSXQIIFEUKZ-UHFFFAOYSA-N -1 1 376.358 0.429 20 5 GCBDMM NS(=O)(=O)c1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822894777 607161312 /nfs/dbraw/zinc/16/13/12/607161312.db2.gz GBAPDKCKOBTHAE-UHFFFAOYSA-N -1 1 390.385 0.472 20 5 GCBDMM NS(=O)(=O)c1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822894777 607161314 /nfs/dbraw/zinc/16/13/14/607161314.db2.gz GBAPDKCKOBTHAE-UHFFFAOYSA-N -1 1 390.385 0.472 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNS(=O)(=O)c1ccccc1 ZINC000823624775 607166834 /nfs/dbraw/zinc/16/68/34/607166834.db2.gz JARPVUXJRRUGLV-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNS(=O)(=O)c1ccccc1 ZINC000823624775 607166835 /nfs/dbraw/zinc/16/68/35/607166835.db2.gz JARPVUXJRRUGLV-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM Cc1cnccc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826319438 607852972 /nfs/dbraw/zinc/85/29/72/607852972.db2.gz CPUZUCUDMDHDPC-UHFFFAOYSA-N -1 1 389.397 0.999 20 5 GCBDMM O=C([O-])C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 ZINC000826461439 608010848 /nfs/dbraw/zinc/01/08/48/608010848.db2.gz VERFFNDMFJTSDS-UHFFFAOYSA-N -1 1 382.358 0.451 20 5 GCBDMM O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826461194 608011434 /nfs/dbraw/zinc/01/14/34/608011434.db2.gz KGPZCFNMVPIFRQ-SECBINFHSA-N -1 1 396.385 0.650 20 5 GCBDMM C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(F)(F)F ZINC000824671466 608026420 /nfs/dbraw/zinc/02/64/20/608026420.db2.gz ZLSMVIVESNKUAQ-SNVBAGLBSA-N -1 1 396.307 0.367 20 5 GCBDMM C[C@]1(O)CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@](C)(O)C3)c2)C1 ZINC000824844515 608097530 /nfs/dbraw/zinc/09/75/30/608097530.db2.gz XPGHLBDGFMXBRK-IRXDYDNUSA-N -1 1 389.416 0.697 20 5 GCBDMM C[C@]1(O)CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@](C)(O)C3)c2)C1 ZINC000824844515 608097531 /nfs/dbraw/zinc/09/75/31/608097531.db2.gz XPGHLBDGFMXBRK-IRXDYDNUSA-N -1 1 389.416 0.697 20 5 GCBDMM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825247093 608239578 /nfs/dbraw/zinc/23/95/78/608239578.db2.gz ANFNPGISSRCETE-JTQLQIEISA-N -1 1 395.401 0.064 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473943 608423726 /nfs/dbraw/zinc/42/37/26/608423726.db2.gz UMVDUTCCRWFVRA-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473943 608423727 /nfs/dbraw/zinc/42/37/27/608423727.db2.gz UMVDUTCCRWFVRA-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM CO[C@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826146444 608425039 /nfs/dbraw/zinc/42/50/39/608425039.db2.gz WCJBIUHRQNVLGL-ONGXEEELSA-N -1 1 382.402 0.868 20 5 GCBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H](C)CN1C ZINC000824991429 608562943 /nfs/dbraw/zinc/56/29/43/608562943.db2.gz AWVBFZFHKUENRW-ZJUUUORDSA-N -1 1 381.418 0.488 20 5 GCBDMM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826424413 609289372 /nfs/dbraw/zinc/28/93/72/609289372.db2.gz LKJGKZBUCWZKTN-UHFFFAOYSA-N -1 1 398.318 0.935 20 5 GCBDMM CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908536 609333871 /nfs/dbraw/zinc/33/38/71/609333871.db2.gz JCDDTHOVONQTAA-ZYHUDNBSSA-N -1 1 396.429 0.947 20 5 GCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824640374 609579943 /nfs/dbraw/zinc/57/99/43/609579943.db2.gz HJLCSMVNZGFJPK-VHSXEESVSA-N -1 1 382.402 0.868 20 5 GCBDMM CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918192757 639869540 /nfs/dbraw/zinc/86/95/40/639869540.db2.gz WWYMZLXUQKJLEI-UHFFFAOYSA-N -1 1 383.423 0.730 20 5 GCBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000778067688 641146761 /nfs/dbraw/zinc/14/67/61/641146761.db2.gz JESUVPUDBRLAHY-MRVPVSSYSA-N -1 1 397.203 0.824 20 5 GCBDMM NC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1 ZINC000778085547 641147316 /nfs/dbraw/zinc/14/73/16/641147316.db2.gz ZVHMBOSSWQZMFD-UHFFFAOYSA-N -1 1 390.175 0.980 20 5 GCBDMM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795803425 641525362 /nfs/dbraw/zinc/52/53/62/641525362.db2.gz MPFXTJKMWFXIKK-YFKPBYRVSA-N -1 1 384.183 0.909 20 5 GCBDMM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012786 641816268 /nfs/dbraw/zinc/81/62/68/641816268.db2.gz MQQRXZWUHANFAW-UHFFFAOYSA-N -1 1 379.753 0.815 20 5 GCBDMM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036328 641817898 /nfs/dbraw/zinc/81/78/98/641817898.db2.gz UZTVBOHAZVRNMI-YFKPBYRVSA-N -1 1 380.741 0.296 20 5 GCBDMM Cn1cnc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000092265642 642063225 /nfs/dbraw/zinc/06/32/25/642063225.db2.gz IBYSOHWTUWVSBM-UHFFFAOYSA-N -1 1 376.192 0.964 20 5 GCBDMM COCCNC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841552470 642311807 /nfs/dbraw/zinc/31/18/07/642311807.db2.gz WQCZEARGQBOOPW-UHFFFAOYSA-N -1 1 377.806 0.822 20 5 GCBDMM NC(=O)[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1 ZINC000848501146 642543507 /nfs/dbraw/zinc/54/35/07/642543507.db2.gz FJMXIVRVTUKAAH-NSHDSACASA-N -1 1 394.203 0.280 20 5 GCBDMM NC(=O)[C@@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000848503505 642544095 /nfs/dbraw/zinc/54/40/95/642544095.db2.gz GUCNXOSBSBWQJE-LLVKDONJSA-N -1 1 384.197 0.824 20 5 GCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000849395608 642641429 /nfs/dbraw/zinc/64/14/29/642641429.db2.gz HFIQGCFFOOIOCB-NSHDSACASA-N -1 1 384.819 0.076 20 5 GCBDMM CO[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001671645402 1192221413 /nfs/dbraw/zinc/22/14/13/1192221413.db2.gz UVWWDAZAZMMXAR-LBPRGKRZSA-N -1 1 398.846 0.730 20 5 GCBDMM Cn1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500584516 1192657582 /nfs/dbraw/zinc/65/75/82/1192657582.db2.gz AFFLLRIBJDOABS-UHFFFAOYSA-N -1 1 391.369 0.769 20 5 GCBDMM Cn1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500584516 1192657586 /nfs/dbraw/zinc/65/75/86/1192657586.db2.gz AFFLLRIBJDOABS-UHFFFAOYSA-N -1 1 391.369 0.769 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c([N+](=O)[O-])n1 ZINC000573640062 1192910064 /nfs/dbraw/zinc/91/00/64/1192910064.db2.gz NSOSPSKEWHVVQC-JHJVBQTASA-N -1 1 385.446 0.737 20 5 GCBDMM O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1)Nc1ccccc1 ZINC000023496439 1184478277 /nfs/dbraw/zinc/47/82/77/1184478277.db2.gz QGIWYIBDAIYOSA-UHFFFAOYSA-N -1 1 385.380 0.680 20 5 GCBDMM NC(=O)c1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610263803 1184639709 /nfs/dbraw/zinc/63/97/09/1184639709.db2.gz CHWJUWLMBZNSTP-LLVKDONJSA-N -1 1 391.409 0.646 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)N2CCOCC2)c([N+](=O)[O-])n1 ZINC000435800266 1194966124 /nfs/dbraw/zinc/96/61/24/1194966124.db2.gz SCGPRDAUQXPBDJ-ZDUSSCGKSA-N -1 1 389.478 0.836 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000435805736 1194966372 /nfs/dbraw/zinc/96/63/72/1194966372.db2.gz CHELECNJFGFQNX-TXEJJXNPSA-N -1 1 389.478 0.977 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000435805733 1194966636 /nfs/dbraw/zinc/96/66/36/1194966636.db2.gz CHELECNJFGFQNX-RYUDHWBXSA-N -1 1 389.478 0.977 20 5 GCBDMM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000516802628 1195099597 /nfs/dbraw/zinc/09/95/97/1195099597.db2.gz JREMADXBMRNIMA-JTQLQIEISA-N -1 1 377.309 0.594 20 5 GCBDMM CN(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC000438508245 1195223902 /nfs/dbraw/zinc/22/39/02/1195223902.db2.gz LQYFUKYGRCSJPV-UHFFFAOYSA-N -1 1 398.372 0.885 20 5 GCBDMM COCCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cn1 ZINC000281863762 1196342438 /nfs/dbraw/zinc/34/24/38/1196342438.db2.gz CAVZXKKNFOZVGD-UHFFFAOYSA-N -1 1 398.397 0.703 20 5 GCBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000444238960 1196367216 /nfs/dbraw/zinc/36/72/16/1196367216.db2.gz BNOBENXWELROHM-UHFFFAOYSA-N -1 1 399.367 0.961 20 5 GCBDMM COC(=O)c1cn(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)nn1 ZINC000445157384 1196554669 /nfs/dbraw/zinc/55/46/69/1196554669.db2.gz INQFRRJSKJDMSI-UHFFFAOYSA-N -1 1 376.329 0.551 20 5 GCBDMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000021634746 1196574562 /nfs/dbraw/zinc/57/45/62/1196574562.db2.gz JBOQPVVOZVOCEM-UHFFFAOYSA-N -1 1 380.382 0.463 20 5 GCBDMM O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1)NCc1ccccc1 ZINC000021632347 1196574575 /nfs/dbraw/zinc/57/45/75/1196574575.db2.gz AIIAUAWKFGMPMQ-UHFFFAOYSA-N -1 1 399.407 0.357 20 5 GCBDMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000428417595 1196588513 /nfs/dbraw/zinc/58/85/13/1196588513.db2.gz CZWXGIPKDBSWGO-LBPRGKRZSA-N -1 1 397.413 0.659 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)nc1 ZINC000525697842 1196701555 /nfs/dbraw/zinc/70/15/55/1196701555.db2.gz PEUGEPRCBGNHMS-UHFFFAOYSA-N -1 1 379.398 0.700 20 5 GCBDMM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793618 1197412468 /nfs/dbraw/zinc/41/24/68/1197412468.db2.gz JGMBAFNJKFGUEC-VIFPVBQESA-N -1 1 393.791 0.897 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C(=O)OC)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000532853522 1197415504 /nfs/dbraw/zinc/41/55/04/1197415504.db2.gz FOIYTTZUXMAWFS-NSHDSACASA-N -1 1 390.418 0.305 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc(C(=O)OC)cc2)c([N+](=O)[O-])n1 ZINC000532854307 1197415983 /nfs/dbraw/zinc/41/59/83/1197415983.db2.gz RJDMHNIFZZPFOM-UHFFFAOYSA-N -1 1 398.397 0.955 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)OC)c2)c([N+](=O)[O-])n1 ZINC000533174961 1197436012 /nfs/dbraw/zinc/43/60/12/1197436012.db2.gz TUNYDPRINIXAJE-UHFFFAOYSA-N -1 1 398.397 0.842 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])n1 ZINC000533179015 1197436203 /nfs/dbraw/zinc/43/62/03/1197436203.db2.gz PSANSVAMHCIGTH-UHFFFAOYSA-N -1 1 397.413 0.528 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2=O)c([N+](=O)[O-])n1 ZINC000466737172 1201067850 /nfs/dbraw/zinc/06/78/50/1201067850.db2.gz DLYFEYSHQNMNBN-UHFFFAOYSA-N -1 1 393.425 0.788 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)OC)c([N+](=O)[O-])n1 ZINC000611104581 1201215405 /nfs/dbraw/zinc/21/54/05/1201215405.db2.gz RPQRKGWKXHRBLW-LBPRGKRZSA-N -1 1 382.398 0.874 20 5 GCBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769832700 1202075062 /nfs/dbraw/zinc/07/50/62/1202075062.db2.gz NQBONONFPNWMHR-UHFFFAOYSA-N -1 1 393.385 0.845 20 5 GCBDMM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770206024 1202090567 /nfs/dbraw/zinc/09/05/67/1202090567.db2.gz RTIRJCUSOSIEKB-UHFFFAOYSA-N -1 1 380.382 0.545 20 5 GCBDMM Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccnc1-2 ZINC000791167009 1205474480 /nfs/dbraw/zinc/47/44/80/1205474480.db2.gz MWXYMOHGCDTVDG-UHFFFAOYSA-N -1 1 375.366 0.906 20 5 GCBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc([N+](=O)[O-])cc(Br)[n+]3[O-])c2[nH]1 ZINC001170216799 1205489468 /nfs/dbraw/zinc/48/94/68/1205489468.db2.gz AUNVECUDTFKLFH-UHFFFAOYSA-N -1 1 384.106 0.763 20 5 GCBDMM O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC001175930521 1205742505 /nfs/dbraw/zinc/74/25/05/1205742505.db2.gz AHHXLDYFLVYDNC-AWEZNQCLSA-N -1 1 378.429 0.827 20 5 GCBDMM CCc1n[nH]c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC001593625705 953548966 /nfs/dbraw/zinc/54/89/66/953548966.db2.gz PWBSGWIGRQXHIQ-VIFPVBQESA-N -1 1 379.373 0.418 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@]3(C(=O)[O-])CCOC3)c2)CC1 ZINC001593787221 954720317 /nfs/dbraw/zinc/72/03/17/954720317.db2.gz UZOGZSYKWCDRBP-QGZVFWFLSA-N -1 1 393.400 0.712 20 5 GCBDMM O=C([O-])[C@]12CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2 ZINC001349615739 962481407 /nfs/dbraw/zinc/48/14/07/962481407.db2.gz WVHVFRXYNWZOHT-BLLLJJGKSA-N -1 1 384.410 0.792 20 5 GCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704146 969286654 /nfs/dbraw/zinc/28/66/54/969286654.db2.gz SWZIGIUWAAKMJZ-SVRRBLITSA-N -1 1 393.278 0.065 20 5 GCBDMM COc1ccc(NC(=O)[C@H](C)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001604809981 974048897 /nfs/dbraw/zinc/04/88/97/974048897.db2.gz VNCDRSKWUUTEOM-DINDLPBHSA-N -1 1 379.369 0.963 20 5 GCBDMM CC(C)c1n[nH]c(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1[N+](=O)[O-] ZINC001591921497 976395217 /nfs/dbraw/zinc/39/52/17/976395217.db2.gz YOIPCFCMHPOHQT-MRXNPFEDSA-N -1 1 381.389 0.443 20 5 GCBDMM C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])N1CCN(C)CC1 ZINC001592722463 979224874 /nfs/dbraw/zinc/22/48/74/979224874.db2.gz MFYXONVPZNATMM-NSHDSACASA-N -1 1 386.430 0.207 20 5 GCBDMM CN1CCN(CCN(CC(=O)[O-])Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC001598617117 993906772 /nfs/dbraw/zinc/90/67/72/993906772.db2.gz ONMSGRZVHINVBX-UHFFFAOYSA-N -1 1 376.417 0.536 20 5 GCBDMM COc1c(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001599328587 997708165 /nfs/dbraw/zinc/70/81/65/997708165.db2.gz LIOIPUFCHLVFKJ-UHFFFAOYSA-N -1 1 380.401 0.378 20 5 GCBDMM C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1CCC(=O)[O-] ZINC001594470181 999700761 /nfs/dbraw/zinc/70/07/61/999700761.db2.gz DQHNUPYJFZAPPF-GFCCVEGCSA-N -1 1 375.385 0.952 20 5 GCBDMM COC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285576290 530118309 /nfs/dbraw/zinc/11/83/09/530118309.db2.gz JZVRXLMJIUQUNR-LURJTMIESA-N -1 1 387.183 0.782 20 5 GCBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000437341832 530123566 /nfs/dbraw/zinc/12/35/66/530123566.db2.gz XMELPNHQNJQDOO-LBPRGKRZSA-N -1 1 377.444 0.818 20 5 GCBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000609465848 530137088 /nfs/dbraw/zinc/13/70/88/530137088.db2.gz GACNQLYNKDSKFP-UHFFFAOYSA-N -1 1 385.851 0.854 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC000286450407 530139982 /nfs/dbraw/zinc/13/99/82/530139982.db2.gz OAXJVEAZUOHNLX-LLVKDONJSA-N -1 1 399.194 0.926 20 5 GCBDMM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451740421 530256334 /nfs/dbraw/zinc/25/63/34/530256334.db2.gz LVVWWPVEPINSJP-MRVPVSSYSA-N -1 1 385.851 0.854 20 5 GCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000564741247 530351184 /nfs/dbraw/zinc/35/11/84/530351184.db2.gz SNCSKBQYCWHTGP-NSHDSACASA-N -1 1 384.819 0.076 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)cc1Cl ZINC000290766932 530388400 /nfs/dbraw/zinc/38/84/00/530388400.db2.gz NZUTUGODLVOKMO-SECBINFHSA-N -1 1 378.813 0.665 20 5 GCBDMM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000290853839 530456343 /nfs/dbraw/zinc/45/63/43/530456343.db2.gz WTUGEOSBPWVQHV-LDWIPMOCSA-N -1 1 381.769 0.699 20 5 GCBDMM CCn1c(C)nc([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000588827401 530655767 /nfs/dbraw/zinc/65/57/67/530655767.db2.gz NSMMRPUTMVIHNR-UHFFFAOYSA-N -1 1 390.447 0.981 20 5 GCBDMM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O ZINC000160482502 530736353 /nfs/dbraw/zinc/73/63/53/530736353.db2.gz HGUONANHUJALAE-QMMMGPOBSA-N -1 1 378.204 0.866 20 5 GCBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000029966602 530774747 /nfs/dbraw/zinc/77/47/47/530774747.db2.gz ZOZFIEHXRQCOFZ-MRVPVSSYSA-N -1 1 380.762 0.631 20 5 GCBDMM O=C1NCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000330534218 530800599 /nfs/dbraw/zinc/80/05/99/530800599.db2.gz OPDPWCRHKCGGDG-MRVPVSSYSA-N -1 1 378.204 0.914 20 5 GCBDMM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445143726 530804663 /nfs/dbraw/zinc/80/46/63/530804663.db2.gz JQWOWRMSLGQXRM-VIFPVBQESA-N -1 1 387.395 0.322 20 5 GCBDMM COCCNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000298836514 530846510 /nfs/dbraw/zinc/84/65/10/530846510.db2.gz ZAYYCIAFPSMIOH-UHFFFAOYSA-N -1 1 396.219 0.398 20 5 GCBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H](C)O ZINC000275801954 530909467 /nfs/dbraw/zinc/90/94/67/530909467.db2.gz PMWHPDLJIWQRBK-WKEGUHRASA-N -1 1 397.203 0.558 20 5 GCBDMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594826597 530886300 /nfs/dbraw/zinc/88/63/00/530886300.db2.gz JQCGUSQFPHFCQA-PSASIEDQSA-N -1 1 384.819 0.339 20 5 GCBDMM CC(=O)NCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277742159 530914478 /nfs/dbraw/zinc/91/44/78/530914478.db2.gz INNWLKPHZMWXNK-UHFFFAOYSA-N -1 1 384.183 0.911 20 5 GCBDMM O=[N+]([O-])c1cc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1-c1nn[n-]n1 ZINC000823635308 607345745 /nfs/dbraw/zinc/34/57/45/607345745.db2.gz VFYIFUMDTALQHJ-LBPRGKRZSA-N -1 1 393.429 0.084 20 5 GCBDMM O=Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000738314507 598259129 /nfs/dbraw/zinc/25/91/29/598259129.db2.gz UKRZIAPQNUVJKY-UHFFFAOYSA-N -1 1 376.310 0.750 20 5 GCBDMM O=Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000738314507 598259130 /nfs/dbraw/zinc/25/91/30/598259130.db2.gz UKRZIAPQNUVJKY-UHFFFAOYSA-N -1 1 376.310 0.750 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738270939 598344908 /nfs/dbraw/zinc/34/49/08/598344908.db2.gz QUTJPYXDVVKWCU-UHFFFAOYSA-N -1 1 387.385 0.589 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738270939 598344910 /nfs/dbraw/zinc/34/49/10/598344910.db2.gz QUTJPYXDVVKWCU-UHFFFAOYSA-N -1 1 387.385 0.589 20 5 GCBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738259228 599388624 /nfs/dbraw/zinc/38/86/24/599388624.db2.gz OPCHJAVNKYZDSA-NSHDSACASA-N -1 1 381.356 0.892 20 5 GCBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738259228 599388627 /nfs/dbraw/zinc/38/86/27/599388627.db2.gz OPCHJAVNKYZDSA-NSHDSACASA-N -1 1 381.356 0.892 20 5 GCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738366668 599418035 /nfs/dbraw/zinc/41/80/35/599418035.db2.gz GZZMJAYMMYPRRZ-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738366668 599418036 /nfs/dbraw/zinc/41/80/36/599418036.db2.gz GZZMJAYMMYPRRZ-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM Cn1ccnc1[C@H](O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822699375 607388034 /nfs/dbraw/zinc/38/80/34/607388034.db2.gz YPGKVPRQHOMXFW-CYBMUJFWSA-N -1 1 385.388 0.853 20 5 GCBDMM Cn1ccnc1[C@H](O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822699375 607388036 /nfs/dbraw/zinc/38/80/36/607388036.db2.gz YPGKVPRQHOMXFW-CYBMUJFWSA-N -1 1 385.388 0.853 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N[C@@H](C)CN2CCN(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736584614 600008556 /nfs/dbraw/zinc/00/85/56/600008556.db2.gz DTYXGAGJIXXHOM-QWHCGFSZSA-N -1 1 393.444 0.846 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N2CCN(CC(C)(C)O)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657419 600208279 /nfs/dbraw/zinc/20/82/79/600208279.db2.gz RGEPNGJWFXIRHQ-GFCCVEGCSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(NC[C@@H](C)N2CCN(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655487 600432933 /nfs/dbraw/zinc/43/29/33/600432933.db2.gz DGCWSDZBFYKOMG-CHWSQXEVSA-N -1 1 393.444 0.846 20 5 GCBDMM C[C@H](CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000736607043 600433032 /nfs/dbraw/zinc/43/30/32/600433032.db2.gz NXOMTOLZYSBFQA-GFCCVEGCSA-N -1 1 379.417 0.457 20 5 GCBDMM CCN(CC)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825406382 607449679 /nfs/dbraw/zinc/44/96/79/607449679.db2.gz MIZDNPFXKNRZFN-UHFFFAOYSA-N -1 1 388.432 0.765 20 5 GCBDMM NC(=O)c1cccnc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826393927 607452504 /nfs/dbraw/zinc/45/25/04/607452504.db2.gz PGUQCTDLFNMGSY-UHFFFAOYSA-N -1 1 395.383 0.595 20 5 GCBDMM NC(=O)c1cccnc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826393927 607452506 /nfs/dbraw/zinc/45/25/06/607452506.db2.gz PGUQCTDLFNMGSY-UHFFFAOYSA-N -1 1 395.383 0.595 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655148 600560327 /nfs/dbraw/zinc/56/03/27/600560327.db2.gz CDWQPHKAPLXRET-LBPRGKRZSA-N -1 1 380.401 0.302 20 5 GCBDMM C[C@@H](O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000827802239 600812825 /nfs/dbraw/zinc/81/28/25/600812825.db2.gz FDICLYUJVPDAPI-NWDGAFQWSA-N -1 1 380.401 0.301 20 5 GCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000827374860 601104370 /nfs/dbraw/zinc/10/43/70/601104370.db2.gz NKKABFFKYHPSEW-GFCCVEGCSA-N -1 1 388.384 0.797 20 5 GCBDMM O=C([O-])C1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC000833175535 601808515 /nfs/dbraw/zinc/80/85/15/601808515.db2.gz GJSUXJYDLIEZNW-UHFFFAOYSA-N -1 1 396.374 0.044 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccccn2)c1-c1nn[n-]n1 ZINC000826500487 607575013 /nfs/dbraw/zinc/57/50/13/607575013.db2.gz ZTYGLLYVLCXDLQ-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826133017 607581618 /nfs/dbraw/zinc/58/16/18/607581618.db2.gz IIPCKJVXRBIYOR-SECBINFHSA-N -1 1 382.358 0.101 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cccnc2)c1-c1nn[n-]n1 ZINC000826499970 607582840 /nfs/dbraw/zinc/58/28/40/607582840.db2.gz GRPSFPHQISLNFF-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824414244 607593579 /nfs/dbraw/zinc/59/35/79/607593579.db2.gz XYDZGVVJGOSWQY-SECBINFHSA-N -1 1 395.401 0.064 20 5 GCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826412620 607596572 /nfs/dbraw/zinc/59/65/72/607596572.db2.gz VWUDWODCCKKHJX-UHFFFAOYSA-N -1 1 383.324 0.643 20 5 GCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826412620 607596573 /nfs/dbraw/zinc/59/65/73/607596573.db2.gz VWUDWODCCKKHJX-UHFFFAOYSA-N -1 1 383.324 0.643 20 5 GCBDMM NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCCC1 ZINC000826389923 607599456 /nfs/dbraw/zinc/59/94/56/607599456.db2.gz LNWXFGLLNCXYCI-UHFFFAOYSA-N -1 1 395.401 0.241 20 5 GCBDMM COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821665980 607604339 /nfs/dbraw/zinc/60/43/39/607604339.db2.gz OXNXQTAPMMMONO-VIFPVBQESA-N -1 1 396.385 0.349 20 5 GCBDMM O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OCC1CC1 ZINC000826413284 607605084 /nfs/dbraw/zinc/60/50/84/607605084.db2.gz YXCAZCWJGCGDBT-UHFFFAOYSA-N -1 1 382.358 0.006 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826500161 607623054 /nfs/dbraw/zinc/62/30/54/607623054.db2.gz NJIHFDNKAALHNA-GFCCVEGCSA-N -1 1 390.381 0.787 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826499987 607643608 /nfs/dbraw/zinc/64/36/08/607643608.db2.gz HJFSYJJIKCDFEV-GXSJLCMTSA-N -1 1 382.402 0.604 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cnn(C)c1 ZINC000824640314 607645016 /nfs/dbraw/zinc/64/50/16/607645016.db2.gz GGYKWZHPTYOVCQ-MRVPVSSYSA-N -1 1 378.374 0.548 20 5 GCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cnn(C)c1 ZINC000824640315 607645049 /nfs/dbraw/zinc/64/50/49/607645049.db2.gz GGYKWZHPTYOVCQ-QMMMGPOBSA-N -1 1 378.374 0.548 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826500484 607646240 /nfs/dbraw/zinc/64/62/40/607646240.db2.gz ZSGUMVNSJRRMNZ-UWVGGRQHSA-N -1 1 382.402 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826500483 607646596 /nfs/dbraw/zinc/64/65/96/607646596.db2.gz ZSGUMVNSJRRMNZ-NXEZZACHSA-N -1 1 382.402 0.604 20 5 GCBDMM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826390034 607663350 /nfs/dbraw/zinc/66/33/50/607663350.db2.gz OJGZZIIWDVKAGP-IUCAKERBSA-N -1 1 395.401 0.097 20 5 GCBDMM CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOCC1 ZINC000824822590 607667051 /nfs/dbraw/zinc/66/70/51/607667051.db2.gz FAYPSBCKKPFPBX-UHFFFAOYSA-N -1 1 382.402 0.870 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(OCC(F)F)C2)c1-c1nn[n-]n1 ZINC000826500459 607668537 /nfs/dbraw/zinc/66/85/37/607668537.db2.gz ZAURRWGFQLSVAF-UHFFFAOYSA-N -1 1 390.328 0.430 20 5 GCBDMM C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824402647 607669957 /nfs/dbraw/zinc/66/99/57/607669957.db2.gz XNTCZWNSDLIZBY-ZJUUUORDSA-N -1 1 382.402 0.868 20 5 GCBDMM CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486006 607673689 /nfs/dbraw/zinc/67/36/89/607673689.db2.gz LOIFWJINVXOTGC-QMMMGPOBSA-N -1 1 384.374 0.252 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCc3c[nH]nc32)c1-c1nn[n-]n1 ZINC000826500012 607676139 /nfs/dbraw/zinc/67/61/39/607676139.db2.gz HYZMAJOXGNUNQM-SECBINFHSA-N -1 1 390.385 0.854 20 5 GCBDMM Cc1ccc([C@@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] ZINC000822228983 606427974 /nfs/dbraw/zinc/42/79/74/606427974.db2.gz KBMMBRXBHMEZKO-SECBINFHSA-N -1 1 386.372 0.654 20 5 GCBDMM COc1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)n1 ZINC000821903411 606645850 /nfs/dbraw/zinc/64/58/50/606645850.db2.gz GHCRRVSBOGNIDA-UHFFFAOYSA-N -1 1 383.372 0.900 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(O)CCC2(CC1)OCCO2 ZINC000823619918 606707370 /nfs/dbraw/zinc/70/73/70/606707370.db2.gz CZPNWXLBXUHGBT-UHFFFAOYSA-N -1 1 377.361 0.630 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(O)CCC2(CC1)OCCO2 ZINC000823619918 606707372 /nfs/dbraw/zinc/70/73/72/606707372.db2.gz CZPNWXLBXUHGBT-UHFFFAOYSA-N -1 1 377.361 0.630 20 5 GCBDMM NS(=O)(=O)Cc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822895001 606707408 /nfs/dbraw/zinc/70/74/08/606707408.db2.gz KFDRWGYFKFPXQA-UHFFFAOYSA-N -1 1 390.385 0.571 20 5 GCBDMM NS(=O)(=O)Cc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822895001 606707409 /nfs/dbraw/zinc/70/74/09/606707409.db2.gz KFDRWGYFKFPXQA-UHFFFAOYSA-N -1 1 390.385 0.571 20 5 GCBDMM CCc1nc(CN2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)no1 ZINC000821509335 606710401 /nfs/dbraw/zinc/71/04/01/606710401.db2.gz GFEHQAQJPNBCPM-UHFFFAOYSA-N -1 1 386.376 0.438 20 5 GCBDMM CCc1nc(CN2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)no1 ZINC000821509335 606710403 /nfs/dbraw/zinc/71/04/03/606710403.db2.gz GFEHQAQJPNBCPM-UHFFFAOYSA-N -1 1 386.376 0.438 20 5 GCBDMM CCO[C@H]1C[C@@H](O)C12CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC000821358410 606712510 /nfs/dbraw/zinc/71/25/10/606712510.db2.gz ISSGMIWOCBRLSH-NEPJUHHUSA-N -1 1 375.389 0.926 20 5 GCBDMM CCO[C@H]1C[C@@H](O)C12CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC000821358410 606712511 /nfs/dbraw/zinc/71/25/11/606712511.db2.gz ISSGMIWOCBRLSH-NEPJUHHUSA-N -1 1 375.389 0.926 20 5 GCBDMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820769481 606714963 /nfs/dbraw/zinc/71/49/63/606714963.db2.gz UAVLGOJJTCKQKL-WCBMZHEXSA-N -1 1 382.406 0.252 20 5 GCBDMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820769481 606714964 /nfs/dbraw/zinc/71/49/64/606714964.db2.gz UAVLGOJJTCKQKL-WCBMZHEXSA-N -1 1 382.406 0.252 20 5 GCBDMM CC(C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000820131199 606730842 /nfs/dbraw/zinc/73/08/42/606730842.db2.gz ALNJQSOGWCJPMD-UHFFFAOYSA-N -1 1 381.418 0.490 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1-c1nn[n-]n1 ZINC000823648602 606732002 /nfs/dbraw/zinc/73/20/02/606732002.db2.gz YHJIEFDGUOOJTK-UHFFFAOYSA-N -1 1 396.385 0.303 20 5 GCBDMM CCN(CCC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821206828 606732606 /nfs/dbraw/zinc/73/26/06/606732606.db2.gz FYPUSHAQJITGSB-UHFFFAOYSA-N -1 1 384.374 0.349 20 5 GCBDMM CCO[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821367258 606733137 /nfs/dbraw/zinc/73/31/37/606733137.db2.gz DXICTCXZOLZDDT-SNVBAGLBSA-N -1 1 382.402 0.965 20 5 GCBDMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822369505 606936503 /nfs/dbraw/zinc/93/65/03/606936503.db2.gz JKQDHVKXQRJOIB-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM NS(=O)(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822894547 607163039 /nfs/dbraw/zinc/16/30/39/607163039.db2.gz ALVNHZANTSUZDJ-UHFFFAOYSA-N -1 1 382.387 0.491 20 5 GCBDMM NS(=O)(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000822894547 607163041 /nfs/dbraw/zinc/16/30/41/607163041.db2.gz ALVNHZANTSUZDJ-UHFFFAOYSA-N -1 1 382.387 0.491 20 5 GCBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000820461328 607164031 /nfs/dbraw/zinc/16/40/31/607164031.db2.gz HSSCSNIQMVUDHB-QMMMGPOBSA-N -1 1 390.385 0.990 20 5 GCBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000820461328 607164032 /nfs/dbraw/zinc/16/40/32/607164032.db2.gz HSSCSNIQMVUDHB-QMMMGPOBSA-N -1 1 390.385 0.990 20 5 GCBDMM COCCNC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821691221 607166153 /nfs/dbraw/zinc/16/61/53/607166153.db2.gz MZGHLVNLZVTKKR-UHFFFAOYSA-N -1 1 376.377 0.149 20 5 GCBDMM COCCNC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821691221 607166155 /nfs/dbraw/zinc/16/61/55/607166155.db2.gz MZGHLVNLZVTKKR-UHFFFAOYSA-N -1 1 376.377 0.149 20 5 GCBDMM CC[C@H](C)NC(=O)CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820875678 607167081 /nfs/dbraw/zinc/16/70/81/607167081.db2.gz CHHMLYPJYBLIIG-NSHDSACASA-N -1 1 389.420 0.207 20 5 GCBDMM CC[C@H](C)NC(=O)CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820875678 607167082 /nfs/dbraw/zinc/16/70/82/607167082.db2.gz CHHMLYPJYBLIIG-NSHDSACASA-N -1 1 389.420 0.207 20 5 GCBDMM Cn1c(=O)c(-c2nn[n-]n2)c(SCc2ccc([N+](=O)[O-])cc2)n(C)c1=O ZINC000826356455 607820914 /nfs/dbraw/zinc/82/09/14/607820914.db2.gz RPEUXAYEBYGIIM-UHFFFAOYSA-N -1 1 375.370 0.465 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc4nncn4n3)CC2)cc1-c1nnn[n-]1 ZINC000826499167 607841592 /nfs/dbraw/zinc/84/15/92/607841592.db2.gz YLBSXSIWJGSTFI-UHFFFAOYSA-N -1 1 393.371 0.539 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN(c3ccc4nncn4n3)CC2)cc1-c1nn[n-]n1 ZINC000826499167 607841593 /nfs/dbraw/zinc/84/15/93/607841593.db2.gz YLBSXSIWJGSTFI-UHFFFAOYSA-N -1 1 393.371 0.539 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])n1 ZINC000825805098 607851714 /nfs/dbraw/zinc/85/17/14/607851714.db2.gz RNBRWOWAGCDONQ-UHFFFAOYSA-N -1 1 378.374 0.470 20 5 GCBDMM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908398 607853737 /nfs/dbraw/zinc/85/37/37/607853737.db2.gz HHUJUTZSOVZEOA-KOLCDFICSA-N -1 1 382.402 0.556 20 5 GCBDMM O=C([O-])C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826461545 608010966 /nfs/dbraw/zinc/01/09/66/608010966.db2.gz ZBWRJGBBEHXNIJ-UHFFFAOYSA-N -1 1 382.358 0.260 20 5 GCBDMM C[C@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCN1C ZINC000824857112 608156402 /nfs/dbraw/zinc/15/64/02/608156402.db2.gz AZYJCZYISVBZHK-UWVGGRQHSA-N -1 1 381.418 0.488 20 5 GCBDMM C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824857113 608156722 /nfs/dbraw/zinc/15/67/22/608156722.db2.gz AZYJCZYISVBZHK-VHSXEESVSA-N -1 1 381.418 0.488 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000826357323 608158527 /nfs/dbraw/zinc/15/85/27/608158527.db2.gz AFBFRFUTDJGPSP-UHFFFAOYSA-N -1 1 380.328 0.946 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000826357323 608158528 /nfs/dbraw/zinc/15/85/28/608158528.db2.gz AFBFRFUTDJGPSP-UHFFFAOYSA-N -1 1 380.328 0.946 20 5 GCBDMM CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000825453239 608238489 /nfs/dbraw/zinc/23/84/89/608238489.db2.gz UQOQEYCBULIOGH-MNOVXSKESA-N -1 1 395.445 0.878 20 5 GCBDMM CC(C)(CCCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824152957 608250588 /nfs/dbraw/zinc/25/05/88/608250588.db2.gz VTCYLXWUGTWNHI-UHFFFAOYSA-N -1 1 384.418 0.852 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473628 608399463 /nfs/dbraw/zinc/39/94/63/608399463.db2.gz GZEGAEDHCRKYRK-UHFFFAOYSA-N -1 1 387.385 0.589 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473628 608399464 /nfs/dbraw/zinc/39/94/64/608399464.db2.gz GZEGAEDHCRKYRK-UHFFFAOYSA-N -1 1 387.385 0.589 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](O)C3)c2)C[C@H]1O ZINC000824994925 608554765 /nfs/dbraw/zinc/55/47/65/608554765.db2.gz XMQDYZWJXNPTCZ-ANGCBRKESA-N -1 1 389.416 0.409 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](O)C3)c2)C[C@H]1O ZINC000824994925 608554767 /nfs/dbraw/zinc/55/47/67/608554767.db2.gz XMQDYZWJXNPTCZ-ANGCBRKESA-N -1 1 389.416 0.409 20 5 GCBDMM C[C@H](O)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824688463 608566221 /nfs/dbraw/zinc/56/62/21/608566221.db2.gz IFJAGZJUMITJCV-VIFPVBQESA-N -1 1 384.418 0.850 20 5 GCBDMM Cc1nn(C[C@H](O)COc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1C ZINC000826334529 609490974 /nfs/dbraw/zinc/49/09/74/609490974.db2.gz YSXAJCXVXZEUQL-NSHDSACASA-N -1 1 387.356 0.388 20 5 GCBDMM CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000610260582 638449419 /nfs/dbraw/zinc/44/94/19/638449419.db2.gz HIVNLXBPQOPCBJ-UHFFFAOYSA-N -1 1 392.459 0.520 20 5 GCBDMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000906453923 639322123 /nfs/dbraw/zinc/32/21/23/639322123.db2.gz QMKZKGTZBPQWPC-UHFFFAOYSA-N -1 1 386.411 0.886 20 5 GCBDMM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000765214242 640663247 /nfs/dbraw/zinc/66/32/47/640663247.db2.gz HYMNOWQDHHKNIT-VIFPVBQESA-N -1 1 378.432 0.410 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@]2(CC(=O)OC)CCCOC2)c([N+](=O)[O-])n1 ZINC000770298909 640803419 /nfs/dbraw/zinc/80/34/19/640803419.db2.gz MHIVSVWZGOHBJY-ZDUSSCGKSA-N -1 1 376.391 0.202 20 5 GCBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000814982809 641814802 /nfs/dbraw/zinc/81/48/02/641814802.db2.gz PFTODHILHXEJIA-MRVPVSSYSA-N -1 1 398.752 0.770 20 5 GCBDMM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986487 641814934 /nfs/dbraw/zinc/81/49/34/641814934.db2.gz HPNACLIEZCHVNP-UHFFFAOYSA-N -1 1 389.814 0.605 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)cc1Cl ZINC000841547305 642310264 /nfs/dbraw/zinc/31/02/64/642310264.db2.gz CAIJGFZSLOYRLT-ZETCQYMHSA-N -1 1 379.757 0.318 20 5 GCBDMM NC(=O)[C@]1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000848503506 642544045 /nfs/dbraw/zinc/54/40/45/642544045.db2.gz GUCNXOSBSBWQJE-NSHDSACASA-N -1 1 384.197 0.824 20 5 GCBDMM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274866631 1184408121 /nfs/dbraw/zinc/40/81/21/1184408121.db2.gz CKARAGWKFSTCQG-ZDUSSCGKSA-N -1 1 391.428 0.854 20 5 GCBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000275002722 1184455365 /nfs/dbraw/zinc/45/53/65/1184455365.db2.gz VCXXXTYMWZVKSZ-UHFFFAOYSA-N -1 1 385.380 0.774 20 5 GCBDMM 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396.219 0.526 20 5 GCBDMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[nH]n1 ZINC000611497783 530266605 /nfs/dbraw/zinc/26/66/05/530266605.db2.gz JEOKANVWQBGUCV-UHFFFAOYSA-N -1 1 390.175 0.980 20 5 GCBDMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000289950144 530297215 /nfs/dbraw/zinc/29/72/15/530297215.db2.gz SLTACFMLIJERMV-ZETCQYMHSA-N -1 1 382.181 0.937 20 5 GCBDMM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000147295232 530298179 /nfs/dbraw/zinc/29/81/79/530298179.db2.gz RINNKAHBCZBGBT-SECBINFHSA-N -1 1 397.862 0.951 20 5 GCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000264566505 530372064 /nfs/dbraw/zinc/37/20/64/530372064.db2.gz UJNCQJRALCDFMT-UHFFFAOYSA-N -1 1 395.434 0.732 20 5 GCBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@]1(O)CCOC1 ZINC000229634164 530571091 /nfs/dbraw/zinc/57/10/91/530571091.db2.gz SSHOJLJEFKPJKR-NSHDSACASA-N -1 1 381.204 0.787 20 5 GCBDMM O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445143723 530804538 /nfs/dbraw/zinc/80/45/38/530804538.db2.gz JQWOWRMSLGQXRM-SECBINFHSA-N -1 1 387.395 0.322 20 5 GCBDMM COCCNC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416573147 530847689 /nfs/dbraw/zinc/84/76/89/530847689.db2.gz UQMWBVPAULXQDK-UHFFFAOYSA-N -1 1 377.806 0.822 20 5 GCBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000276400294 530911581 /nfs/dbraw/zinc/91/15/81/530911581.db2.gz SOTYYHYETGVBNG-NSHDSACASA-N -1 1 386.304 0.973 20 5 GCBDMM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1nn[n-]n1 ZINC000619775898 530883686 /nfs/dbraw/zinc/88/36/86/530883686.db2.gz UZLIFIOOFWSHHK-UHFFFAOYSA-N -1 1 388.125 0.951 20 5 GCBDMM CCN(CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])S(C)(=O)=O ZINC000299061671 530885103 /nfs/dbraw/zinc/88/51/03/530885103.db2.gz VJOOQEZMHWVKIP-UHFFFAOYSA-N -1 1 383.423 0.684 20 5 GCBDMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594826010 530885532 /nfs/dbraw/zinc/88/55/32/530885532.db2.gz FUECYVIYOMJXTG-PSASIEDQSA-N -1 1 384.819 0.339 20 5 GCBDMM COC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285283763 530926774 /nfs/dbraw/zinc/92/67/74/530926774.db2.gz SLFAGSYZWHJKDB-ZCFIWIBFSA-N -1 1 387.183 0.782 20 5 GCBDMM NC(=O)c1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000822889832 607346827 /nfs/dbraw/zinc/34/68/27/607346827.db2.gz GDRFXTNSYHWUMG-UHFFFAOYSA-N -1 1 395.383 0.595 20 5 GCBDMM O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738361721 598268268 /nfs/dbraw/zinc/26/82/68/598268268.db2.gz ZEJJHSLBLCGTAU-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738361721 598268270 /nfs/dbraw/zinc/26/82/70/598268270.db2.gz ZEJJHSLBLCGTAU-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM CCc1nn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706420 598377584 /nfs/dbraw/zinc/37/75/84/598377584.db2.gz LHPABYNMYFZSOL-UHFFFAOYSA-N -1 1 398.383 0.604 20 5 GCBDMM CN(C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597900 607382234 /nfs/dbraw/zinc/38/22/34/607382234.db2.gz KXUDHJLQKUZANV-LLVKDONJSA-N -1 1 398.387 0.302 20 5 GCBDMM CN(C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000821597900 607382236 /nfs/dbraw/zinc/38/22/36/607382236.db2.gz KXUDHJLQKUZANV-LLVKDONJSA-N -1 1 398.387 0.302 20 5 GCBDMM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821659165 607390681 /nfs/dbraw/zinc/39/06/81/607390681.db2.gz UCOUFFPBMLIRPE-VIFPVBQESA-N -1 1 396.385 0.491 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(NC[C@H]2CN(C)CCN2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655913 600240740 /nfs/dbraw/zinc/24/07/40/600240740.db2.gz GQXJCSQTOQKUOT-YPMHNXCESA-N -1 1 379.417 0.455 20 5 GCBDMM C[C@@H](CNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000736607044 600432895 /nfs/dbraw/zinc/43/28/95/600432895.db2.gz NXOMTOLZYSBFQA-LBPRGKRZSA-N -1 1 379.417 0.457 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2CCN(CCCCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703560 601445952 /nfs/dbraw/zinc/44/59/52/601445952.db2.gz OQKIOAZCICUTBN-ZDUSSCGKSA-N -1 1 394.428 0.692 20 5 GCBDMM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825839509 607580241 /nfs/dbraw/zinc/58/02/41/607580241.db2.gz HSHATAOLHAXLTP-SNVBAGLBSA-N -1 1 395.401 0.016 20 5 GCBDMM COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1 ZINC000826124079 607583506 /nfs/dbraw/zinc/58/35/06/607583506.db2.gz NUBMGPYNWWTIBU-UHFFFAOYSA-N -1 1 396.385 0.539 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2cccn2)c1-c1nn[n-]n1 ZINC000826500081 607584724 /nfs/dbraw/zinc/58/47/24/607584724.db2.gz KLMKWHLUQBMYGR-UHFFFAOYSA-N -1 1 378.374 0.340 20 5 GCBDMM NC(=O)c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826393709 607585785 /nfs/dbraw/zinc/58/57/85/607585785.db2.gz GAWOUAQBWNFQHF-UHFFFAOYSA-N -1 1 390.337 0.642 20 5 GCBDMM C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)Cn1cccn1 ZINC000824427782 607590150 /nfs/dbraw/zinc/59/01/50/607590150.db2.gz OWBAGAAQTKGNFN-SNVBAGLBSA-N -1 1 392.401 0.586 20 5 GCBDMM CC(C)N1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000824296931 607602793 /nfs/dbraw/zinc/60/27/93/607602793.db2.gz MGGGPUJTUPTXTI-VIFPVBQESA-N -1 1 395.401 0.063 20 5 GCBDMM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826133750 607604931 /nfs/dbraw/zinc/60/49/31/607604931.db2.gz OXNXQTAPMMMONO-SECBINFHSA-N -1 1 396.385 0.349 20 5 GCBDMM CCc1nc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)no1 ZINC000825744943 607610063 /nfs/dbraw/zinc/61/00/63/607610063.db2.gz HEQLTJFRMSNUIZ-UHFFFAOYSA-N -1 1 394.373 0.241 20 5 GCBDMM CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486653 607612749 /nfs/dbraw/zinc/61/27/49/607612749.db2.gz VDWUWDCWUKGNGP-QMMMGPOBSA-N -1 1 384.374 0.347 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826499907 607614058 /nfs/dbraw/zinc/61/40/58/607614058.db2.gz DLJVCLNJOWRMJR-JTQLQIEISA-N -1 1 398.401 0.106 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCSCC2)c1-c1nn[n-]n1 ZINC000826499962 607614181 /nfs/dbraw/zinc/61/41/81/607614181.db2.gz GMFAQNJPBVKJNO-UHFFFAOYSA-N -1 1 399.458 0.102 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2cccnc2)c1-c1nn[n-]n1 ZINC000826500312 607617839 /nfs/dbraw/zinc/61/78/39/607617839.db2.gz TTWQZHYDJWEKLD-UHFFFAOYSA-N -1 1 391.369 0.527 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826500324 607618028 /nfs/dbraw/zinc/61/80/28/607618028.db2.gz UENWYSQNZFYEJA-SNVBAGLBSA-N -1 1 398.401 0.249 20 5 GCBDMM Cc1cnn(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1 ZINC000826320269 607618953 /nfs/dbraw/zinc/61/89/53/607618953.db2.gz LBGIZSZSNBXRGB-UHFFFAOYSA-N -1 1 378.374 0.258 20 5 GCBDMM COC(=O)[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000826098519 607619541 /nfs/dbraw/zinc/61/95/41/607619541.db2.gz HKTLTRXADHIJKV-CQSZACIVSA-N -1 1 396.385 0.395 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826499855 607627191 /nfs/dbraw/zinc/62/71/91/607627191.db2.gz AULGXWFPPGEFOK-LBPRGKRZSA-N -1 1 396.429 0.994 20 5 GCBDMM C[C@H](O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824690959 607630843 /nfs/dbraw/zinc/63/08/43/607630843.db2.gz WRCUNOWUOPGYDI-VIFPVBQESA-N -1 1 382.402 0.556 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826499990 607643465 /nfs/dbraw/zinc/64/34/65/607643465.db2.gz HJFSYJJIKCDFEV-ONGXEEELSA-N -1 1 382.402 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826500486 607646311 /nfs/dbraw/zinc/64/63/11/607646311.db2.gz ZSGUMVNSJRRMNZ-ZJUUUORDSA-N -1 1 382.402 0.604 20 5 GCBDMM C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000824823728 607660710 /nfs/dbraw/zinc/66/07/10/607660710.db2.gz OENXXYDGXZNHIS-SWLSCSKDSA-N -1 1 396.429 0.994 20 5 GCBDMM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824442115 607666511 /nfs/dbraw/zinc/66/65/11/607666511.db2.gz UPPHQCZJESFLIX-VHSXEESVSA-N -1 1 398.401 0.247 20 5 GCBDMM CO[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1(C)C ZINC000826144511 607667459 /nfs/dbraw/zinc/66/74/59/607667459.db2.gz LOOJGDJZLZWMRY-QWRGUYRKSA-N -1 1 382.402 0.867 20 5 GCBDMM C[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824402640 607670333 /nfs/dbraw/zinc/67/03/33/607670333.db2.gz XNTCZWNSDLIZBY-UWVGGRQHSA-N -1 1 382.402 0.868 20 5 GCBDMM CC(C)(C)C[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824087375 607677897 /nfs/dbraw/zinc/67/78/97/607677897.db2.gz UDFDFRHEWZTGGL-VIFPVBQESA-N -1 1 384.418 0.850 20 5 GCBDMM CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825833338 607678127 /nfs/dbraw/zinc/67/81/27/607678127.db2.gz GKJHZNFVOINWBS-LLVKDONJSA-N -1 1 384.418 0.802 20 5 GCBDMM CCNC(=O)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825465316 607678160 /nfs/dbraw/zinc/67/81/60/607678160.db2.gz KDIUYJPROFOWKD-UHFFFAOYSA-N -1 1 397.417 0.216 20 5 GCBDMM COC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCOCC1 ZINC000826144196 607680178 /nfs/dbraw/zinc/68/01/78/607680178.db2.gz DHKQPTNQRCTRMO-UHFFFAOYSA-N -1 1 398.401 0.249 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC000826500140 607680767 /nfs/dbraw/zinc/68/07/67/607680767.db2.gz MMQPOUCZXSDWPX-UHFFFAOYSA-N -1 1 376.358 0.245 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821933244 606719845 /nfs/dbraw/zinc/71/98/45/606719845.db2.gz YKJDHJLDDAMJKP-SCZZXKLOSA-N -1 1 382.406 0.300 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821933244 606719846 /nfs/dbraw/zinc/71/98/46/606719846.db2.gz YKJDHJLDDAMJKP-SCZZXKLOSA-N -1 1 382.406 0.300 20 5 GCBDMM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821592392 606731301 /nfs/dbraw/zinc/73/13/01/606731301.db2.gz DMABRFANPVPLPE-UHFFFAOYSA-N -1 1 397.417 0.310 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000823647522 606733678 /nfs/dbraw/zinc/73/36/78/606733678.db2.gz LJIHORYRYIABPX-NSHDSACASA-N -1 1 393.429 0.634 20 5 GCBDMM COC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821683431 606734744 /nfs/dbraw/zinc/73/47/44/606734744.db2.gz AKSHSDMXAGDZQP-SNVBAGLBSA-N -1 1 382.402 0.822 20 5 GCBDMM CN(CCn1cccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821607244 606735153 /nfs/dbraw/zinc/73/51/53/606735153.db2.gz FVOYQGVLYDKOLR-UHFFFAOYSA-N -1 1 378.374 0.292 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000820788482 606767579 /nfs/dbraw/zinc/76/75/79/606767579.db2.gz HYIKPKPQZUKRNF-VIFPVBQESA-N -1 1 384.360 0.244 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000820788482 606767581 /nfs/dbraw/zinc/76/75/81/606767581.db2.gz HYIKPKPQZUKRNF-VIFPVBQESA-N -1 1 384.360 0.244 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000820789086 606825462 /nfs/dbraw/zinc/82/54/62/606825462.db2.gz VJLYPXWNSBJMFZ-SNVBAGLBSA-N -1 1 398.387 0.254 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000820789086 606825464 /nfs/dbraw/zinc/82/54/64/606825464.db2.gz VJLYPXWNSBJMFZ-SNVBAGLBSA-N -1 1 398.387 0.254 20 5 GCBDMM CCCCNC(=O)CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821065672 607162362 /nfs/dbraw/zinc/16/23/62/607162362.db2.gz LNOHICFUSKNKCS-UHFFFAOYSA-N -1 1 389.420 0.208 20 5 GCBDMM CCCCNC(=O)CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821065672 607162364 /nfs/dbraw/zinc/16/23/64/607162364.db2.gz LNOHICFUSKNKCS-UHFFFAOYSA-N -1 1 389.420 0.208 20 5 GCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000823127072 607239357 /nfs/dbraw/zinc/23/93/57/607239357.db2.gz RTYYOZXVCQVCFS-AWEZNQCLSA-N -1 1 387.385 0.641 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826500461 607938607 /nfs/dbraw/zinc/93/86/07/607938607.db2.gz ZBRZCMCVIPPVQI-LURJTMIESA-N -1 1 396.307 0.367 20 5 GCBDMM CC[C@]1(C)COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825164967 608155152 /nfs/dbraw/zinc/15/51/52/608155152.db2.gz OGHJSLPSIDSCTE-CQSZACIVSA-N -1 1 382.402 0.965 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC3(C2)OCCO3)c1-c1nn[n-]n1 ZINC000826500128 608342139 /nfs/dbraw/zinc/34/21/39/608342139.db2.gz MGIORMCQAXRTPM-UHFFFAOYSA-N -1 1 396.385 0.303 20 5 GCBDMM C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824688461 608566195 /nfs/dbraw/zinc/56/61/95/608566195.db2.gz IFJAGZJUMITJCV-SECBINFHSA-N -1 1 384.418 0.850 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccccn2)c1-c1nn[n-]n1 ZINC000826499870 608568045 /nfs/dbraw/zinc/56/80/45/608568045.db2.gz BNUNCDUYFADTPG-NSHDSACASA-N -1 1 391.369 0.182 20 5 GCBDMM CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825901895 608568908 /nfs/dbraw/zinc/56/89/08/608568908.db2.gz LMPSWQZTGFOGFF-MRVPVSSYSA-N -1 1 396.307 0.319 20 5 GCBDMM CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908534 609333680 /nfs/dbraw/zinc/33/36/80/609333680.db2.gz JCDDTHOVONQTAA-JQWIXIFHSA-N -1 1 396.429 0.947 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000826334631 609534943 /nfs/dbraw/zinc/53/49/43/609534943.db2.gz CLAHAAFLHWMXBV-JTQLQIEISA-N -1 1 385.392 0.238 20 5 GCBDMM Cc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000826334631 609534945 /nfs/dbraw/zinc/53/49/45/609534945.db2.gz CLAHAAFLHWMXBV-JTQLQIEISA-N -1 1 385.392 0.238 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@]1(N2CCOCC2)CCSC1 ZINC000610261708 638450212 /nfs/dbraw/zinc/45/02/12/638450212.db2.gz YKLQONLZLSNTET-CQSZACIVSA-N -1 1 388.471 0.476 20 5 GCBDMM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776802001 641116786 /nfs/dbraw/zinc/11/67/86/641116786.db2.gz KWFHGVKHHHOGED-VXGBXAGGSA-N -1 1 378.378 0.833 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC2CCN(C(=O)OC)CC2)c([N+](=O)[O-])n1 ZINC000796171215 641537323 /nfs/dbraw/zinc/53/73/23/641537323.db2.gz ZBWMIODVCMMBBM-UHFFFAOYSA-N -1 1 375.407 0.568 20 5 GCBDMM CON(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000817148832 641875157 /nfs/dbraw/zinc/87/51/57/641875157.db2.gz PXSMBNNICOMQHZ-UHFFFAOYSA-N -1 1 382.192 0.655 20 5 GCBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274900445 1184422032 /nfs/dbraw/zinc/42/20/32/1184422032.db2.gz IBDFMJMQIONOHK-VIFPVBQESA-N -1 1 398.353 0.063 20 5 GCBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)no1 ZINC000275038632 1184469891 /nfs/dbraw/zinc/46/98/91/1184469891.db2.gz DVKPXFHKIWVHAA-UHFFFAOYSA-N -1 1 383.342 0.721 20 5 GCBDMM Cc1cc(=O)c(C(=O)[N-]c2nccn(C)c2=O)nn1-c1ccccc1[N+](=O)[O-] ZINC000471249548 1184539985 /nfs/dbraw/zinc/53/99/85/1184539985.db2.gz LHHRROLYDUUESN-UHFFFAOYSA-N -1 1 382.336 0.795 20 5 GCBDMM CS(=O)(=O)c1ccc(NCCNC(=O)c2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000511458308 1185168015 /nfs/dbraw/zinc/16/80/15/1185168015.db2.gz CCRRWKMABOTQCF-UHFFFAOYSA-N -1 1 380.382 0.941 20 5 GCBDMM COC(=O)c1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)nn1 ZINC000278070257 1186767546 /nfs/dbraw/zinc/76/75/46/1186767546.db2.gz OBLLWCBJVISETN-UHFFFAOYSA-N -1 1 388.340 0.234 20 5 GCBDMM CCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OC ZINC000364529733 1187447735 /nfs/dbraw/zinc/44/77/35/1187447735.db2.gz SNOWDYAUZCXBCM-ZDUSSCGKSA-N -1 1 378.345 0.729 20 5 GCBDMM O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000375908083 1187482788 /nfs/dbraw/zinc/48/27/88/1187482788.db2.gz ZTRUJESQGZXSRP-LLVKDONJSA-N -1 1 398.383 0.780 20 5 GCBDMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000512640636 1193724822 /nfs/dbraw/zinc/72/48/22/1193724822.db2.gz ZAUVDWMXCLXDNZ-UHFFFAOYSA-N -1 1 377.342 0.554 20 5 GCBDMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[n-]1 ZINC000512640636 1193724823 /nfs/dbraw/zinc/72/48/23/1193724823.db2.gz ZAUVDWMXCLXDNZ-UHFFFAOYSA-N -1 1 377.342 0.554 20 5 GCBDMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000424210150 1194805100 /nfs/dbraw/zinc/80/51/00/1194805100.db2.gz UCZXOAUKRHTHTN-UHFFFAOYSA-N -1 1 395.353 0.731 20 5 GCBDMM COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000425307022 1194904195 /nfs/dbraw/zinc/90/41/95/1194904195.db2.gz AYMSANOHINVRFQ-CYBMUJFWSA-N -1 1 380.401 0.209 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])n1 ZINC000435796107 1194964864 /nfs/dbraw/zinc/96/48/64/1194964864.db2.gz HJJSHYQOARXAFE-UHFFFAOYSA-N -1 1 397.413 0.987 20 5 GCBDMM O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc([O-])cc1 ZINC000436897927 1195046542 /nfs/dbraw/zinc/04/65/42/1195046542.db2.gz VLGLHAYXIGNSEP-UHFFFAOYSA-N -1 1 393.377 0.578 20 5 GCBDMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nn1 ZINC000441890574 1195929160 /nfs/dbraw/zinc/92/91/60/1195929160.db2.gz OLHVMHXRXLOGGI-UHFFFAOYSA-N -1 1 383.386 0.455 20 5 GCBDMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000281758742 1196329534 /nfs/dbraw/zinc/32/95/34/1196329534.db2.gz PYESPNCUWKTTGH-UHFFFAOYSA-N -1 1 380.401 0.163 20 5 GCBDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)CC2)n1 ZINC000444762225 1196519553 /nfs/dbraw/zinc/51/95/53/1196519553.db2.gz ZFDWKYGSDRYULS-UHFFFAOYSA-N -1 1 391.388 0.801 20 5 GCBDMM COc1ccc(C[C@H](CO)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1O ZINC000533551874 1197459086 /nfs/dbraw/zinc/45/90/86/1197459086.db2.gz RFJBOBCZIODPOX-LBPRGKRZSA-N -1 1 397.409 0.834 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2F)c([N+](=O)[O-])n1 ZINC000533635023 1197463482 /nfs/dbraw/zinc/46/34/82/1197463482.db2.gz FWVGRIOYVDSVEW-UHFFFAOYSA-N -1 1 385.377 0.659 20 5 GCBDMM O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000554005598 1199037208 /nfs/dbraw/zinc/03/72/08/1199037208.db2.gz IRHMFMGGIOWRAL-GFCCVEGCSA-N -1 1 387.400 0.964 20 5 GCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC001213293329 1199445451 /nfs/dbraw/zinc/44/54/51/1199445451.db2.gz NKQWYMMLSVADEC-UHFFFAOYSA-N -1 1 375.378 0.113 20 5 GCBDMM CCc1[nH]nc(C(=O)[N-]c2ncn(CC(=O)N3CCCCCC3)n2)c1[N+](=O)[O-] ZINC000444153109 1201020946 /nfs/dbraw/zinc/02/09/46/1201020946.db2.gz XEFIPLSVVHTSEJ-UHFFFAOYSA-N -1 1 390.404 1.127 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3CCO)c([N+](=O)[O-])n1 ZINC000611105875 1201216760 /nfs/dbraw/zinc/21/67/60/1201216760.db2.gz CMRWAIBAJUQHSL-LLVKDONJSA-N -1 1 384.418 0.356 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000611107340 1201216831 /nfs/dbraw/zinc/21/68/31/1201216831.db2.gz KQEWAVOARZZLCU-QWHCGFSZSA-N -1 1 387.462 0.733 20 5 GCBDMM COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000736162228 1201711387 /nfs/dbraw/zinc/71/13/87/1201711387.db2.gz LSWVAMPYQNCQNP-UHFFFAOYSA-N -1 1 390.356 0.894 20 5 GCBDMM Cc1ccc(C)c(S(=O)(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)c1[N+](=O)[O-] ZINC000790387719 1205462962 /nfs/dbraw/zinc/46/29/62/1205462962.db2.gz AAHQZUHSHKXWDC-UHFFFAOYSA-N -1 1 393.385 0.899 20 5 GCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000806833555 1205567961 /nfs/dbraw/zinc/56/79/61/1205567961.db2.gz WNJJAMUWSSJHMB-UHFFFAOYSA-N -1 1 383.368 0.417 20 5 GCBDMM COC(=O)c1ccc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)c([N+](=O)[O-])c1 ZINC000747621607 1205640831 /nfs/dbraw/zinc/64/08/31/1205640831.db2.gz ZOAVVXYOIINRDN-UHFFFAOYSA-N -1 1 397.369 0.794 20 5 GCBDMM COC(=O)c1ccc(S(=O)(=O)[N-]N=c2nc(OC)cc(C)[nH]2)c([N+](=O)[O-])c1 ZINC000747621607 1205640832 /nfs/dbraw/zinc/64/08/32/1205640832.db2.gz ZOAVVXYOIINRDN-UHFFFAOYSA-N -1 1 397.369 0.794 20 5 GCBDMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccnc1-2 ZINC000812319769 1205663713 /nfs/dbraw/zinc/66/37/13/1205663713.db2.gz RCTARKVYFVRSDS-UHFFFAOYSA-N -1 1 378.326 0.959 20 5 GCBDMM COc1ccc(S(=O)(=O)[N-]C(=O)CCCCc2cn[nH]n2)c([N+](=O)[O-])c1 ZINC000774033749 1205860457 /nfs/dbraw/zinc/86/04/57/1205860457.db2.gz DYYDNVUSFDCOOD-UHFFFAOYSA-N -1 1 383.386 0.939 20 5 GCBDMM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC001188245606 1205977002 /nfs/dbraw/zinc/97/70/02/1205977002.db2.gz HKJOWTSWBLHWDE-UKRRQHHQSA-N -1 1 398.485 0.947 20 5 GCBDMM CCS(=O)(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821442893 945697790 /nfs/dbraw/zinc/69/77/90/945697790.db2.gz WZLYHYRGNOWIMM-UHFFFAOYSA-N -1 1 382.406 0.396 20 5 GCBDMM CCS(=O)(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821442893 945697797 /nfs/dbraw/zinc/69/77/97/945697797.db2.gz WZLYHYRGNOWIMM-UHFFFAOYSA-N -1 1 382.406 0.396 20 5 GCBDMM CC(=O)NCc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)s1 ZINC001573533289 946710522 /nfs/dbraw/zinc/71/05/22/946710522.db2.gz MMBWNBAWNGISNA-UHFFFAOYSA-N -1 1 376.358 0.552 20 5 GCBDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001593700446 954109308 /nfs/dbraw/zinc/10/93/08/954109308.db2.gz TWWYXEVBSUMHLJ-UHFFFAOYSA-N -1 1 382.398 0.780 20 5 GCBDMM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000740089953 978668120 /nfs/dbraw/zinc/66/81/20/978668120.db2.gz PKLXMXSXIQXKKU-UHFFFAOYSA-N -1 1 378.322 0.477 20 5 GCBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC001598617113 993906577 /nfs/dbraw/zinc/90/65/77/993906577.db2.gz UHGTZRVTCPRUTJ-UHFFFAOYSA-N -1 1 394.384 0.098 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2CCN(CCO)C(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169810 994023112 /nfs/dbraw/zinc/02/31/12/994023112.db2.gz GCRHLFJXYWWPGP-LBPRGKRZSA-N -1 1 394.428 0.691 20 5 GCBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCOCC1 ZINC000437341829 530123719 /nfs/dbraw/zinc/12/37/19/530123719.db2.gz XMELPNHQNJQDOO-GFCCVEGCSA-N -1 1 377.444 0.818 20 5 GCBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000599208169 530160870 /nfs/dbraw/zinc/16/08/70/530160870.db2.gz WPJTXYYJLHEYKI-MRVPVSSYSA-N -1 1 389.415 0.015 20 5 GCBDMM O=C1CCOC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599441845 530162707 /nfs/dbraw/zinc/16/27/07/530162707.db2.gz KNFOKXZTGLRZCV-MRVPVSSYSA-N -1 1 379.188 0.994 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCn2cc(Br)cn2)c([N+](=O)[O-])n1 ZINC000511430522 530182516 /nfs/dbraw/zinc/18/25/16/530182516.db2.gz PGIRCQBZDZQABK-UHFFFAOYSA-N -1 1 393.223 0.749 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000477623809 530223774 /nfs/dbraw/zinc/22/37/74/530223774.db2.gz XNGWRLMOHAJSED-UHFFFAOYSA-N -1 1 376.372 0.367 20 5 GCBDMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000612632352 530270669 /nfs/dbraw/zinc/27/06/69/530270669.db2.gz FWCJCMIVDNVTBZ-MRVPVSSYSA-N -1 1 397.203 0.560 20 5 GCBDMM CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289290686 530263534 /nfs/dbraw/zinc/26/35/34/530263534.db2.gz GXHOQCMXTGLCFL-UHFFFAOYSA-N -1 1 375.787 0.215 20 5 GCBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000146666374 530304434 /nfs/dbraw/zinc/30/44/34/530304434.db2.gz GZXWFOWIPIVXIV-QMMMGPOBSA-N -1 1 380.762 0.631 20 5 GCBDMM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264534935 530371737 /nfs/dbraw/zinc/37/17/37/530371737.db2.gz YXWIKLXYYHICBD-UHFFFAOYSA-N -1 1 376.778 0.468 20 5 GCBDMM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000438902204 530572560 /nfs/dbraw/zinc/57/25/60/530572560.db2.gz LWLDKICAZQBQMK-UHFFFAOYSA-N -1 1 397.862 0.808 20 5 GCBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000544608450 530575338 /nfs/dbraw/zinc/57/53/38/530575338.db2.gz VTLBDPJFELICJU-SNVBAGLBSA-N -1 1 386.304 0.973 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445032891 530801629 /nfs/dbraw/zinc/80/16/29/530801629.db2.gz KWGWDZSRCAXPGI-RKDXNWHRSA-N -1 1 383.473 0.795 20 5 GCBDMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000444968323 530802010 /nfs/dbraw/zinc/80/20/10/530802010.db2.gz TUJUSXBYNUXCLE-UHFFFAOYSA-N -1 1 386.411 0.774 20 5 GCBDMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1=O ZINC000296056767 530858971 /nfs/dbraw/zinc/85/89/71/530858971.db2.gz OUPZCKQLXKJACE-ZCFIWIBFSA-N -1 1 382.181 0.937 20 5 GCBDMM CCCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525185999 530875229 /nfs/dbraw/zinc/87/52/29/530875229.db2.gz QZLHOZMFXGSTOX-UHFFFAOYSA-N -1 1 392.459 0.472 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631909 530901599 /nfs/dbraw/zinc/90/15/99/530901599.db2.gz FYFBTQFNUJVGLP-TXEJJXNPSA-N -1 1 375.451 0.589 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000531483521 530896792 /nfs/dbraw/zinc/89/67/92/530896792.db2.gz GYTAZMYXWVSSNY-UHFFFAOYSA-N -1 1 390.443 0.225 20 5 GCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccnc2)s1 ZINC000448160997 530911377 /nfs/dbraw/zinc/91/13/77/530911377.db2.gz XPTODFLKPGPUKH-UHFFFAOYSA-N -1 1 392.440 0.308 20 5 GCBDMM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000501160616 530932139 /nfs/dbraw/zinc/93/21/39/530932139.db2.gz CNMLWYRVTJDJBP-QMMMGPOBSA-N -1 1 377.400 0.099 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000501934629 530933049 /nfs/dbraw/zinc/93/30/49/530933049.db2.gz LCRJWNWTGVRRQY-UHFFFAOYSA-N -1 1 386.411 0.774 20 5 GCBDMM Cn1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n(C)c1=O ZINC000466520085 530912725 /nfs/dbraw/zinc/91/27/25/530912725.db2.gz SNSDUTDNMJZJLH-UHFFFAOYSA-N -1 1 388.789 0.124 20 5 GCBDMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1 ZINC000467043600 530913851 /nfs/dbraw/zinc/91/38/51/530913851.db2.gz GJCVPDBFERAZDZ-UHFFFAOYSA-N -1 1 375.388 0.208 20 5 GCBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000468852322 530917581 /nfs/dbraw/zinc/91/75/81/530917581.db2.gz DRHLIRHDQWQUTI-ZETCQYMHSA-N -1 1 386.304 0.973 20 5 GCBDMM CNS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296444780 530962250 /nfs/dbraw/zinc/96/22/50/530962250.db2.gz WSRGBKXRBGTWNT-UHFFFAOYSA-N -1 1 392.242 0.729 20 5 GCBDMM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269860823 530950761 /nfs/dbraw/zinc/95/07/61/530950761.db2.gz JBDYOHZJGQIPCT-SECBINFHSA-N -1 1 397.862 0.808 20 5 GCBDMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000441892162 530987696 /nfs/dbraw/zinc/98/76/96/530987696.db2.gz QGESTFJYJACEJR-UHFFFAOYSA-N -1 1 389.777 0.491 20 5 GCBDMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000487397398 531040088 /nfs/dbraw/zinc/04/00/88/531040088.db2.gz OBVVBKDDGHYTGM-JGVFFNPUSA-N -1 1 379.416 0.391 20 5 GCBDMM O=C([O-])CNC(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000548198746 531087350 /nfs/dbraw/zinc/08/73/50/531087350.db2.gz HIEGYNKTAYODMQ-UHFFFAOYSA-N -1 1 386.169 0.381 20 5 GCBDMM CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000818385715 596902123 /nfs/dbraw/zinc/90/21/23/596902123.db2.gz QAYRIACSSFZXCB-LLVKDONJSA-N -1 1 386.430 0.346 20 5 GCBDMM O=[N+]([O-])c1cc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1-c1nn[n-]n1 ZINC000823635307 607345778 /nfs/dbraw/zinc/34/57/78/607345778.db2.gz VFYIFUMDTALQHJ-GFCCVEGCSA-N -1 1 393.429 0.084 20 5 GCBDMM CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828482 598264261 /nfs/dbraw/zinc/26/42/61/598264261.db2.gz LWUUSQAQHHJEIH-UHFFFAOYSA-N -1 1 375.370 0.991 20 5 GCBDMM CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828482 598264263 /nfs/dbraw/zinc/26/42/63/598264263.db2.gz LWUUSQAQHHJEIH-UHFFFAOYSA-N -1 1 375.370 0.991 20 5 GCBDMM Cc1nn(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513883 598473069 /nfs/dbraw/zinc/47/30/69/598473069.db2.gz XUELQGXOQKAXGO-UHFFFAOYSA-N -1 1 388.319 0.726 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823651541 599366164 /nfs/dbraw/zinc/36/61/64/599366164.db2.gz NFUBUXCRYASRDZ-UHFFFAOYSA-N -1 1 379.333 0.788 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CC[C@@H](CO)C2)cc1N1CC[C@@H](CO)C1 ZINC000823614762 599570254 /nfs/dbraw/zinc/57/02/54/599570254.db2.gz SITYVYPQUAQAGH-VXGBXAGGSA-N -1 1 389.416 0.412 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CC[C@@H](CO)C2)cc1N1CC[C@@H](CO)C1 ZINC000823614762 599570255 /nfs/dbraw/zinc/57/02/55/599570255.db2.gz SITYVYPQUAQAGH-VXGBXAGGSA-N -1 1 389.416 0.412 20 5 GCBDMM C[C@@H](CN1CCN(C)CC1)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736584616 600008651 /nfs/dbraw/zinc/00/86/51/600008651.db2.gz DTYXGAGJIXXHOM-STQMWFEESA-N -1 1 393.444 0.846 20 5 GCBDMM CN1CCN(C[C@H]2CN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCO2)CC1 ZINC000737526383 600119408 /nfs/dbraw/zinc/11/94/08/600119408.db2.gz MXOBFGLPEJBQQH-INIZCTEOSA-N -1 1 392.412 0.381 20 5 GCBDMM CC[C@H](O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736926770 600670834 /nfs/dbraw/zinc/67/08/34/600670834.db2.gz IJDFZOZQVHMNMN-JSGCOSHPSA-N -1 1 394.428 0.691 20 5 GCBDMM CC[C@@H](O)CN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736926767 600670852 /nfs/dbraw/zinc/67/08/52/600670852.db2.gz IJDFZOZQVHMNMN-GXTWGEPZSA-N -1 1 394.428 0.691 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000739812096 600671215 /nfs/dbraw/zinc/67/12/15/600671215.db2.gz HGIHYKUGJZTZNX-GOEBONIOSA-N -1 1 392.412 0.445 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N2CCN(C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827804276 600812617 /nfs/dbraw/zinc/81/26/17/600812617.db2.gz UXPCPDGDPZUODY-RWMBFGLXSA-N -1 1 394.428 0.689 20 5 GCBDMM CC[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000829160288 600812678 /nfs/dbraw/zinc/81/26/78/600812678.db2.gz HGOKKYHDDWNEDZ-JSGCOSHPSA-N -1 1 394.428 0.691 20 5 GCBDMM COCCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826160738 607580175 /nfs/dbraw/zinc/58/01/75/607580175.db2.gz DGCUQMPQTKDKPT-UHFFFAOYSA-N -1 1 386.390 0.106 20 5 GCBDMM CN(Cc1nccn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825998748 607587221 /nfs/dbraw/zinc/58/72/21/607587221.db2.gz BIYMEBOABKJAJK-UHFFFAOYSA-N -1 1 378.374 0.329 20 5 GCBDMM CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825512132 607594120 /nfs/dbraw/zinc/59/41/20/607594120.db2.gz VCSMYPOFPZDNHA-UHFFFAOYSA-N -1 1 398.401 0.737 20 5 GCBDMM NC(=O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1 ZINC000826390166 607617110 /nfs/dbraw/zinc/61/71/10/607617110.db2.gz RKNZMMUAZHIDKY-UHFFFAOYSA-N -1 1 395.401 0.099 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2CO)c1-c1nn[n-]n1 ZINC000826500020 607628897 /nfs/dbraw/zinc/62/88/97/607628897.db2.gz IIUSEBRGDQGIOE-UHFFFAOYSA-N -1 1 390.381 0.746 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](CCO)C2)c1-c1nn[n-]n1 ZINC000826500195 607632966 /nfs/dbraw/zinc/63/29/66/607632966.db2.gz OBMNSPSMNMEUNC-SNVBAGLBSA-N -1 1 382.402 0.558 20 5 GCBDMM CSC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826226616 607639433 /nfs/dbraw/zinc/63/94/33/607639433.db2.gz CUGJRJGIDTYBOZ-GFCCVEGCSA-N -1 1 388.431 0.167 20 5 GCBDMM CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H]2CCO[C@H]21 ZINC000824790085 607643099 /nfs/dbraw/zinc/64/30/99/607643099.db2.gz KIEPVGSDWNEYGX-ZEGGKSINSA-N -1 1 394.413 0.867 20 5 GCBDMM COCCOC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826160796 607649006 /nfs/dbraw/zinc/64/90/06/607649006.db2.gz GZFQIGFMILJJMV-SECBINFHSA-N -1 1 386.390 0.105 20 5 GCBDMM CC[C@H](C[C@@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825089308 607657284 /nfs/dbraw/zinc/65/72/84/607657284.db2.gz CJIQKXZIDAARPN-NXEZZACHSA-N -1 1 384.418 0.850 20 5 GCBDMM C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC[C@H]1O ZINC000824823722 607659965 /nfs/dbraw/zinc/65/99/65/607659965.db2.gz OENXXYDGXZNHIS-DOMZBBRYSA-N -1 1 396.429 0.994 20 5 GCBDMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822162059 606204101 /nfs/dbraw/zinc/20/41/01/606204101.db2.gz XABGUTDSSAPUTO-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)ccc1[O-] ZINC000823635222 606338313 /nfs/dbraw/zinc/33/83/13/606338313.db2.gz UHFDZSIWJKVKQL-UHFFFAOYSA-N -1 1 378.326 0.987 20 5 GCBDMM Cn1cccc1C(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822690330 606699846 /nfs/dbraw/zinc/69/98/46/606699846.db2.gz WMOZQFDEBUNKDF-UHFFFAOYSA-N -1 1 383.372 0.471 20 5 GCBDMM Cn1cccc1C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822690330 606699847 /nfs/dbraw/zinc/69/98/47/606699847.db2.gz WMOZQFDEBUNKDF-UHFFFAOYSA-N -1 1 383.372 0.471 20 5 GCBDMM CC(C)OCCOC[C@@H](O)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820146889 606702577 /nfs/dbraw/zinc/70/25/77/606702577.db2.gz TXEOCFAJMPJFSP-NSHDSACASA-N -1 1 381.393 0.409 20 5 GCBDMM CC(C)OCCOC[C@@H](O)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820146889 606702578 /nfs/dbraw/zinc/70/25/78/606702578.db2.gz TXEOCFAJMPJFSP-NSHDSACASA-N -1 1 381.393 0.409 20 5 GCBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000819983996 606711574 /nfs/dbraw/zinc/71/15/74/606711574.db2.gz LVPYEFOLJMBPLL-UHFFFAOYSA-N -1 1 380.434 0.425 20 5 GCBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000819983996 606711575 /nfs/dbraw/zinc/71/15/75/606711575.db2.gz LVPYEFOLJMBPLL-UHFFFAOYSA-N -1 1 380.434 0.425 20 5 GCBDMM CC(=O)N1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000819797149 606730895 /nfs/dbraw/zinc/73/08/95/606730895.db2.gz SZZLYCRMCLSHHD-UHFFFAOYSA-N -1 1 395.401 0.018 20 5 GCBDMM COCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821684954 606735037 /nfs/dbraw/zinc/73/50/37/606735037.db2.gz PIQNUUCUMTUINW-UHFFFAOYSA-N -1 1 382.402 0.822 20 5 GCBDMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000821657872 606736581 /nfs/dbraw/zinc/73/65/81/606736581.db2.gz XYYVYDLATVGUFY-RKDXNWHRSA-N -1 1 396.385 0.205 20 5 GCBDMM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821654078 606736612 /nfs/dbraw/zinc/73/66/12/606736612.db2.gz SQIZVJUYOPOUNR-CQSZACIVSA-N -1 1 396.385 0.349 20 5 GCBDMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1C ZINC000821657871 606736701 /nfs/dbraw/zinc/73/67/01/606736701.db2.gz XYYVYDLATVGUFY-IUCAKERBSA-N -1 1 396.385 0.205 20 5 GCBDMM O=C(N1CCCCC1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823140183 607165922 /nfs/dbraw/zinc/16/59/22/607165922.db2.gz QTUMGBBWYDOFSX-UHFFFAOYSA-N -1 1 387.404 0.898 20 5 GCBDMM O=C(N1CCCCC1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823140183 607165923 /nfs/dbraw/zinc/16/59/23/607165923.db2.gz QTUMGBBWYDOFSX-UHFFFAOYSA-N -1 1 387.404 0.898 20 5 GCBDMM CCS(=O)(=O)NC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821441631 607167159 /nfs/dbraw/zinc/16/71/59/607167159.db2.gz MQGHLNNDCNHKLJ-UHFFFAOYSA-N -1 1 382.406 0.078 20 5 GCBDMM CCS(=O)(=O)NC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821441631 607167160 /nfs/dbraw/zinc/16/71/60/607167160.db2.gz MQGHLNNDCNHKLJ-UHFFFAOYSA-N -1 1 382.406 0.078 20 5 GCBDMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)c1=O ZINC000822600601 607175930 /nfs/dbraw/zinc/17/59/30/607175930.db2.gz ODTMFYKBJDMFOX-UHFFFAOYSA-N -1 1 398.383 0.341 20 5 GCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823122535 607220241 /nfs/dbraw/zinc/22/02/41/607220241.db2.gz FJWOMUNVKKOSDK-UHFFFAOYSA-N -1 1 399.371 0.436 20 5 GCBDMM CCC(CC)(CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825090063 607811983 /nfs/dbraw/zinc/81/19/83/607811983.db2.gz RGWJQALIMJKKTN-UHFFFAOYSA-N -1 1 384.418 0.852 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(-c3nn[nH]n3)ccc2F)c([N+](=O)[O-])n1 ZINC000825804798 607851526 /nfs/dbraw/zinc/85/15/26/607851526.db2.gz GUDFPYJDNQCZMT-UHFFFAOYSA-N -1 1 396.364 0.609 20 5 GCBDMM C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824677121 607970827 /nfs/dbraw/zinc/97/08/27/607970827.db2.gz BNNINXPUCMFLSG-UWVGGRQHSA-N -1 1 382.402 0.699 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)c1-c1nn[n-]n1 ZINC000826500026 607972371 /nfs/dbraw/zinc/97/23/71/607972371.db2.gz IOKOGUBWXOOSGV-MGCOHNPYSA-N -1 1 382.402 0.604 20 5 GCBDMM CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825498762 608026324 /nfs/dbraw/zinc/02/63/24/608026324.db2.gz BYQZQHQEBGJDSX-SECBINFHSA-N -1 1 398.401 0.643 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC000826499842 608026790 /nfs/dbraw/zinc/02/67/90/608026790.db2.gz AEMHUZGOXDDODO-LLVKDONJSA-N -1 1 380.386 0.574 20 5 GCBDMM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486203 608127208 /nfs/dbraw/zinc/12/72/08/608127208.db2.gz OAXNRXFDIINLDL-IUCAKERBSA-N -1 1 398.401 0.641 20 5 GCBDMM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825888145 608247235 /nfs/dbraw/zinc/24/72/35/608247235.db2.gz OHXTYMOERCMZRY-UHFFFAOYSA-N -1 1 395.401 0.194 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3COCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826500087 608303736 /nfs/dbraw/zinc/30/37/36/608303736.db2.gz KPTGOTUMXZMBBG-QWRGUYRKSA-N -1 1 394.413 0.965 20 5 GCBDMM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825067031 608473386 /nfs/dbraw/zinc/47/33/86/608473386.db2.gz GNEGSBPBALOFGD-MRVPVSSYSA-N -1 1 384.374 0.649 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccsc2)c1-c1nn[n-]n1 ZINC000826500439 608568127 /nfs/dbraw/zinc/56/81/27/608568127.db2.gz YJVQFKCSYDISHK-SNVBAGLBSA-N -1 1 396.410 0.848 20 5 GCBDMM CCc1nn(C)c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825759495 608769372 /nfs/dbraw/zinc/76/93/72/608769372.db2.gz JZQZZFPSYVKUCE-UHFFFAOYSA-N -1 1 375.397 0.445 20 5 GCBDMM CCc1nn(C)c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825759495 608769375 /nfs/dbraw/zinc/76/93/75/608769375.db2.gz JZQZZFPSYVKUCE-UHFFFAOYSA-N -1 1 375.397 0.445 20 5 GCBDMM CCN(Cc1cn(C)nn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825439738 609399797 /nfs/dbraw/zinc/39/97/97/609399797.db2.gz MEPCBTNFLNVLPE-UHFFFAOYSA-N -1 1 393.389 0.114 20 5 GCBDMM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000725821100 638564439 /nfs/dbraw/zinc/56/44/39/638564439.db2.gz FUUCIYTXIWRUFD-UHFFFAOYSA-N -1 1 397.862 0.951 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)OC)c([N+](=O)[O-])n1 ZINC000754810092 640459789 /nfs/dbraw/zinc/45/97/89/640459789.db2.gz PGYDCTXMRBIQMY-VIFPVBQESA-N -1 1 395.463 0.231 20 5 GCBDMM NC(=O)C1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000757744733 640515962 /nfs/dbraw/zinc/51/59/62/640515962.db2.gz IOUAPKLREQIKCW-UHFFFAOYSA-N -1 1 382.167 0.793 20 5 GCBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(N)=O ZINC000758482670 640530552 /nfs/dbraw/zinc/53/05/52/640530552.db2.gz GYEPDXYIUWBTEG-ZETCQYMHSA-N -1 1 382.192 0.136 20 5 GCBDMM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776801998 641116763 /nfs/dbraw/zinc/11/67/63/641116763.db2.gz KWFHGVKHHHOGED-NEPJUHHUSA-N -1 1 378.378 0.833 20 5 GCBDMM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815012239 641815337 /nfs/dbraw/zinc/81/53/37/641815337.db2.gz IWZQCMJDEPJGDL-SECBINFHSA-N -1 1 380.829 0.911 20 5 GCBDMM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000815025525 641816649 /nfs/dbraw/zinc/81/66/49/641816649.db2.gz HWYWLFWLJANLFQ-LHLIQPBNSA-N -1 1 381.769 0.699 20 5 GCBDMM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000815025526 641816684 /nfs/dbraw/zinc/81/66/84/641816684.db2.gz HWYWLFWLJANLFQ-QUBYGPBYSA-N -1 1 381.769 0.699 20 5 GCBDMM NC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815027222 641816732 /nfs/dbraw/zinc/81/67/32/641816732.db2.gz AXQGPJCMFOFVMV-UHFFFAOYSA-N -1 1 381.769 0.700 20 5 GCBDMM O=C1CN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1 ZINC000815031854 641817406 /nfs/dbraw/zinc/81/74/06/641817406.db2.gz HNKZGRCUQCLKNV-UHFFFAOYSA-N -1 1 380.785 0.097 20 5 GCBDMM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815036326 641818089 /nfs/dbraw/zinc/81/80/89/641818089.db2.gz UZTVBOHAZVRNMI-RXMQYKEDSA-N -1 1 380.741 0.296 20 5 GCBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c(Cl)cc1Cl ZINC000841547661 642310327 /nfs/dbraw/zinc/31/03/27/642310327.db2.gz HQKZZJIZKHSSBY-SSDOTTSWSA-N -1 1 396.212 0.833 20 5 GCBDMM O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842322128 642330821 /nfs/dbraw/zinc/33/08/21/642330821.db2.gz SAHOPDRHUDGOTK-HTRCEHHLSA-N -1 1 394.159 0.827 20 5 GCBDMM O=C([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842335018 642331319 /nfs/dbraw/zinc/33/13/19/642331319.db2.gz HUFVCAYHVPZSNZ-RKDXNWHRSA-N -1 1 391.199 0.854 20 5 GCBDMM NC(=O)[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000848503567 642544204 /nfs/dbraw/zinc/54/42/04/642544204.db2.gz IJZFINTZKQLTEU-NSHDSACASA-N -1 1 384.197 0.824 20 5 GCBDMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849433420 642655176 /nfs/dbraw/zinc/65/51/76/642655176.db2.gz NCNLVQDFCYJENI-WCBMZHEXSA-N -1 1 384.819 0.339 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)c([N+](=O)[O-])n1 ZINC000849441818 642659193 /nfs/dbraw/zinc/65/91/93/642659193.db2.gz XQCLFABZYKVMCV-UHFFFAOYSA-N -1 1 394.353 0.067 20 5 GCBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000512460843 1192716522 /nfs/dbraw/zinc/71/65/22/1192716522.db2.gz WSJAODVGJTWWTB-ZYHUDNBSSA-N -1 1 390.418 0.448 20 5 GCBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000512460841 1192716545 /nfs/dbraw/zinc/71/65/45/1192716545.db2.gz WSJAODVGJTWWTB-JQWIXIFHSA-N -1 1 390.418 0.448 20 5 GCBDMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274945676 1184437654 /nfs/dbraw/zinc/43/76/54/1184437654.db2.gz GUVODLFOOOUYDQ-NSHDSACASA-N -1 1 394.384 0.569 20 5 GCBDMM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275140700 1184530342 /nfs/dbraw/zinc/53/03/42/1184530342.db2.gz PJEWDAANHMMHKL-LBPRGKRZSA-N -1 1 377.401 0.464 20 5 GCBDMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000276140347 1185600508 /nfs/dbraw/zinc/60/05/08/1185600508.db2.gz BIZWNAXMDXPSPO-UHFFFAOYSA-N -1 1 381.366 0.999 20 5 GCBDMM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O ZINC000548663339 1186394895 /nfs/dbraw/zinc/39/48/95/1186394895.db2.gz RXZQUGWBUGVNSV-LLVKDONJSA-N -1 1 394.413 0.680 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2c2nccn2C)c([N+](=O)[O-])n1 ZINC000431719961 1187640045 /nfs/dbraw/zinc/64/00/45/1187640045.db2.gz TYQFDAFSHNMFNV-JQWIXIFHSA-N -1 1 384.418 0.743 20 5 GCBDMM Cn1cc(CN2C[C@@H](F)C[C@H]2C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cn1 ZINC000548986077 1187660915 /nfs/dbraw/zinc/66/09/15/1187660915.db2.gz USZZGZUFMPFWEG-STQMWFEESA-N -1 1 398.420 0.614 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(OC)cc2)c([N+](=O)[O-])n1 ZINC000416561940 1189551375 /nfs/dbraw/zinc/55/13/75/1189551375.db2.gz VLGWZPQQQFXNJK-GFCCVEGCSA-N -1 1 384.414 0.874 20 5 GCBDMM COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1=O ZINC000436747884 1195033127 /nfs/dbraw/zinc/03/31/27/1195033127.db2.gz PLBQSFMUNHMABV-GFCCVEGCSA-N -1 1 380.401 0.209 20 5 GCBDMM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000516802631 1195099632 /nfs/dbraw/zinc/09/96/32/1195099632.db2.gz JREMADXBMRNIMA-SNVBAGLBSA-N -1 1 377.309 0.594 20 5 GCBDMM CN(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000437473893 1195114763 /nfs/dbraw/zinc/11/47/63/1195114763.db2.gz NFUKDMVSKHIQLG-UHFFFAOYSA-N -1 1 398.372 0.885 20 5 GCBDMM Cc1cc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n2ncnc2n1 ZINC000444853666 1196526244 /nfs/dbraw/zinc/52/62/44/1196526244.db2.gz FMIKYDNGNCCGHI-UHFFFAOYSA-N -1 1 384.356 0.404 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000445711619 1196587285 /nfs/dbraw/zinc/58/72/85/1196587285.db2.gz JKGCNQIADYDQQN-LBPRGKRZSA-N -1 1 377.386 0.997 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000533551329 1197459207 /nfs/dbraw/zinc/45/92/07/1197459207.db2.gz HRLSRBQHDZMMSI-VIFPVBQESA-N -1 1 389.336 0.986 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCC(=O)NCc2ccccc2)c([N+](=O)[O-])n1 ZINC000533634705 1197463378 /nfs/dbraw/zinc/46/33/78/1197463378.db2.gz LNJVPVWXYYELCS-UHFFFAOYSA-N -1 1 381.414 0.796 20 5 GCBDMM O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000508737420 1197567676 /nfs/dbraw/zinc/56/76/76/1197567676.db2.gz NBZBWPPHQUKUPF-UHFFFAOYSA-N -1 1 381.366 0.391 20 5 GCBDMM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031824753 1200113790 /nfs/dbraw/zinc/11/37/90/1200113790.db2.gz MKWIKTJYCGEFDC-UHFFFAOYSA-N -1 1 389.387 0.974 20 5 GCBDMM Cc1[nH]nc(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)c1[N+](=O)[O-] ZINC000609168632 1200716446 /nfs/dbraw/zinc/71/64/46/1200716446.db2.gz AHPLMJRUXAZSSM-UHFFFAOYSA-N -1 1 384.356 0.787 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCc2nnnn2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000509335790 1200853641 /nfs/dbraw/zinc/85/36/41/1200853641.db2.gz HCYMBWQDQLOZBW-UHFFFAOYSA-N -1 1 392.401 0.308 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c([N+](=O)[O-])n1 ZINC000611106416 1201216656 /nfs/dbraw/zinc/21/66/56/1201216656.db2.gz BVYVATMPUPJVGP-GXSJLCMTSA-N -1 1 397.417 0.017 20 5 GCBDMM COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000611215168 1201223869 /nfs/dbraw/zinc/22/38/69/1201223869.db2.gz RQIIBZGIESYIKV-LLVKDONJSA-N -1 1 389.372 0.253 20 5 GCBDMM CCOc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c([N+](=O)[O-])cc1OC ZINC000731854963 1201505262 /nfs/dbraw/zinc/50/52/62/1201505262.db2.gz NFPHVEHIJACVLW-CYBMUJFWSA-N -1 1 378.345 0.729 20 5 GCBDMM Cn1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000732089100 1201520027 /nfs/dbraw/zinc/52/00/27/1201520027.db2.gz BIEGUEZQHJBESK-ZDUSSCGKSA-N -1 1 384.356 0.722 20 5 GCBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769830789 1202075052 /nfs/dbraw/zinc/07/50/52/1202075052.db2.gz ABDGBYPPVOGVQW-UHFFFAOYSA-N -1 1 393.385 0.899 20 5 GCBDMM O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000787903247 1205406267 /nfs/dbraw/zinc/40/62/67/1205406267.db2.gz SBXPYADYXLKRHR-QWHCGFSZSA-N -1 1 389.397 0.918 20 5 GCBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nn[n-]n1 ZINC000773998517 1205859507 /nfs/dbraw/zinc/85/95/07/1205859507.db2.gz LWHLJANPFGDWQG-LLVKDONJSA-N -1 1 375.389 0.820 20 5 GCBDMM Cc1oc(NC(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)c(-c2nn[n-]n2)c1C ZINC000826342202 947982229 /nfs/dbraw/zinc/98/22/29/947982229.db2.gz AOZXBQYMGNZJDD-UHFFFAOYSA-N -1 1 390.316 0.514 20 5 GCBDMM CCN1CCN(c2cc(N(C)C(=O)COCC(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001589744428 950651622 /nfs/dbraw/zinc/65/16/22/950651622.db2.gz QAWGIKIJFJBQRR-UHFFFAOYSA-N -1 1 380.401 0.801 20 5 GCBDMM O=C([O-])[C@@]1(N2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC001330255663 961339704 /nfs/dbraw/zinc/33/97/04/961339704.db2.gz WIAIIXSQXOPREM-VDNIUXDYSA-N -1 1 375.381 0.996 20 5 GCBDMM Cn1cc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC001574458617 961532735 /nfs/dbraw/zinc/53/27/35/961532735.db2.gz VOTVFQPHCTXJOY-RKDXNWHRSA-N -1 1 379.295 0.424 20 5 GCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704145 969285931 /nfs/dbraw/zinc/28/59/31/969285931.db2.gz SWZIGIUWAAKMJZ-POYBYMJQSA-N -1 1 393.278 0.065 20 5 GCBDMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000852957874 969301953 /nfs/dbraw/zinc/30/19/53/969301953.db2.gz XWBAYJQTJNQEAR-CBAPKCEASA-N -1 1 378.263 0.659 20 5 GCBDMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000852957876 969302155 /nfs/dbraw/zinc/30/21/55/969302155.db2.gz XWBAYJQTJNQEAR-VXNVDRBHSA-N -1 1 378.263 0.659 20 5 GCBDMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001605970190 972976314 /nfs/dbraw/zinc/97/63/14/972976314.db2.gz MKMWRGHEFYTBKP-WCBMZHEXSA-N -1 1 390.274 0.726 20 5 GCBDMM O=C([O-])c1cn([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000516933071 974312041 /nfs/dbraw/zinc/31/20/41/974312041.db2.gz OWOCKRXDOYLHDY-UONOGXRCSA-N -1 1 391.384 0.961 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC000600665871 975005161 /nfs/dbraw/zinc/00/51/61/975005161.db2.gz ZHTNJIOHGFXCKA-PWSUYJOCSA-N -1 1 382.398 0.939 20 5 GCBDMM C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001594658757 986933168 /nfs/dbraw/zinc/93/31/68/986933168.db2.gz QBKNVQHQXKUQKV-PELKAZGASA-N -1 1 383.382 0.795 20 5 GCBDMM CN1CCN(CCN(CC(=O)[O-])C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001598617260 993911328 /nfs/dbraw/zinc/91/13/28/993911328.db2.gz WLGPJHXZKJXNJN-UHFFFAOYSA-N -1 1 382.392 0.437 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@H](O)CC(=O)[O-])c2)CC1 ZINC001598624703 994067459 /nfs/dbraw/zinc/06/74/59/994067459.db2.gz SEUVMTWXXWCCJU-GFCCVEGCSA-N -1 1 381.389 0.304 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@@H](O)CC(=O)[O-])c2)CC1 ZINC001598624705 994068376 /nfs/dbraw/zinc/06/83/76/994068376.db2.gz SEUVMTWXXWCCJU-LBPRGKRZSA-N -1 1 381.389 0.304 20 5 GCBDMM CN(C)S(=O)(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000286318807 530127877 /nfs/dbraw/zinc/12/78/77/530127877.db2.gz HJWBZDDOBQTDHO-MRVPVSSYSA-N -1 1 386.308 0.248 20 5 GCBDMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599476546 530164000 /nfs/dbraw/zinc/16/40/00/530164000.db2.gz ZIALAICJRRXKRY-UHFFFAOYSA-N -1 1 393.805 0.596 20 5 GCBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000611417352 530257132 /nfs/dbraw/zinc/25/71/32/530257132.db2.gz WVZYLBXBWQPXGL-QMMMGPOBSA-N -1 1 396.219 0.526 20 5 GCBDMM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038105205 530269988 /nfs/dbraw/zinc/26/99/88/530269988.db2.gz IUDSRYPZPKVHMB-ZETCQYMHSA-N -1 1 383.176 0.170 20 5 GCBDMM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000146661214 530304604 /nfs/dbraw/zinc/30/46/04/530304604.db2.gz KCIFDFYXXIIAHR-UHFFFAOYSA-N -1 1 377.806 0.775 20 5 GCBDMM CN1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000146863852 530305395 /nfs/dbraw/zinc/30/53/95/530305395.db2.gz SLYFJQIUFVRATR-UHFFFAOYSA-N -1 1 390.849 0.691 20 5 GCBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O ZINC000160482623 530736042 /nfs/dbraw/zinc/73/60/42/530736042.db2.gz HGUONANHUJALAE-MRVPVSSYSA-N -1 1 378.204 0.866 20 5 GCBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000038039640 530832719 /nfs/dbraw/zinc/83/27/19/530832719.db2.gz PCIDXKCIVPQFOO-QMMMGPOBSA-N -1 1 399.244 0.823 20 5 GCBDMM COCCNC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000416569134 530847255 /nfs/dbraw/zinc/84/72/55/530847255.db2.gz KVJBOPXEXGGRMH-UHFFFAOYSA-N -1 1 377.806 0.822 20 5 GCBDMM CS(=O)(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296047895 530855628 /nfs/dbraw/zinc/85/56/28/530855628.db2.gz TXFQIIIUFTXVPS-UHFFFAOYSA-N -1 1 392.242 0.729 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])n1 ZINC000533174460 530900484 /nfs/dbraw/zinc/90/04/84/530900484.db2.gz KPBCLOLHTDVOIY-ZETCQYMHSA-N -1 1 385.324 0.253 20 5 GCBDMM O=C1[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000533307163 530900596 /nfs/dbraw/zinc/90/05/96/530900596.db2.gz GCYXXFUEFFUXDU-MRVPVSSYSA-N -1 1 382.320 0.821 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])n1 ZINC000533632484 530901543 /nfs/dbraw/zinc/90/15/43/530901543.db2.gz KOSSSQQBBGIWDG-UHFFFAOYSA-N -1 1 388.427 0.693 20 5 GCBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000275801933 530909367 /nfs/dbraw/zinc/90/93/67/530909367.db2.gz PMWHPDLJIWQRBK-LHLIQPBNSA-N -1 1 397.203 0.558 20 5 GCBDMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594826600 530886078 /nfs/dbraw/zinc/88/60/78/530886078.db2.gz JQCGUSQFPHFCQA-WPRPVWTQSA-N -1 1 384.819 0.339 20 5 GCBDMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594826599 530886145 /nfs/dbraw/zinc/88/61/45/530886145.db2.gz JQCGUSQFPHFCQA-WCBMZHEXSA-N -1 1 384.819 0.339 20 5 GCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 ZINC000370543064 530887780 /nfs/dbraw/zinc/88/77/80/530887780.db2.gz WRCBTBFHUAGWOI-SECBINFHSA-N -1 1 395.484 0.891 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCS2(=O)=O ZINC000531556152 530896962 /nfs/dbraw/zinc/89/69/62/530896962.db2.gz BEQWBGQNLKDFHZ-UHFFFAOYSA-N -1 1 383.407 0.798 20 5 GCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(=O)c2cccs2)C(=O)[O-])n1 ZINC000600656882 530931368 /nfs/dbraw/zinc/93/13/68/530931368.db2.gz WOAFIGQHTFQPLK-ZETCQYMHSA-N -1 1 388.383 0.394 20 5 GCBDMM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000474397120 530925654 /nfs/dbraw/zinc/92/56/54/530925654.db2.gz PBNGZBDZDVWIGW-RISCZKNCSA-N -1 1 376.435 0.656 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576694458 531086630 /nfs/dbraw/zinc/08/66/30/531086630.db2.gz HQQOTGQQWUHMGE-NXEZZACHSA-N -1 1 378.432 0.129 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000821601373 599144469 /nfs/dbraw/zinc/14/44/69/599144469.db2.gz DHNKQWNEJNZTKX-UHFFFAOYSA-N -1 1 383.376 0.797 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nc2sccn2c1[N+](=O)[O-] ZINC000821601419 599144700 /nfs/dbraw/zinc/14/47/00/599144700.db2.gz GGVOHRTWGZWWJE-UHFFFAOYSA-N -1 1 389.405 0.858 20 5 GCBDMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822699326 607306175 /nfs/dbraw/zinc/30/61/75/607306175.db2.gz WBTKXSCKBTXITD-ZWNOBZJWSA-N -1 1 385.388 0.853 20 5 GCBDMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822699326 607306176 /nfs/dbraw/zinc/30/61/76/607306176.db2.gz WBTKXSCKBTXITD-ZWNOBZJWSA-N -1 1 385.388 0.853 20 5 GCBDMM CS(=O)(=O)c1cc(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000737173945 598381070 /nfs/dbraw/zinc/38/10/70/598381070.db2.gz PJFVERXCUYENPQ-UHFFFAOYSA-N -1 1 389.353 0.248 20 5 GCBDMM O=[N+]([O-])c1cnc(Sc2nnnn2C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738375375 598503173 /nfs/dbraw/zinc/50/31/73/598503173.db2.gz ZOAYVKRJQXROAG-UHFFFAOYSA-N -1 1 376.362 0.659 20 5 GCBDMM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737987124 599522139 /nfs/dbraw/zinc/52/21/39/599522139.db2.gz SBRKZDHNXIXBGA-UHFFFAOYSA-N -1 1 380.328 0.796 20 5 GCBDMM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737987124 599522142 /nfs/dbraw/zinc/52/21/42/599522142.db2.gz SBRKZDHNXIXBGA-UHFFFAOYSA-N -1 1 380.328 0.796 20 5 GCBDMM NC(=O)c1ccc(NCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000822885424 599625017 /nfs/dbraw/zinc/62/50/17/599625017.db2.gz OWOMHEKOQLJKJH-UHFFFAOYSA-N -1 1 398.339 0.538 20 5 GCBDMM NC(=O)c1ccc(NCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000822885424 599625018 /nfs/dbraw/zinc/62/50/18/599625018.db2.gz OWOMHEKOQLJKJH-UHFFFAOYSA-N -1 1 398.339 0.538 20 5 GCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000600869201 601098709 /nfs/dbraw/zinc/09/87/09/601098709.db2.gz LKXSRYDZBXDJLF-CYBMUJFWSA-N -1 1 392.412 0.722 20 5 GCBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000600870492 601104972 /nfs/dbraw/zinc/10/49/72/601104972.db2.gz URZPQKDEQKDQFZ-WCQYABFASA-N -1 1 396.448 0.835 20 5 GCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827362129 601122699 /nfs/dbraw/zinc/12/26/99/601122699.db2.gz IPXYUYPLESJXKL-GFCCVEGCSA-N -1 1 378.385 0.332 20 5 GCBDMM Cc1nc([C@@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000832990587 601214013 /nfs/dbraw/zinc/21/40/13/601214013.db2.gz DADJEPQDYSGHKX-ZDUSSCGKSA-N -1 1 390.356 0.414 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704576 601253181 /nfs/dbraw/zinc/25/31/81/601253181.db2.gz YOIWESBZBBWNPY-LBPRGKRZSA-N -1 1 394.428 0.691 20 5 GCBDMM NS(=O)(=O)c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826395167 607545019 /nfs/dbraw/zinc/54/50/19/607545019.db2.gz PERIIYJWEKNARD-UHFFFAOYSA-N -1 1 377.342 0.396 20 5 GCBDMM NS(=O)(=O)c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826395167 607545021 /nfs/dbraw/zinc/54/50/21/607545021.db2.gz PERIIYJWEKNARD-UHFFFAOYSA-N -1 1 377.342 0.396 20 5 GCBDMM COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826133018 607581736 /nfs/dbraw/zinc/58/17/36/607581736.db2.gz IIPCKJVXRBIYOR-VIFPVBQESA-N -1 1 382.358 0.101 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1-c1nn[n-]n1 ZINC000826500442 607589203 /nfs/dbraw/zinc/58/92/03/607589203.db2.gz YLMHBKVAAMMJGE-SNVBAGLBSA-N -1 1 394.413 0.965 20 5 GCBDMM Cn1cc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826360455 607592860 /nfs/dbraw/zinc/59/28/60/607592860.db2.gz KQPXCBDFONERPC-UHFFFAOYSA-N -1 1 378.374 0.029 20 5 GCBDMM CC(C)N1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000824296929 607603080 /nfs/dbraw/zinc/60/30/80/607603080.db2.gz MGGGPUJTUPTXTI-SECBINFHSA-N -1 1 395.401 0.063 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC000826500031 607623320 /nfs/dbraw/zinc/62/33/20/607623320.db2.gz IUWICGRAGCMKHZ-UHFFFAOYSA-N -1 1 376.354 0.959 20 5 GCBDMM CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825051587 607635917 /nfs/dbraw/zinc/63/59/17/607635917.db2.gz RUTOCMRYIBUMSP-XPTSAGLGSA-N -1 1 384.418 0.850 20 5 GCBDMM CSC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826228640 607642939 /nfs/dbraw/zinc/64/29/39/607642939.db2.gz VVZKVGQKDUYKAU-QMMMGPOBSA-N -1 1 388.431 0.167 20 5 GCBDMM CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@@H]2CCO[C@@H]21 ZINC000824790081 607643413 /nfs/dbraw/zinc/64/34/13/607643413.db2.gz KIEPVGSDWNEYGX-CKLFPEKLSA-N -1 1 394.413 0.867 20 5 GCBDMM CCC(CC)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825097324 607654325 /nfs/dbraw/zinc/65/43/25/607654325.db2.gz VGLAHNYKNYCQOL-UHFFFAOYSA-N -1 1 398.401 0.785 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCO[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826500039 607670300 /nfs/dbraw/zinc/67/03/00/607670300.db2.gz JCGZKQOHNXPALB-SNVBAGLBSA-N -1 1 398.401 0.249 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(F)cn2)c1-c1nn[n-]n1 ZINC000826500167 607674885 /nfs/dbraw/zinc/67/48/85/607674885.db2.gz NKJJOYFOWRURQE-UHFFFAOYSA-N -1 1 379.333 0.788 20 5 GCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824640539 607676505 /nfs/dbraw/zinc/67/65/05/607676505.db2.gz KLHUXOMQDAMDCY-QMMMGPOBSA-N -1 1 398.401 0.783 20 5 GCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826500814 607677479 /nfs/dbraw/zinc/67/74/79/607677479.db2.gz NBNGTVIVKKXQPW-UHFFFAOYSA-N -1 1 382.337 0.089 20 5 GCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826500814 607677480 /nfs/dbraw/zinc/67/74/80/607677480.db2.gz NBNGTVIVKKXQPW-UHFFFAOYSA-N -1 1 382.337 0.089 20 5 GCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826500754 607677528 /nfs/dbraw/zinc/67/75/28/607677528.db2.gz KYBJOEMKYIVQLN-UHFFFAOYSA-N -1 1 382.337 0.089 20 5 GCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826500652 607677535 /nfs/dbraw/zinc/67/75/35/607677535.db2.gz GSPROPIKSLJXSX-UHFFFAOYSA-N -1 1 398.792 0.603 20 5 GCBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826500652 607677537 /nfs/dbraw/zinc/67/75/37/607677537.db2.gz GSPROPIKSLJXSX-UHFFFAOYSA-N -1 1 398.792 0.603 20 5 GCBDMM CCC(=O)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825034907 607673352 /nfs/dbraw/zinc/67/33/52/607673352.db2.gz TXSKBCUILVJMKT-VIFPVBQESA-N -1 1 395.401 0.064 20 5 GCBDMM COCCCNC(=O)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821687934 606701127 /nfs/dbraw/zinc/70/11/27/606701127.db2.gz WMPZLHSHYNSEBY-UHFFFAOYSA-N -1 1 390.404 0.539 20 5 GCBDMM COCCCNC(=O)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821687934 606701129 /nfs/dbraw/zinc/70/11/29/606701129.db2.gz WMPZLHSHYNSEBY-UHFFFAOYSA-N -1 1 390.404 0.539 20 5 GCBDMM Cc1nc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000822449657 606719726 /nfs/dbraw/zinc/71/97/26/606719726.db2.gz IVLLCRZHVKBRRS-JTQLQIEISA-N -1 1 382.388 0.983 20 5 GCBDMM Cc1nc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000822449657 606719727 /nfs/dbraw/zinc/71/97/27/606719727.db2.gz IVLLCRZHVKBRRS-JTQLQIEISA-N -1 1 382.388 0.983 20 5 GCBDMM COC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821655918 606731313 /nfs/dbraw/zinc/73/13/13/606731313.db2.gz UEXAAWGTUDWDBJ-UHFFFAOYSA-N -1 1 396.385 0.349 20 5 GCBDMM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000819803886 606731892 /nfs/dbraw/zinc/73/18/92/606731892.db2.gz RFZDUGFARONESR-JTQLQIEISA-N -1 1 395.401 0.064 20 5 GCBDMM CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000819927901 606733478 /nfs/dbraw/zinc/73/34/78/606733478.db2.gz ACNTYFVYRGQUNA-UHFFFAOYSA-N -1 1 398.401 0.785 20 5 GCBDMM CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820995733 606734121 /nfs/dbraw/zinc/73/41/21/606734121.db2.gz WRMGNZKACCXANL-VHSXEESVSA-N -1 1 382.402 0.963 20 5 GCBDMM CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820995732 606734174 /nfs/dbraw/zinc/73/41/74/606734174.db2.gz WRMGNZKACCXANL-UWVGGRQHSA-N -1 1 382.402 0.963 20 5 GCBDMM COC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821683430 606734610 /nfs/dbraw/zinc/73/46/10/606734610.db2.gz AKSHSDMXAGDZQP-JTQLQIEISA-N -1 1 382.402 0.822 20 5 GCBDMM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821655283 606736969 /nfs/dbraw/zinc/73/69/69/606736969.db2.gz IQDCOIAIEUVMEB-SNVBAGLBSA-N -1 1 396.385 0.491 20 5 GCBDMM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821654077 606736993 /nfs/dbraw/zinc/73/69/93/606736993.db2.gz SQIZVJUYOPOUNR-AWEZNQCLSA-N -1 1 396.385 0.349 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823619752 606789447 /nfs/dbraw/zinc/78/94/47/606789447.db2.gz AOOWMBVPQZIFQU-JTQLQIEISA-N -1 1 384.360 0.277 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823619752 606789449 /nfs/dbraw/zinc/78/94/49/606789449.db2.gz AOOWMBVPQZIFQU-JTQLQIEISA-N -1 1 384.360 0.277 20 5 GCBDMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cc([N+](=O)[O-])ccc2Cl)n(C)c1=O ZINC000822600720 606801753 /nfs/dbraw/zinc/80/17/53/606801753.db2.gz QWFJUJRXQXXDAP-UHFFFAOYSA-N -1 1 392.763 0.438 20 5 GCBDMM Cc1cnc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000822394934 606808048 /nfs/dbraw/zinc/80/80/48/606808048.db2.gz LFKNYYOEYOQVNN-LLVKDONJSA-N -1 1 382.388 0.983 20 5 GCBDMM Cc1cnc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000822394934 606808049 /nfs/dbraw/zinc/80/80/49/606808049.db2.gz LFKNYYOEYOQVNN-LLVKDONJSA-N -1 1 382.388 0.983 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820788449 606809154 /nfs/dbraw/zinc/80/91/54/606809154.db2.gz HHQSCSDIDWICPF-JTQLQIEISA-N -1 1 396.371 0.311 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820788449 606809155 /nfs/dbraw/zinc/80/91/55/606809155.db2.gz HHQSCSDIDWICPF-JTQLQIEISA-N -1 1 396.371 0.311 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000820789196 606819975 /nfs/dbraw/zinc/81/99/75/606819975.db2.gz XMJBGHCVIFDIRG-VIFPVBQESA-N -1 1 384.360 0.244 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000820789196 606819976 /nfs/dbraw/zinc/81/99/76/606819976.db2.gz XMJBGHCVIFDIRG-VIFPVBQESA-N -1 1 384.360 0.244 20 5 GCBDMM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118840 607025034 /nfs/dbraw/zinc/02/50/34/607025034.db2.gz SFYZNAHZNHQHGA-UHFFFAOYSA-N -1 1 388.325 0.778 20 5 GCBDMM O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118840 607025036 /nfs/dbraw/zinc/02/50/36/607025036.db2.gz SFYZNAHZNHQHGA-UHFFFAOYSA-N -1 1 388.325 0.778 20 5 GCBDMM NS(=O)(=O)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822899346 607167669 /nfs/dbraw/zinc/16/76/69/607167669.db2.gz GWUNCWRZGOYNLE-UHFFFAOYSA-N -1 1 376.358 0.429 20 5 GCBDMM NS(=O)(=O)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822899346 607167670 /nfs/dbraw/zinc/16/76/70/607167670.db2.gz GWUNCWRZGOYNLE-UHFFFAOYSA-N -1 1 376.358 0.429 20 5 GCBDMM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908399 607853561 /nfs/dbraw/zinc/85/35/61/607853561.db2.gz HHUJUTZSOVZEOA-MWLCHTKSSA-N -1 1 382.402 0.556 20 5 GCBDMM C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824677122 607970841 /nfs/dbraw/zinc/97/08/41/607970841.db2.gz BNNINXPUCMFLSG-VHSXEESVSA-N -1 1 382.402 0.699 20 5 GCBDMM C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824677120 607970933 /nfs/dbraw/zinc/97/09/33/607970933.db2.gz BNNINXPUCMFLSG-NXEZZACHSA-N -1 1 382.402 0.699 20 5 GCBDMM O=C([O-])CCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826461479 608010717 /nfs/dbraw/zinc/01/07/17/608010717.db2.gz WPMCZZWOCYRDEX-UHFFFAOYSA-N -1 1 384.374 0.698 20 5 GCBDMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826425040 608013716 /nfs/dbraw/zinc/01/37/16/608013716.db2.gz NXLHLBHGGJTDOL-UHFFFAOYSA-N -1 1 383.372 0.320 20 5 GCBDMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826425040 608013717 /nfs/dbraw/zinc/01/37/17/608013717.db2.gz NXLHLBHGGJTDOL-UHFFFAOYSA-N -1 1 383.372 0.320 20 5 GCBDMM C[C@@]1(O)CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@](C)(O)C3)c2)C1 ZINC000824844517 608097634 /nfs/dbraw/zinc/09/76/34/608097634.db2.gz XPGHLBDGFMXBRK-SJORKVTESA-N -1 1 389.416 0.697 20 5 GCBDMM C[C@@]1(O)CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@](C)(O)C3)c2)C1 ZINC000824844517 608097635 /nfs/dbraw/zinc/09/76/35/608097635.db2.gz XPGHLBDGFMXBRK-SJORKVTESA-N -1 1 389.416 0.697 20 5 GCBDMM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825486204 608127390 /nfs/dbraw/zinc/12/73/90/608127390.db2.gz OAXNRXFDIINLDL-RKDXNWHRSA-N -1 1 398.401 0.641 20 5 GCBDMM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426866 608163939 /nfs/dbraw/zinc/16/39/39/608163939.db2.gz YDPAVVPUUXVWQW-GXFFZTMASA-N -1 1 390.381 0.661 20 5 GCBDMM O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426866 608163941 /nfs/dbraw/zinc/16/39/41/608163941.db2.gz YDPAVVPUUXVWQW-GXFFZTMASA-N -1 1 390.381 0.661 20 5 GCBDMM Cc1oc(NC(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826342389 608255672 /nfs/dbraw/zinc/25/56/72/608255672.db2.gz ILDZHQIHOAOKDJ-UHFFFAOYSA-N -1 1 390.316 0.514 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826500086 608303969 /nfs/dbraw/zinc/30/39/69/608303969.db2.gz KPTGOTUMXZMBBG-MNOVXSKESA-N -1 1 394.413 0.965 20 5 GCBDMM CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826146442 608425045 /nfs/dbraw/zinc/42/50/45/608425045.db2.gz WCJBIUHRQNVLGL-KOLCDFICSA-N -1 1 382.402 0.868 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3C[C@H](O)[C@@H](C)C3)c2)C[C@@H]1O ZINC000824994928 608554926 /nfs/dbraw/zinc/55/49/26/608554926.db2.gz XMQDYZWJXNPTCZ-QPNXVFALSA-N -1 1 389.416 0.409 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3C[C@H](O)[C@@H](C)C3)c2)C[C@@H]1O ZINC000824994928 608554927 /nfs/dbraw/zinc/55/49/27/608554927.db2.gz XMQDYZWJXNPTCZ-QPNXVFALSA-N -1 1 389.416 0.409 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000826356971 609393521 /nfs/dbraw/zinc/39/35/21/609393521.db2.gz MOWXNPXGCLTHFW-UHFFFAOYSA-N -1 1 387.316 0.988 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000826356971 609393523 /nfs/dbraw/zinc/39/35/23/609393523.db2.gz MOWXNPXGCLTHFW-UHFFFAOYSA-N -1 1 387.316 0.988 20 5 GCBDMM CC[C@](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)(C(N)=O)C(C)C ZINC000825149527 609401568 /nfs/dbraw/zinc/40/15/68/609401568.db2.gz ZPLPYYSCSUEOFX-CQSZACIVSA-N -1 1 397.417 0.343 20 5 GCBDMM Cc1nn(C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1C ZINC000826334528 609491151 /nfs/dbraw/zinc/49/11/51/609491151.db2.gz YSXAJCXVXZEUQL-LLVKDONJSA-N -1 1 387.356 0.388 20 5 GCBDMM CN(C)C(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])O1 ZINC000774784427 640894937 /nfs/dbraw/zinc/89/49/37/640894937.db2.gz NTRGNQQXCGARRL-ONGXEEELSA-N -1 1 375.378 0.648 20 5 GCBDMM CN(C)C(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])O1 ZINC000774784424 640895007 /nfs/dbraw/zinc/89/50/07/640895007.db2.gz NTRGNQQXCGARRL-KOLCDFICSA-N -1 1 375.378 0.648 20 5 GCBDMM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778133830 641151946 /nfs/dbraw/zinc/15/19/46/641151946.db2.gz CQMRJZIONOMFPZ-UHFFFAOYSA-N -1 1 383.835 0.418 20 5 GCBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC ZINC000814982810 641814783 /nfs/dbraw/zinc/81/47/83/641814783.db2.gz PFTODHILHXEJIA-QMMMGPOBSA-N -1 1 398.752 0.770 20 5 GCBDMM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000815025527 641816785 /nfs/dbraw/zinc/81/67/85/641816785.db2.gz HWYWLFWLJANLFQ-WKEGUHRASA-N -1 1 381.769 0.699 20 5 GCBDMM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032999 641817514 /nfs/dbraw/zinc/81/75/14/641817514.db2.gz RPBSILCHDUWCNN-LBPRGKRZSA-N -1 1 384.769 0.980 20 5 GCBDMM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O ZINC000819911905 641944932 /nfs/dbraw/zinc/94/49/32/641944932.db2.gz LHJZMGJMCCTAJM-QMMMGPOBSA-N -1 1 379.753 0.813 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nccs2)c1-c1nn[n-]n1 ZINC000826500421 642059179 /nfs/dbraw/zinc/05/91/79/642059179.db2.gz YAFWHKSWPYQJRH-UHFFFAOYSA-N -1 1 381.399 0.752 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000841547242 642310338 /nfs/dbraw/zinc/31/03/38/642310338.db2.gz AOEZGTAPNOROQC-ZETCQYMHSA-N -1 1 379.757 0.318 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)cc1Cl ZINC000841547304 642310363 /nfs/dbraw/zinc/31/03/63/642310363.db2.gz CAIJGFZSLOYRLT-SSDOTTSWSA-N -1 1 379.757 0.318 20 5 GCBDMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CN1 ZINC000841554066 642312370 /nfs/dbraw/zinc/31/23/70/642312370.db2.gz JEOQTSSKYYFXBZ-ZCFIWIBFSA-N -1 1 396.194 0.911 20 5 GCBDMM COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842329000 642330618 /nfs/dbraw/zinc/33/06/18/642330618.db2.gz RKWBSRGJZFXSIM-NXEZZACHSA-N -1 1 378.790 0.835 20 5 GCBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000549846504 1192896888 /nfs/dbraw/zinc/89/68/88/1192896888.db2.gz JYJRCUTWWHKMRD-NSHDSACASA-N -1 1 375.341 0.819 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c([N+](=O)[O-])n1 ZINC000573640066 1192910142 /nfs/dbraw/zinc/91/01/42/1192910142.db2.gz NSOSPSKEWHVVQC-YNEHKIRRSA-N -1 1 385.446 0.737 20 5 GCBDMM C[C@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1nn[n-]n1 ZINC000274777431 1184297216 /nfs/dbraw/zinc/29/72/16/1184297216.db2.gz NFSTUWDFYMYUEG-LLVKDONJSA-N -1 1 375.389 0.820 20 5 GCBDMM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274866629 1184407625 /nfs/dbraw/zinc/40/76/25/1184407625.db2.gz CKARAGWKFSTCQG-CYBMUJFWSA-N -1 1 391.428 0.854 20 5 GCBDMM Cn1ncc2c1ncnc2N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274876154 1184413694 /nfs/dbraw/zinc/41/36/94/1184413694.db2.gz GLEOWMPHLFPYTF-UHFFFAOYSA-N -1 1 384.356 0.335 20 5 GCBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000610269929 1184715532 /nfs/dbraw/zinc/71/55/32/1184715532.db2.gz RVQGRDKMJRMCPR-ONGXEEELSA-N -1 1 380.386 0.196 20 5 GCBDMM CCc1nc(CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000547897180 1184737611 /nfs/dbraw/zinc/73/76/11/1184737611.db2.gz TZLHWWUAZZKSRM-UHFFFAOYSA-N -1 1 383.386 0.945 20 5 GCBDMM CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477036725 1185549072 /nfs/dbraw/zinc/54/90/72/1185549072.db2.gz UOYZZWOGMWBHHU-QMMMGPOBSA-N -1 1 395.401 0.358 20 5 GCBDMM Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])n1 ZINC000548203734 1185881676 /nfs/dbraw/zinc/88/16/76/1185881676.db2.gz VZRSDDWURWKNDN-LLVKDONJSA-N -1 1 386.361 0.979 20 5 GCBDMM COC(=O)c1cnc([N-]c2cnn(CC(=O)N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000276814556 1186084430 /nfs/dbraw/zinc/08/44/30/1186084430.db2.gz SMYUNULKTJOESN-UHFFFAOYSA-N -1 1 390.356 0.575 20 5 GCBDMM C[C@@H](CN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000478589782 1186522708 /nfs/dbraw/zinc/52/27/08/1186522708.db2.gz FJSSAUHEPQHQNS-QMMMGPOBSA-N -1 1 381.780 0.753 20 5 GCBDMM CCC[C@H](NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000611847947 1186657701 /nfs/dbraw/zinc/65/77/01/1186657701.db2.gz XCJMMAGXJLHTFI-JTQLQIEISA-N -1 1 377.361 0.504 20 5 GCBDMM COc1c(F)cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000580024706 1187658269 /nfs/dbraw/zinc/65/82/69/1187658269.db2.gz VQWUXAKDIKVILY-JTQLQIEISA-N -1 1 388.333 0.440 20 5 GCBDMM CCOC(=O)c1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1 ZINC000377600416 1188086010 /nfs/dbraw/zinc/08/60/10/1188086010.db2.gz MOPIDWKIIFBOGC-GFCCVEGCSA-N -1 1 376.329 0.498 20 5 GCBDMM Cn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000431923393 1189617242 /nfs/dbraw/zinc/61/72/42/1189617242.db2.gz NALRWGAGDFVGOB-UHFFFAOYSA-N -1 1 382.398 0.206 20 5 GCBDMM CCc1nc(S(=O)(=O)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n[n-]1 ZINC000424204756 1194805302 /nfs/dbraw/zinc/80/53/02/1194805302.db2.gz LGXXTTMXXYBJRN-UHFFFAOYSA-N -1 1 383.342 0.416 20 5 GCBDMM CCOC(=O)CNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000435704933 1194957918 /nfs/dbraw/zinc/95/79/18/1194957918.db2.gz IKNUBGWHGXOYBJ-UHFFFAOYSA-N -1 1 380.357 0.227 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)N2CCOCC2)c([N+](=O)[O-])n1 ZINC000435800265 1194966072 /nfs/dbraw/zinc/96/60/72/1194966072.db2.gz SCGPRDAUQXPBDJ-CYBMUJFWSA-N -1 1 389.478 0.836 20 5 GCBDMM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])cc1 ZINC000436945575 1195049707 /nfs/dbraw/zinc/04/97/07/1195049707.db2.gz UFTWLZADKOMPBR-UHFFFAOYSA-N -1 1 393.377 0.578 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN(C)C)c([N+](=O)[O-])n1 ZINC000446810998 1196672513 /nfs/dbraw/zinc/67/25/13/1196672513.db2.gz UUIAXROADAKTRB-UHFFFAOYSA-N -1 1 396.429 0.773 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)COC)c2)c([N+](=O)[O-])n1 ZINC000532853837 1197416247 /nfs/dbraw/zinc/41/62/47/1197416247.db2.gz OAOWMTOFOXPNKN-UHFFFAOYSA-N -1 1 397.413 0.875 20 5 GCBDMM C[C@H](CN(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000273550019 1199029129 /nfs/dbraw/zinc/02/91/29/1199029129.db2.gz VLFRPOKAFUUFMZ-MRVPVSSYSA-N -1 1 379.402 0.561 20 5 GCBDMM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000273586304 1199035687 /nfs/dbraw/zinc/03/56/87/1199035687.db2.gz HVMGWCHGESJLFS-ZDUSSCGKSA-N -1 1 393.425 0.862 20 5 GCBDMM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000273727859 1199063438 /nfs/dbraw/zinc/06/34/38/1199063438.db2.gz SSGZOXPAGGXPKN-CYBMUJFWSA-N -1 1 393.425 0.943 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])n1 ZINC000611105645 1201216792 /nfs/dbraw/zinc/21/67/92/1201216792.db2.gz WJUHDYHFAIARLE-UHFFFAOYSA-N -1 1 393.425 0.674 20 5 GCBDMM CCOc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c([N+](=O)[O-])cc1OC ZINC000731854964 1201505501 /nfs/dbraw/zinc/50/55/01/1201505501.db2.gz NFPHVEHIJACVLW-ZDUSSCGKSA-N -1 1 378.345 0.729 20 5 GCBDMM O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731854799 1201505552 /nfs/dbraw/zinc/50/55/52/1201505552.db2.gz FVGYZMOJJQSSFG-HNNXBMFYSA-N -1 1 387.400 0.924 20 5 GCBDMM Cn1[n-]cc2c(=NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ccnc1-2 ZINC000806488189 1205558375 /nfs/dbraw/zinc/55/83/75/1205558375.db2.gz CYPKVRTXVQMRKM-UHFFFAOYSA-N -1 1 382.384 0.999 20 5 GCBDMM CNC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000808047138 1205598599 /nfs/dbraw/zinc/59/85/99/1205598599.db2.gz GJUHXZIUPCFXFJ-HNNXBMFYSA-N -1 1 394.409 0.914 20 5 GCBDMM COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2=O)cc1 ZINC000808146677 1205600389 /nfs/dbraw/zinc/60/03/89/1205600389.db2.gz BQMGCEDFCPPEQZ-MRXNPFEDSA-N -1 1 388.340 0.747 20 5 GCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001176134630 1205743769 /nfs/dbraw/zinc/74/37/69/1205743769.db2.gz RQOFAOJFJAQGKD-UHFFFAOYSA-N -1 1 397.185 0.914 20 5 GCBDMM CCCc1n[nH]c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC000593920387 953757000 /nfs/dbraw/zinc/75/70/00/953757000.db2.gz DWLFDARBTMFALZ-SNVBAGLBSA-N -1 1 393.400 0.808 20 5 GCBDMM CCCc1n[nH]c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC000593920386 953757027 /nfs/dbraw/zinc/75/70/27/953757027.db2.gz DWLFDARBTMFALZ-JTQLQIEISA-N -1 1 393.400 0.808 20 5 GCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)CC1 ZINC001593787220 954720053 /nfs/dbraw/zinc/72/00/53/954720053.db2.gz UZOGZSYKWCDRBP-KRWDZBQOSA-N -1 1 393.400 0.712 20 5 GCBDMM CS(=O)(=O)c1cc(C(=O)NC2CCN(CC(=O)[O-])CC2)cc([N+](=O)[O-])c1 ZINC001594172498 959013347 /nfs/dbraw/zinc/01/33/47/959013347.db2.gz USTXYIPMUZWWNG-UHFFFAOYSA-N -1 1 385.398 0.277 20 5 GCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000827362528 978956682 /nfs/dbraw/zinc/95/66/82/978956682.db2.gz PGAIREYPQGQIOM-GFCCVEGCSA-N -1 1 379.369 0.794 20 5 GCBDMM CCOc1cc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001597042045 986489717 /nfs/dbraw/zinc/48/97/17/986489717.db2.gz HGAFTVPOEWCRAF-UHFFFAOYSA-N -1 1 380.401 0.706 20 5 GCBDMM CN1CCN(CC2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C(=O)[O-])C2)CC1 ZINC001598615360 993868955 /nfs/dbraw/zinc/86/89/55/993868955.db2.gz CYSCRWAKBCFVLD-UHFFFAOYSA-N -1 1 398.441 0.161 20 5 GCBDMM CN(C)S(=O)(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000286318810 530127976 /nfs/dbraw/zinc/12/79/76/530127976.db2.gz HJWBZDDOBQTDHO-QMMMGPOBSA-N -1 1 386.308 0.248 20 5 GCBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)O ZINC000274332009 530165526 /nfs/dbraw/zinc/16/55/26/530165526.db2.gz FZWAUHKUBRUOQX-QUBYGPBYSA-N -1 1 397.203 0.558 20 5 GCBDMM NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610211867 530210116 /nfs/dbraw/zinc/21/01/16/530210116.db2.gz CXHRPMFHHJUODQ-UHFFFAOYSA-N -1 1 386.411 0.158 20 5 GCBDMM CNC(=O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285132567 530218644 /nfs/dbraw/zinc/21/86/44/530218644.db2.gz JLASPSOVHMPJFL-UHFFFAOYSA-N -1 1 384.183 0.911 20 5 GCBDMM CCc1nn(C)c(NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1[N+](=O)[O-] ZINC000514812866 530273236 /nfs/dbraw/zinc/27/32/36/530273236.db2.gz VNYWFVNVPIJFEH-UHFFFAOYSA-N -1 1 390.447 0.752 20 5 GCBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000263671699 530255011 /nfs/dbraw/zinc/25/50/11/530255011.db2.gz GSYXWSUCSLKGAC-MRVPVSSYSA-N -1 1 380.762 0.631 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000551992019 530255220 /nfs/dbraw/zinc/25/52/20/530255220.db2.gz JXDPSHRQQZLOIT-SNVBAGLBSA-N -1 1 390.443 0.225 20 5 GCBDMM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000264039877 530257120 /nfs/dbraw/zinc/25/71/20/530257120.db2.gz DFIOQDAMEWIWCM-MRVPVSSYSA-N -1 1 378.204 0.866 20 5 GCBDMM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290692292 530369185 /nfs/dbraw/zinc/36/91/85/530369185.db2.gz HXERJYWCEOVPIP-UHFFFAOYSA-N -1 1 397.196 0.732 20 5 GCBDMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[n-]1 ZINC000541953773 530495399 /nfs/dbraw/zinc/49/53/99/530495399.db2.gz WRGXDWVAYYPSBX-UHFFFAOYSA-N -1 1 377.285 0.970 20 5 GCBDMM CS(=O)(=O)c1nc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n[n-]1 ZINC000541953773 530495400 /nfs/dbraw/zinc/49/54/00/530495400.db2.gz WRGXDWVAYYPSBX-UHFFFAOYSA-N -1 1 377.285 0.970 20 5 GCBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])OC ZINC000291821902 530501842 /nfs/dbraw/zinc/50/18/42/530501842.db2.gz BGTUFKKZIFRAQK-VIFPVBQESA-N -1 1 397.203 0.824 20 5 GCBDMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000272855537 530576564 /nfs/dbraw/zinc/57/65/64/530576564.db2.gz WKAAJCBRNHNPCK-UHFFFAOYSA-N -1 1 395.235 0.907 20 5 GCBDMM CN(CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000146778621 530824868 /nfs/dbraw/zinc/82/48/68/530824868.db2.gz OREDRHWFWXSHJG-UHFFFAOYSA-N -1 1 385.851 0.808 20 5 GCBDMM NC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000594494329 530867411 /nfs/dbraw/zinc/86/74/11/530867411.db2.gz WHAHLFGZWCQEBZ-LLVKDONJSA-N -1 1 394.203 0.280 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCNS(=O)(=O)c1cccs1 ZINC000533467928 530900516 /nfs/dbraw/zinc/90/05/16/530900516.db2.gz AIENHMKNLPBFKX-UHFFFAOYSA-N -1 1 392.440 0.308 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])n1 ZINC000533174459 530900634 /nfs/dbraw/zinc/90/06/34/530900634.db2.gz KPBCLOLHTDVOIY-SSDOTTSWSA-N -1 1 385.324 0.253 20 5 GCBDMM CC(C)=CCSC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600656036 530931235 /nfs/dbraw/zinc/93/12/35/530931235.db2.gz VLNVHWMSEGYLDX-VIFPVBQESA-N -1 1 378.432 0.759 20 5 GCBDMM Cc1nc([C@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000600665452 530931331 /nfs/dbraw/zinc/93/13/31/530931331.db2.gz RNXRRIYKLDXYSG-LURJTMIESA-N -1 1 375.388 0.831 20 5 GCBDMM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000277085791 530913225 /nfs/dbraw/zinc/91/32/25/530913225.db2.gz RGHIQNMLDUQBGO-SECBINFHSA-N -1 1 378.334 0.507 20 5 GCBDMM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000284728583 530925770 /nfs/dbraw/zinc/92/57/70/530925770.db2.gz RWQKAWVYAYYJMQ-UHFFFAOYSA-N -1 1 389.777 0.605 20 5 GCBDMM CS(=O)(=O)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[n-]1 ZINC000495811852 530938876 /nfs/dbraw/zinc/93/88/76/530938876.db2.gz UATHMAGGVSBEOV-UHFFFAOYSA-N -1 1 377.285 0.970 20 5 GCBDMM CS(=O)(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n[n-]1 ZINC000495811852 530938882 /nfs/dbraw/zinc/93/88/82/530938882.db2.gz UATHMAGGVSBEOV-UHFFFAOYSA-N -1 1 377.285 0.970 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])n1 ZINC000507918963 530941885 /nfs/dbraw/zinc/94/18/85/530941885.db2.gz FOLAVTOHUQBFDS-UHFFFAOYSA-N -1 1 380.448 0.304 20 5 GCBDMM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000272060179 530946653 /nfs/dbraw/zinc/94/66/53/530946653.db2.gz CBPFQCFWHVJMEC-ZETCQYMHSA-N -1 1 383.176 0.170 20 5 GCBDMM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269860826 530950818 /nfs/dbraw/zinc/95/08/18/530950818.db2.gz JBDYOHZJGQIPCT-VIFPVBQESA-N -1 1 397.862 0.808 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000486858397 530955411 /nfs/dbraw/zinc/95/54/11/530955411.db2.gz NZCSPXORGSTBGC-UHFFFAOYSA-N -1 1 389.415 0.088 20 5 GCBDMM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737483266 599201109 /nfs/dbraw/zinc/20/11/09/599201109.db2.gz SYNCIRMHJSEYOY-UHFFFAOYSA-N -1 1 381.312 0.931 20 5 GCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737776316 598513131 /nfs/dbraw/zinc/51/31/31/598513131.db2.gz LBVAOWKWJKYPAK-UHFFFAOYSA-N -1 1 391.735 0.277 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823651155 599343960 /nfs/dbraw/zinc/34/39/60/599343960.db2.gz HAEXXWFTBDNLHW-UHFFFAOYSA-N -1 1 379.333 0.788 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCC(O)CC2)cc1N1CCC(O)CC1 ZINC000738358488 599363343 /nfs/dbraw/zinc/36/33/43/599363343.db2.gz MMCRXSVBLLFBOX-UHFFFAOYSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCC(O)CC2)cc1N1CCC(O)CC1 ZINC000738358488 599363345 /nfs/dbraw/zinc/36/33/45/599363345.db2.gz MMCRXSVBLLFBOX-UHFFFAOYSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCC[C@H](O)C2)cc1N1CCC[C@@H](O)C1 ZINC000738359478 599363349 /nfs/dbraw/zinc/36/33/49/599363349.db2.gz RUUZIKLSVOKSJZ-QWHCGFSZSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCC[C@H](O)C2)cc1N1CCC[C@@H](O)C1 ZINC000738359478 599363351 /nfs/dbraw/zinc/36/33/51/599363351.db2.gz RUUZIKLSVOKSJZ-QWHCGFSZSA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCC[C@H](O)C2)cc1N1CCC[C@H](O)C1 ZINC000738359480 599363354 /nfs/dbraw/zinc/36/33/54/599363354.db2.gz RUUZIKLSVOKSJZ-STQMWFEESA-N -1 1 389.416 0.697 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCC[C@H](O)C2)cc1N1CCC[C@H](O)C1 ZINC000738359480 599363356 /nfs/dbraw/zinc/36/33/56/599363356.db2.gz RUUZIKLSVOKSJZ-STQMWFEESA-N -1 1 389.416 0.697 20 5 GCBDMM C[C@H](NC(=O)c1ccc(NC[C@H]2CN(C)CCN2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655904 600240622 /nfs/dbraw/zinc/24/06/22/600240622.db2.gz GQXJCSQTOQKUOT-AAEUAGOBSA-N -1 1 379.417 0.455 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(NC[C@H](C)N2CCN(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655489 600433118 /nfs/dbraw/zinc/43/31/18/600433118.db2.gz DGCWSDZBFYKOMG-QWHCGFSZSA-N -1 1 393.444 0.846 20 5 GCBDMM C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824040004 607449058 /nfs/dbraw/zinc/44/90/58/607449058.db2.gz KLCAIMLUAMMCNY-NSHDSACASA-N -1 1 386.416 0.564 20 5 GCBDMM C[C@H](C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000824040003 607449259 /nfs/dbraw/zinc/44/92/59/607449259.db2.gz KLCAIMLUAMMCNY-LLVKDONJSA-N -1 1 386.416 0.564 20 5 GCBDMM O=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)N1CCCC1 ZINC000826411296 607450540 /nfs/dbraw/zinc/45/05/40/607450540.db2.gz SQDJBNVWGLQSHE-UHFFFAOYSA-N -1 1 386.416 0.519 20 5 GCBDMM CC[C@@H](O)CN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736926774 600670855 /nfs/dbraw/zinc/67/08/55/600670855.db2.gz IJDFZOZQVHMNMN-TZMCWYRMSA-N -1 1 394.428 0.691 20 5 GCBDMM CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1C ZINC000484541833 600690200 /nfs/dbraw/zinc/69/02/00/600690200.db2.gz PPEMQYXWJYLBHU-UHFFFAOYSA-N -1 1 382.354 0.792 20 5 GCBDMM C[C@@H](O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000827802246 600812705 /nfs/dbraw/zinc/81/27/05/600812705.db2.gz FDICLYUJVPDAPI-VXGBXAGGSA-N -1 1 380.401 0.301 20 5 GCBDMM CC[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000829163340 600812721 /nfs/dbraw/zinc/81/27/21/600812721.db2.gz XEZCHZWXKVBSQF-AWEZNQCLSA-N -1 1 394.428 0.956 20 5 GCBDMM C[C@H](O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000827802242 600812857 /nfs/dbraw/zinc/81/28/57/600812857.db2.gz FDICLYUJVPDAPI-RYUDHWBXSA-N -1 1 380.401 0.301 20 5 GCBDMM CC[C@@H](CO)N1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828890267 600824764 /nfs/dbraw/zinc/82/47/64/600824764.db2.gz AEEQEWBLJRGTTM-ZDUSSCGKSA-N -1 1 380.401 0.302 20 5 GCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000827374862 601104478 /nfs/dbraw/zinc/10/44/78/601104478.db2.gz NKKABFFKYHPSEW-LBPRGKRZSA-N -1 1 388.384 0.797 20 5 GCBDMM Cc1nc([C@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000832990586 601214082 /nfs/dbraw/zinc/21/40/82/601214082.db2.gz DADJEPQDYSGHKX-CYBMUJFWSA-N -1 1 390.356 0.414 20 5 GCBDMM CC(C)(CO)N1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000826616440 601253286 /nfs/dbraw/zinc/25/32/86/601253286.db2.gz GNEDPXGDISDUIU-UHFFFAOYSA-N -1 1 380.401 0.302 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ncccc3C2)c1-c1nn[n-]n1 ZINC000826499984 607564884 /nfs/dbraw/zinc/56/48/84/607564884.db2.gz HGSIESGYXYHYBT-UHFFFAOYSA-N -1 1 387.381 0.917 20 5 GCBDMM O=C1CCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826480609 607582950 /nfs/dbraw/zinc/58/29/50/607582950.db2.gz JJYOVETVNDHPKL-UHFFFAOYSA-N -1 1 395.401 0.066 20 5 GCBDMM CCC[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825233066 607583182 /nfs/dbraw/zinc/58/31/82/607583182.db2.gz MOKBIGWCGNTQPW-CQSZACIVSA-N -1 1 398.401 0.785 20 5 GCBDMM CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825220810 607585432 /nfs/dbraw/zinc/58/54/32/607585432.db2.gz WXXXBWRVIGATLY-UWVGGRQHSA-N -1 1 382.402 0.963 20 5 GCBDMM C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)Cn1cccn1 ZINC000824427781 607589765 /nfs/dbraw/zinc/58/97/65/607589765.db2.gz OWBAGAAQTKGNFN-JTQLQIEISA-N -1 1 392.401 0.586 20 5 GCBDMM CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825418332 607595686 /nfs/dbraw/zinc/59/56/86/607595686.db2.gz ZXUDEFPQLPFZHX-JTQLQIEISA-N -1 1 382.402 0.965 20 5 GCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000824640537 607596773 /nfs/dbraw/zinc/59/67/73/607596773.db2.gz KKWUGSDLAIFKSJ-QMMMGPOBSA-N -1 1 397.417 0.356 20 5 GCBDMM Cn1c(Cl)cnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826356094 607605387 /nfs/dbraw/zinc/60/53/87/607605387.db2.gz ZSZHRAHGOJHFQF-UHFFFAOYSA-N -1 1 398.792 0.640 20 5 GCBDMM Cc1noc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000826339345 607605548 /nfs/dbraw/zinc/60/55/48/607605548.db2.gz AILOLKJSZJFSNU-UHFFFAOYSA-N -1 1 394.373 0.377 20 5 GCBDMM Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826334151 607606854 /nfs/dbraw/zinc/60/68/54/607606854.db2.gz JWFSRTRHVJTOPC-VIFPVBQESA-N -1 1 392.401 0.856 20 5 GCBDMM CCC(CC)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825095230 607635904 /nfs/dbraw/zinc/63/59/04/607635904.db2.gz GDTTYSJSBGVZHS-LLVKDONJSA-N -1 1 384.418 0.850 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826499873 607658535 /nfs/dbraw/zinc/65/85/35/607658535.db2.gz BPRFBEAETJQTSC-LLVKDONJSA-N -1 1 396.429 0.994 20 5 GCBDMM CC[C@](C)(CC(=O)OC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825043147 607662500 /nfs/dbraw/zinc/66/25/00/607662500.db2.gz FFLWZROWBVWOII-CQSZACIVSA-N -1 1 398.401 0.785 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ccncc32)c1-c1nn[n-]n1 ZINC000826499939 607665004 /nfs/dbraw/zinc/66/50/04/607665004.db2.gz FJUQIRZGWAYMDV-UHFFFAOYSA-N -1 1 389.353 0.758 20 5 GCBDMM C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824402645 607669963 /nfs/dbraw/zinc/66/99/63/607669963.db2.gz XNTCZWNSDLIZBY-VHSXEESVSA-N -1 1 382.402 0.868 20 5 GCBDMM CC(C)N1C(=O)N[C@]2(CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1=O ZINC000824295953 607674902 /nfs/dbraw/zinc/67/49/02/607674902.db2.gz BWYQHGQTJHJPBB-HNNXBMFYSA-N -1 1 387.360 0.079 20 5 GCBDMM CC(C)N1C(=O)N[C@]2(CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1=O ZINC000824295953 607674903 /nfs/dbraw/zinc/67/49/03/607674903.db2.gz BWYQHGQTJHJPBB-HNNXBMFYSA-N -1 1 387.360 0.079 20 5 GCBDMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000833166791 604997210 /nfs/dbraw/zinc/99/72/10/604997210.db2.gz UQXYAWLSDIOLQF-AWEZNQCLSA-N -1 1 380.382 0.684 20 5 GCBDMM C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824698696 607747575 /nfs/dbraw/zinc/74/75/75/607747575.db2.gz NCAQJDSVTPIBDK-VHSXEESVSA-N -1 1 382.402 0.699 20 5 GCBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000821666859 606310657 /nfs/dbraw/zinc/31/06/57/606310657.db2.gz JTFRQSBMLFXCQJ-UHFFFAOYSA-N -1 1 397.307 0.913 20 5 GCBDMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000820926148 606479480 /nfs/dbraw/zinc/47/94/80/606479480.db2.gz POINHIXFCLKWNO-LLVKDONJSA-N -1 1 386.372 0.736 20 5 GCBDMM O=c1n(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2n1CCCC2 ZINC000823665523 606700967 /nfs/dbraw/zinc/70/09/67/606700967.db2.gz NMKDUNBYIKFUAC-UHFFFAOYSA-N -1 1 386.376 0.367 20 5 GCBDMM O=c1n(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2n1CCCC2 ZINC000823665523 606700968 /nfs/dbraw/zinc/70/09/68/606700968.db2.gz NMKDUNBYIKFUAC-UHFFFAOYSA-N -1 1 386.376 0.367 20 5 GCBDMM O=C(c1cccc(O)c1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823493213 606707623 /nfs/dbraw/zinc/70/76/23/606707623.db2.gz IOBVAIKNGDTHHK-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM O=C(c1cccc(O)c1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823493213 606707625 /nfs/dbraw/zinc/70/76/25/606707625.db2.gz IOBVAIKNGDTHHK-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM CCn1ccnc1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821566808 606707857 /nfs/dbraw/zinc/70/78/57/606707857.db2.gz VEGDASSRYIECJR-UHFFFAOYSA-N -1 1 384.404 0.709 20 5 GCBDMM CCn1ccnc1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821566808 606707859 /nfs/dbraw/zinc/70/78/59/606707859.db2.gz VEGDASSRYIECJR-UHFFFAOYSA-N -1 1 384.404 0.709 20 5 GCBDMM Cc1noc([C@H](C)N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000822519674 606708519 /nfs/dbraw/zinc/70/85/19/606708519.db2.gz KMPMYKOBYRRAKC-VIFPVBQESA-N -1 1 386.376 0.745 20 5 GCBDMM Cc1noc([C@H](C)N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822519674 606708520 /nfs/dbraw/zinc/70/85/20/606708520.db2.gz KMPMYKOBYRRAKC-VIFPVBQESA-N -1 1 386.376 0.745 20 5 GCBDMM Cc1noc([C@@H](C)N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)n1 ZINC000822519671 606708710 /nfs/dbraw/zinc/70/87/10/606708710.db2.gz KMPMYKOBYRRAKC-SECBINFHSA-N -1 1 386.376 0.745 20 5 GCBDMM Cc1noc([C@@H](C)N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)n1 ZINC000822519671 606708712 /nfs/dbraw/zinc/70/87/12/606708712.db2.gz KMPMYKOBYRRAKC-SECBINFHSA-N -1 1 386.376 0.745 20 5 GCBDMM CCS(=O)(=O)N(C)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821441313 606709963 /nfs/dbraw/zinc/70/99/63/606709963.db2.gz KGXVALVVFJHKDB-UHFFFAOYSA-N -1 1 396.433 0.420 20 5 GCBDMM CCS(=O)(=O)N(C)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821441313 606709965 /nfs/dbraw/zinc/70/99/65/606709965.db2.gz KGXVALVVFJHKDB-UHFFFAOYSA-N -1 1 396.433 0.420 20 5 GCBDMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820769479 606714781 /nfs/dbraw/zinc/71/47/81/606714781.db2.gz UAVLGOJJTCKQKL-PSASIEDQSA-N -1 1 382.406 0.252 20 5 GCBDMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820769479 606714782 /nfs/dbraw/zinc/71/47/82/606714782.db2.gz UAVLGOJJTCKQKL-PSASIEDQSA-N -1 1 382.406 0.252 20 5 GCBDMM CN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821596509 606732864 /nfs/dbraw/zinc/73/28/64/606732864.db2.gz MFOALLFGFVODEQ-JTQLQIEISA-N -1 1 382.402 0.965 20 5 GCBDMM CN(C[C@@H]1CCCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821596695 606734798 /nfs/dbraw/zinc/73/47/98/606734798.db2.gz RQRUJADSZCAFPM-JTQLQIEISA-N -1 1 382.402 0.822 20 5 GCBDMM CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820142132 606735270 /nfs/dbraw/zinc/73/52/70/606735270.db2.gz HFKWBDFEKWPIDA-SECBINFHSA-N -1 1 398.401 0.736 20 5 GCBDMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000821657869 606736501 /nfs/dbraw/zinc/73/65/01/606736501.db2.gz XYYVYDLATVGUFY-BDAKNGLRSA-N -1 1 396.385 0.205 20 5 GCBDMM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000822865288 606736836 /nfs/dbraw/zinc/73/68/36/606736836.db2.gz ZMPUBXOWYHJNAA-VIFPVBQESA-N -1 1 395.401 0.051 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000820788481 606767622 /nfs/dbraw/zinc/76/76/22/606767622.db2.gz HYIKPKPQZUKRNF-SECBINFHSA-N -1 1 384.360 0.244 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000820788481 606767623 /nfs/dbraw/zinc/76/76/23/606767623.db2.gz HYIKPKPQZUKRNF-SECBINFHSA-N -1 1 384.360 0.244 20 5 GCBDMM Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822210940 606788235 /nfs/dbraw/zinc/78/82/35/606788235.db2.gz XWAJQMNZYPOLFA-UHFFFAOYSA-N -1 1 377.342 0.985 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000820788726 606829910 /nfs/dbraw/zinc/82/99/10/606829910.db2.gz NADRIUGSAQPSQH-NSHDSACASA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000820788726 606829911 /nfs/dbraw/zinc/82/99/11/606829911.db2.gz NADRIUGSAQPSQH-NSHDSACASA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000820788376 606855218 /nfs/dbraw/zinc/85/52/18/606855218.db2.gz FPDUXHQOMWXJMF-NSHDSACASA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000820788376 606855219 /nfs/dbraw/zinc/85/52/19/606855219.db2.gz FPDUXHQOMWXJMF-NSHDSACASA-N -1 1 395.383 0.916 20 5 GCBDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000822209420 607004233 /nfs/dbraw/zinc/00/42/33/607004233.db2.gz IIPUITODATZMDT-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM NC(=O)CSc1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822873476 607163433 /nfs/dbraw/zinc/16/34/33/607163433.db2.gz BOGBTHDYPZNPTD-UHFFFAOYSA-N -1 1 397.427 0.750 20 5 GCBDMM NC(=O)CSc1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000822873476 607163434 /nfs/dbraw/zinc/16/34/34/607163434.db2.gz BOGBTHDYPZNPTD-UHFFFAOYSA-N -1 1 397.427 0.750 20 5 GCBDMM CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1C ZINC000825465417 607819381 /nfs/dbraw/zinc/81/93/81/607819381.db2.gz LAHQLSBWLKZBSJ-SNVBAGLBSA-N -1 1 381.418 0.490 20 5 GCBDMM O=[N+]([O-])c1cc(N2CCN(c3ccc4nncn4n3)CC2)ccc1-c1nn[n-]n1 ZINC000826498450 607841540 /nfs/dbraw/zinc/84/15/40/607841540.db2.gz VHAPAARBFZVVII-UHFFFAOYSA-N -1 1 393.371 0.539 20 5 GCBDMM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825908397 607853492 /nfs/dbraw/zinc/85/34/92/607853492.db2.gz HHUJUTZSOVZEOA-GXSJLCMTSA-N -1 1 382.402 0.556 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC000826500479 607971415 /nfs/dbraw/zinc/97/14/15/607971415.db2.gz ZQEOQLWXUALPGJ-ZJUUUORDSA-N -1 1 382.402 0.604 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC000826500476 607971421 /nfs/dbraw/zinc/97/14/21/607971421.db2.gz ZQEOQLWXUALPGJ-NXEZZACHSA-N -1 1 382.402 0.604 20 5 GCBDMM O=c1ccc([N+](=O)[O-])cn1CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000826501597 608077380 /nfs/dbraw/zinc/07/73/80/608077380.db2.gz XZAVKWZWYJFGBM-UHFFFAOYSA-N -1 1 379.336 0.952 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1=O ZINC000826357109 608096137 /nfs/dbraw/zinc/09/61/37/608096137.db2.gz RGYNKXOASWTUNV-UHFFFAOYSA-N -1 1 396.323 0.339 20 5 GCBDMM C[C@@]1(O)CCN(c2cc(N3CC[C@](C)(O)C3)cc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824844511 608097596 /nfs/dbraw/zinc/09/75/96/608097596.db2.gz XPGHLBDGFMXBRK-DLBZAZTESA-N -1 1 389.416 0.697 20 5 GCBDMM C[C@@]1(O)CCN(c2cc(N3CC[C@](C)(O)C3)cc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824844511 608097597 /nfs/dbraw/zinc/09/75/97/608097597.db2.gz XPGHLBDGFMXBRK-DLBZAZTESA-N -1 1 389.416 0.697 20 5 GCBDMM CC[C@@]1(C)COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825164966 608155424 /nfs/dbraw/zinc/15/54/24/608155424.db2.gz OGHJSLPSIDSCTE-AWEZNQCLSA-N -1 1 382.402 0.965 20 5 GCBDMM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCN1C ZINC000824857114 608156717 /nfs/dbraw/zinc/15/67/17/608156717.db2.gz AZYJCZYISVBZHK-ZJUUUORDSA-N -1 1 381.418 0.488 20 5 GCBDMM CCN1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1C ZINC000825453242 608238360 /nfs/dbraw/zinc/23/83/60/608238360.db2.gz UQOQEYCBULIOGH-WDEREUQCSA-N -1 1 395.445 0.878 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000825938417 608391372 /nfs/dbraw/zinc/39/13/72/608391372.db2.gz SLUYOXOKTXFSAE-UHFFFAOYSA-N -1 1 384.364 0.192 20 5 GCBDMM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826227301 608422058 /nfs/dbraw/zinc/42/20/58/608422058.db2.gz OXVCDAOLMWKJRZ-APPZFPTMSA-N -1 1 388.431 0.166 20 5 GCBDMM CCCCN(CCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825285414 608423469 /nfs/dbraw/zinc/42/34/69/608423469.db2.gz UFLXOAURUUNLPU-UHFFFAOYSA-N -1 1 384.418 0.948 20 5 GCBDMM CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824172653 608440273 /nfs/dbraw/zinc/44/02/73/608440273.db2.gz NBIQWGIJPHEQEW-LLVKDONJSA-N -1 1 382.402 0.699 20 5 GCBDMM CC(C)C(=O)NCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824184294 608445713 /nfs/dbraw/zinc/44/57/13/608445713.db2.gz FNBFOMQKZQYIEA-UHFFFAOYSA-N -1 1 397.417 0.168 20 5 GCBDMM CCOCCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825598843 609183452 /nfs/dbraw/zinc/18/34/52/609183452.db2.gz DBSRTIQHZPJIFH-UHFFFAOYSA-N -1 1 398.401 0.201 20 5 GCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826415589 609622187 /nfs/dbraw/zinc/62/21/87/609622187.db2.gz KYXWEHMUGOOCBO-UHFFFAOYSA-N -1 1 398.335 0.954 20 5 GCBDMM O=C([O-])Cn1cc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000776628560 641108370 /nfs/dbraw/zinc/10/83/70/641108370.db2.gz VHIVSFJSAYSVHC-UHFFFAOYSA-N -1 1 375.750 0.403 20 5 GCBDMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795803424 641525670 /nfs/dbraw/zinc/52/56/70/641525670.db2.gz MPFXTJKMWFXIKK-RXMQYKEDSA-N -1 1 384.183 0.909 20 5 GCBDMM NC(=O)CN1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809807060 641712270 /nfs/dbraw/zinc/71/22/70/641712270.db2.gz JLPRRVFOLQLZGF-UHFFFAOYSA-N -1 1 394.812 0.615 20 5 GCBDMM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816692 641712778 /nfs/dbraw/zinc/71/27/78/641712778.db2.gz MYPNKMPWUWIVHO-UHFFFAOYSA-N -1 1 389.814 0.605 20 5 GCBDMM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831432 641713888 /nfs/dbraw/zinc/71/38/88/641713888.db2.gz VSCOEXSTMCEIIL-LBPRGKRZSA-N -1 1 384.769 0.980 20 5 GCBDMM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013455 641816122 /nfs/dbraw/zinc/81/61/22/641816122.db2.gz UPEPXMJGOKNKPJ-UHFFFAOYSA-N -1 1 380.741 0.217 20 5 GCBDMM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014647 641816244 /nfs/dbraw/zinc/81/62/44/641816244.db2.gz WEVBHDYWJGTVCE-UHFFFAOYSA-N -1 1 394.768 0.608 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000815026205 641816623 /nfs/dbraw/zinc/81/66/23/641816623.db2.gz NGYOXTTWMYCFCN-VIFPVBQESA-N -1 1 378.813 0.665 20 5 GCBDMM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000815025524 641816749 /nfs/dbraw/zinc/81/67/49/641816749.db2.gz HWYWLFWLJANLFQ-LDWIPMOCSA-N -1 1 381.769 0.699 20 5 GCBDMM O=C1CN(CCC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCN1 ZINC000815028467 641817550 /nfs/dbraw/zinc/81/75/50/641817550.db2.gz CIXXNTGNPSCMQT-UHFFFAOYSA-N -1 1 394.812 0.488 20 5 GCBDMM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815062595 641819310 /nfs/dbraw/zinc/81/93/10/641819310.db2.gz WNWBSNBXSJPTFZ-UHFFFAOYSA-N -1 1 389.814 0.734 20 5 GCBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCn1ccnn1 ZINC000136333176 641821292 /nfs/dbraw/zinc/82/12/92/641821292.db2.gz FLJQTSRJZPTLBW-UHFFFAOYSA-N -1 1 376.192 0.927 20 5 GCBDMM Cn1cnnc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038110414 642062452 /nfs/dbraw/zinc/06/24/52/642062452.db2.gz SWOLPZCYEVNSFO-UHFFFAOYSA-N -1 1 376.192 0.964 20 5 GCBDMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000785310980 1192218557 /nfs/dbraw/zinc/21/85/57/1192218557.db2.gz YRNBCOOOLYZUOV-RKDXNWHRSA-N -1 1 391.377 0.469 20 5 GCBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000473297210 1192861768 /nfs/dbraw/zinc/86/17/68/1192861768.db2.gz FJBBAYFGPMEUJN-UHFFFAOYSA-N -1 1 375.341 0.767 20 5 GCBDMM Cn1ccnc1[C@](O)(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000274863460 1184406656 /nfs/dbraw/zinc/40/66/56/1184406656.db2.gz BFQCFYZPPBXAAX-CYBMUJFWSA-N -1 1 389.290 0.999 20 5 GCBDMM Cn1ccnc1[C@@](O)(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000274863465 1184407042 /nfs/dbraw/zinc/40/70/42/1184407042.db2.gz BFQCFYZPPBXAAX-ZDUSSCGKSA-N -1 1 389.290 0.999 20 5 GCBDMM COC(=O)[C@H](F)C(Nc1ccc([N+](=O)[O-])cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009770781 1184819293 /nfs/dbraw/zinc/81/92/93/1184819293.db2.gz BHXBHIHCMIYATO-SECBINFHSA-N -1 1 382.329 0.303 20 5 GCBDMM Cc1cc(C)n(C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])n1 ZINC000548203738 1185881224 /nfs/dbraw/zinc/88/12/24/1185881224.db2.gz VZRSDDWURWKNDN-NSHDSACASA-N -1 1 386.361 0.979 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000366997064 1194347738 /nfs/dbraw/zinc/34/77/38/1194347738.db2.gz QEXULMLSTKFXRT-RISCZKNCSA-N -1 1 385.398 0.525 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000366997063 1194347788 /nfs/dbraw/zinc/34/77/88/1194347788.db2.gz QEXULMLSTKFXRT-FZMZJTMJSA-N -1 1 385.398 0.525 20 5 GCBDMM COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000425307023 1194904368 /nfs/dbraw/zinc/90/43/68/1194904368.db2.gz AYMSANOHINVRFQ-ZDUSSCGKSA-N -1 1 380.401 0.209 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c([N+](=O)[O-])n1 ZINC000435801845 1194965940 /nfs/dbraw/zinc/96/59/40/1194965940.db2.gz WCBRIJHLUYJNTD-UHFFFAOYSA-N -1 1 377.386 0.870 20 5 GCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000516108880 1195024023 /nfs/dbraw/zinc/02/40/23/1195024023.db2.gz QIWDPMMLYRICQX-JTQLQIEISA-N -1 1 384.414 0.629 20 5 GCBDMM Cc1cc(=O)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1ccccc1[N+](=O)[O-] ZINC000544687362 1196053050 /nfs/dbraw/zinc/05/30/50/1196053050.db2.gz WFMHDJIAPOQHOB-JTQLQIEISA-N -1 1 398.383 0.838 20 5 GCBDMM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2=O)c1 ZINC000281125249 1196278806 /nfs/dbraw/zinc/27/88/06/1196278806.db2.gz ILRZMSFUOIDWSL-MRXNPFEDSA-N -1 1 388.340 0.747 20 5 GCBDMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281641678 1196317268 /nfs/dbraw/zinc/31/72/68/1196317268.db2.gz HLQBGGGNMLCUOQ-UHFFFAOYSA-N -1 1 380.401 0.163 20 5 GCBDMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000281801069 1196335858 /nfs/dbraw/zinc/33/58/58/1196335858.db2.gz TTYZCDZZSROJJX-UHFFFAOYSA-N -1 1 380.401 0.163 20 5 GCBDMM COCc1noc(CN2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000444441656 1196474734 /nfs/dbraw/zinc/47/47/34/1196474734.db2.gz HFYROTHUFHEITL-UHFFFAOYSA-N -1 1 378.345 0.183 20 5 GCBDMM CS(=O)(=O)c1ccc(OCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445181784 1196557051 /nfs/dbraw/zinc/55/70/51/1196557051.db2.gz BTKCKGDHHKCRBX-UHFFFAOYSA-N -1 1 381.366 0.908 20 5 GCBDMM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001211902562 1196577086 /nfs/dbraw/zinc/57/70/86/1196577086.db2.gz XISSLMZTYYBCJG-VIFPVBQESA-N -1 1 383.423 0.648 20 5 GCBDMM O=C1c2ccccc2C(=O)N1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186759 1196654773 /nfs/dbraw/zinc/65/47/73/1196654773.db2.gz CZYZUNDNHTXYBD-UHFFFAOYSA-N -1 1 376.350 0.564 20 5 GCBDMM O=C(Cc1cccc(F)c1)NCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601056 1196692040 /nfs/dbraw/zinc/69/20/40/1196692040.db2.gz JCSYWXLKFFFRCI-UHFFFAOYSA-N -1 1 382.373 0.766 20 5 GCBDMM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])n2)c1C ZINC000447702473 1196742547 /nfs/dbraw/zinc/74/25/47/1196742547.db2.gz YXUMPZOTAAFHOO-UHFFFAOYSA-N -1 1 386.372 1.539 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000451938069 1197025107 /nfs/dbraw/zinc/02/51/07/1197025107.db2.gz NWBXWHRFPGRVAW-LBPRGKRZSA-N -1 1 395.441 0.837 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)c([N+](=O)[O-])n1 ZINC000532855512 1197416006 /nfs/dbraw/zinc/41/60/06/1197416006.db2.gz VDORNIDOIFUENW-ZDUSSCGKSA-N -1 1 393.425 0.891 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000533635106 1197463528 /nfs/dbraw/zinc/46/35/28/1197463528.db2.gz JVHBHTJBNUKWDL-UHFFFAOYSA-N -1 1 385.377 0.659 20 5 GCBDMM COCCn1cc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000282408877 1199896315 /nfs/dbraw/zinc/89/63/15/1199896315.db2.gz SLLONCAMYBPSRS-UHFFFAOYSA-N -1 1 398.397 0.687 20 5 GCBDMM Cc1nc([N+](=O)[O-])c(-c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)n1C ZINC000350912874 1199927905 /nfs/dbraw/zinc/92/79/05/1199927905.db2.gz BGLFVPKAJHPMGM-UHFFFAOYSA-N -1 1 388.406 0.531 20 5 GCBDMM Cc1cc(NC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)no1 ZINC000360827506 1200828914 /nfs/dbraw/zinc/82/89/14/1200828914.db2.gz DYAZHNDDGZXRHD-UHFFFAOYSA-N -1 1 375.341 1.483 20 5 GCBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000742346715 1201796775 /nfs/dbraw/zinc/79/67/75/1201796775.db2.gz BLFDSRLCZBSFIK-CABZTGNLSA-N -1 1 397.388 0.940 20 5 GCBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000742346716 1201796991 /nfs/dbraw/zinc/79/69/91/1201796991.db2.gz BLFDSRLCZBSFIK-JOYOIKCWSA-N -1 1 397.388 0.940 20 5 GCBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)c1C ZINC000769832784 1202075046 /nfs/dbraw/zinc/07/50/46/1202075046.db2.gz PZFUABMFSRXSSB-UHFFFAOYSA-N -1 1 393.385 0.899 20 5 GCBDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCNc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000806832347 1205568014 /nfs/dbraw/zinc/56/80/14/1205568014.db2.gz IUJVAHUHCXXVGM-UHFFFAOYSA-N -1 1 383.368 0.417 20 5 GCBDMM COc1ccc(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC000806859905 1205568635 /nfs/dbraw/zinc/56/86/35/1205568635.db2.gz BSNOFMCHBSHEBP-UHFFFAOYSA-N -1 1 384.352 0.514 20 5 GCBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807079616 1205575061 /nfs/dbraw/zinc/57/50/61/1205575061.db2.gz RLOYJVNOFFBQHD-UHFFFAOYSA-N -1 1 382.380 0.890 20 5 GCBDMM COc1cc(S(=O)(=O)[N-]C(=O)CCCCc2cn[nH]n2)ccc1[N+](=O)[O-] ZINC000774137418 1205862556 /nfs/dbraw/zinc/86/25/56/1205862556.db2.gz IKIXJVLJYAIADH-UHFFFAOYSA-N -1 1 383.386 0.939 20 5 GCBDMM Cc1onc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1-c1nnn[n-]1 ZINC000826344787 948013910 /nfs/dbraw/zinc/01/39/10/948013910.db2.gz RPSMMNJXLHOWFH-UHFFFAOYSA-N -1 1 399.371 0.358 20 5 GCBDMM Cc1onc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1-c1nn[n-]n1 ZINC000826344787 948013916 /nfs/dbraw/zinc/01/39/16/948013916.db2.gz RPSMMNJXLHOWFH-UHFFFAOYSA-N -1 1 399.371 0.358 20 5 GCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])n1 ZINC000600665036 975004456 /nfs/dbraw/zinc/00/44/56/975004456.db2.gz LRTXIRDDJGONAK-JTQLQIEISA-N -1 1 386.361 0.689 20 5 GCBDMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001592722677 979226035 /nfs/dbraw/zinc/22/60/35/979226035.db2.gz JZVXWZWGEPKAJW-NSHDSACASA-N -1 1 386.430 0.207 20 5 GCBDMM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598656954 994537409 /nfs/dbraw/zinc/53/74/09/994537409.db2.gz NZEVKIIWGLFUTD-KRWDZBQOSA-N -1 1 378.385 0.320 20 5 GCBDMM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC001594098898 998087976 /nfs/dbraw/zinc/08/79/76/998087976.db2.gz MXVABDPQTLDSNN-ZDUSSCGKSA-N -1 1 399.425 0.952 20 5 GCBDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ncc([N+](=O)[O-])cc1F ZINC000413223329 530203802 /nfs/dbraw/zinc/20/38/02/530203802.db2.gz CAAIAJGWXNBYPI-UHFFFAOYSA-N -1 1 377.379 0.990 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCC2)c([N+](=O)[O-])n1 ZINC000511424538 530182525 /nfs/dbraw/zinc/18/25/25/530182525.db2.gz GGNBRBOEPYNIDV-UHFFFAOYSA-N -1 1 380.448 0.447 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CN(CC(C)C)CCO2)c([N+](=O)[O-])n1 ZINC000611106204 530233376 /nfs/dbraw/zinc/23/33/76/530233376.db2.gz ZCQOENGWLUBRAM-GFCCVEGCSA-N -1 1 375.451 0.446 20 5 GCBDMM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263687246 530255164 /nfs/dbraw/zinc/25/51/64/530255164.db2.gz NZMVXBVHGFQJOP-JTQLQIEISA-N -1 1 397.862 0.951 20 5 GCBDMM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263685391 530255211 /nfs/dbraw/zinc/25/52/11/530255211.db2.gz NKPJZZPGDSMLGW-UHFFFAOYSA-N -1 1 385.851 0.854 20 5 GCBDMM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289516319 530264585 /nfs/dbraw/zinc/26/45/85/530264585.db2.gz PHXZCLSXNDDPEL-UHFFFAOYSA-N -1 1 389.814 0.605 20 5 GCBDMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCOCC1 ZINC000289567284 530265188 /nfs/dbraw/zinc/26/51/88/530265188.db2.gz TZZRDPFMJHDOQO-UHFFFAOYSA-N -1 1 395.796 0.915 20 5 GCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC000564741239 530351115 /nfs/dbraw/zinc/35/11/15/530351115.db2.gz SNCSKBQYCWHTGP-LLVKDONJSA-N -1 1 384.819 0.076 20 5 GCBDMM NC(=O)[C@@H]1CCCN1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264615105 530375098 /nfs/dbraw/zinc/37/50/98/530375098.db2.gz QMNFSZSUXQLZLS-LBPRGKRZSA-N -1 1 390.849 0.866 20 5 GCBDMM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000290853858 530456566 /nfs/dbraw/zinc/45/65/66/530456566.db2.gz WTUGEOSBPWVQHV-WKEGUHRASA-N -1 1 381.769 0.699 20 5 GCBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000267622605 530589846 /nfs/dbraw/zinc/58/98/46/530589846.db2.gz LJUAEOIGUQVIOC-NSHDSACASA-N -1 1 375.378 0.650 20 5 GCBDMM CS(=O)(=O)N[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000268277518 530683631 /nfs/dbraw/zinc/68/36/31/530683631.db2.gz UYQOBUOQRCVXMV-GXSJLCMTSA-N -1 1 395.434 0.730 20 5 GCBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCN1CCOCC1 ZINC000121574368 530695113 /nfs/dbraw/zinc/69/51/13/530695113.db2.gz NCEHIKKBFGGBMG-UHFFFAOYSA-N -1 1 394.247 0.968 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000533631913 530901423 /nfs/dbraw/zinc/90/14/23/530901423.db2.gz FYFBTQFNUJVGLP-VXGBXAGGSA-N -1 1 375.451 0.589 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCCOC2)c([N+](=O)[O-])n1 ZINC000595368114 530901524 /nfs/dbraw/zinc/90/15/24/530901524.db2.gz SRTHBETYQGQSOX-CQSZACIVSA-N -1 1 376.435 0.657 20 5 GCBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)OCCO2 ZINC000535252100 530903788 /nfs/dbraw/zinc/90/37/88/530903788.db2.gz MLVPVTNHANWNRA-SSDOTTSWSA-N -1 1 386.304 0.958 20 5 GCBDMM CNC(=O)Cn1cnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000430594104 530904208 /nfs/dbraw/zinc/90/42/08/530904208.db2.gz FUTCKVPERFUSQB-UHFFFAOYSA-N -1 1 383.162 0.947 20 5 GCBDMM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000619751973 530883141 /nfs/dbraw/zinc/88/31/41/530883141.db2.gz FUWLWKJAKITERQ-UHFFFAOYSA-N -1 1 383.835 0.607 20 5 GCBDMM Cc1nc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000600651752 530931363 /nfs/dbraw/zinc/93/13/63/530931363.db2.gz IUJQXJURTOPAEI-UHFFFAOYSA-N -1 1 375.388 0.312 20 5 GCBDMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000283651880 530925310 /nfs/dbraw/zinc/92/53/10/530925310.db2.gz YKSYELFTJLLJRB-SSDOTTSWSA-N -1 1 392.187 0.393 20 5 GCBDMM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1(C)C ZINC000474397098 530925522 /nfs/dbraw/zinc/92/55/22/530925522.db2.gz PBNGZBDZDVWIGW-BXUZGUMPSA-N -1 1 376.435 0.656 20 5 GCBDMM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505270129 530938706 /nfs/dbraw/zinc/93/87/06/530938706.db2.gz FVLQGWNOWRIXIA-VIFPVBQESA-N -1 1 387.395 0.322 20 5 GCBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@]1(O)CCOC1 ZINC000229634171 530942899 /nfs/dbraw/zinc/94/28/99/530942899.db2.gz SSHOJLJEFKPJKR-LLVKDONJSA-N -1 1 381.204 0.787 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])n1 ZINC000611109031 530945881 /nfs/dbraw/zinc/94/58/81/530945881.db2.gz ZUPUANYHVUXKRR-VHSXEESVSA-N -1 1 380.448 0.445 20 5 GCBDMM Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])ccc1=O ZINC000737609201 599042595 /nfs/dbraw/zinc/04/25/95/599042595.db2.gz FCHZHMWPSOAFAF-UHFFFAOYSA-N -1 1 377.342 0.274 20 5 GCBDMM CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000736737054 599136898 /nfs/dbraw/zinc/13/68/98/599136898.db2.gz JXGDDZVIDYPKFN-UHFFFAOYSA-N -1 1 383.324 0.990 20 5 GCBDMM CN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000736737054 599136900 /nfs/dbraw/zinc/13/69/00/599136900.db2.gz JXGDDZVIDYPKFN-UHFFFAOYSA-N -1 1 383.324 0.990 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737114628 598267569 /nfs/dbraw/zinc/26/75/69/598267569.db2.gz IBWVJTZCNLDPGR-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737114628 598267571 /nfs/dbraw/zinc/26/75/71/598267571.db2.gz IBWVJTZCNLDPGR-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM COc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC000737095300 598267892 /nfs/dbraw/zinc/26/78/92/598267892.db2.gz HFGBMUJTJLNZTI-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM COc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC000737095300 598267894 /nfs/dbraw/zinc/26/78/94/598267894.db2.gz HFGBMUJTJLNZTI-UHFFFAOYSA-N -1 1 391.369 0.657 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737052282 598271763 /nfs/dbraw/zinc/27/17/63/598271763.db2.gz QJCMSFOJNZJSSC-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737052282 598271765 /nfs/dbraw/zinc/27/17/65/598271765.db2.gz QJCMSFOJNZJSSC-UHFFFAOYSA-N -1 1 378.326 0.946 20 5 GCBDMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821659164 607390958 /nfs/dbraw/zinc/39/09/58/607390958.db2.gz UCOUFFPBMLIRPE-SECBINFHSA-N -1 1 396.385 0.491 20 5 GCBDMM C[C@H](CN1CCN(C)CC1)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000736584610 600008545 /nfs/dbraw/zinc/00/85/45/600008545.db2.gz DTYXGAGJIXXHOM-OLZOCXBDSA-N -1 1 393.444 0.846 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000739812098 600671171 /nfs/dbraw/zinc/67/11/71/600671171.db2.gz HGIHYKUGJZTZNX-HOCLYGCPSA-N -1 1 392.412 0.445 20 5 GCBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc([N+](=O)[O-])c1 ZINC000833300785 600691312 /nfs/dbraw/zinc/69/13/12/600691312.db2.gz KOIHPCBTSQZXPY-UHFFFAOYSA-N -1 1 391.317 0.977 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704575 601253340 /nfs/dbraw/zinc/25/33/40/601253340.db2.gz YOIWESBZBBWNPY-GFCCVEGCSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2C[C@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702974 602137745 /nfs/dbraw/zinc/13/77/45/602137745.db2.gz FZAMSYNMXKOBPC-COLVAYQJSA-N -1 1 378.385 0.317 20 5 GCBDMM CCOC(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825512124 607581476 /nfs/dbraw/zinc/58/14/76/607581476.db2.gz URHSHLDSWDKYRW-UHFFFAOYSA-N -1 1 384.374 0.397 20 5 GCBDMM CCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825417009 607600365 /nfs/dbraw/zinc/60/03/65/607600365.db2.gz NZQLOUBYGJOKCU-JTQLQIEISA-N -1 1 382.402 0.822 20 5 GCBDMM CCOC(=O)C(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825485842 607604503 /nfs/dbraw/zinc/60/45/03/607604503.db2.gz KAVZCJNIZRARSQ-UHFFFAOYSA-N -1 1 384.374 0.395 20 5 GCBDMM Cc1ccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826287315 607613365 /nfs/dbraw/zinc/61/33/65/607613365.db2.gz JZFWBLQBBMJWCY-UHFFFAOYSA-N -1 1 389.397 0.999 20 5 GCBDMM CCC(CC)[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825095233 607635886 /nfs/dbraw/zinc/63/58/86/607635886.db2.gz GDTTYSJSBGVZHS-NSHDSACASA-N -1 1 384.418 0.850 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826499876 607639001 /nfs/dbraw/zinc/63/90/01/607639001.db2.gz BUUWRAHBXPSSHX-MRVPVSSYSA-N -1 1 396.307 0.367 20 5 GCBDMM CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824305081 607651333 /nfs/dbraw/zinc/65/13/33/607651333.db2.gz KLHJPCIEBANASM-VIFPVBQESA-N -1 1 398.401 0.641 20 5 GCBDMM CO[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1(C)C ZINC000826144512 607667403 /nfs/dbraw/zinc/66/74/03/607667403.db2.gz LOOJGDJZLZWMRY-WDEREUQCSA-N -1 1 382.402 0.867 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1-c1nn[n-]n1 ZINC000826500135 607672831 /nfs/dbraw/zinc/67/28/31/607672831.db2.gz MIOQTCSVAAZESL-NSHDSACASA-N -1 1 390.381 0.787 20 5 GCBDMM C[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[S@](C)=O ZINC000824400120 607674559 /nfs/dbraw/zinc/67/45/59/607674559.db2.gz AILVJWNIXCMHCV-GPQZVPNXSA-N -1 1 388.431 0.210 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCc3c[nH]nc32)c1-c1nn[n-]n1 ZINC000826500013 607676058 /nfs/dbraw/zinc/67/60/58/607676058.db2.gz HYZMAJOXGNUNQM-VIFPVBQESA-N -1 1 390.385 0.854 20 5 GCBDMM COCCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826154988 607676373 /nfs/dbraw/zinc/67/63/73/607676373.db2.gz BWLCVVVBOBLUFM-UHFFFAOYSA-N -1 1 382.402 0.870 20 5 GCBDMM C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824691352 607678058 /nfs/dbraw/zinc/67/80/58/607678058.db2.gz ZYPNNPPLTSFFQE-VHSXEESVSA-N -1 1 382.402 0.556 20 5 GCBDMM CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1N(C)C ZINC000833738998 605401891 /nfs/dbraw/zinc/40/18/91/605401891.db2.gz ZAGSMYHNLSSHDQ-VXGBXAGGSA-N -1 1 389.455 0.959 20 5 GCBDMM CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1N(C)C ZINC000833738996 605402088 /nfs/dbraw/zinc/40/20/88/605402088.db2.gz ZAGSMYHNLSSHDQ-NWDGAFQWSA-N -1 1 389.455 0.959 20 5 GCBDMM CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1N(C)C ZINC000833738995 605402201 /nfs/dbraw/zinc/40/22/01/605402201.db2.gz ZAGSMYHNLSSHDQ-NEPJUHHUSA-N -1 1 389.455 0.959 20 5 GCBDMM NC(=O)c1ccc(SCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822890597 606532951 /nfs/dbraw/zinc/53/29/51/606532951.db2.gz YZEIFRVKVXUUJC-UHFFFAOYSA-N -1 1 389.357 0.328 20 5 GCBDMM NC(=O)c1ccc(SCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822890597 606532952 /nfs/dbraw/zinc/53/29/52/606532952.db2.gz YZEIFRVKVXUUJC-UHFFFAOYSA-N -1 1 389.357 0.328 20 5 GCBDMM NC(=O)c1ccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000822885678 606711281 /nfs/dbraw/zinc/71/12/81/606711281.db2.gz SDFMZQCRZVPFGG-UHFFFAOYSA-N -1 1 395.383 0.595 20 5 GCBDMM NC(=O)c1ccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822885678 606711282 /nfs/dbraw/zinc/71/12/82/606711282.db2.gz SDFMZQCRZVPFGG-UHFFFAOYSA-N -1 1 395.383 0.595 20 5 GCBDMM Cc1nc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000822449658 606719693 /nfs/dbraw/zinc/71/96/93/606719693.db2.gz IVLLCRZHVKBRRS-SNVBAGLBSA-N -1 1 382.388 0.983 20 5 GCBDMM Cc1nc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000822449658 606719694 /nfs/dbraw/zinc/71/96/94/606719694.db2.gz IVLLCRZHVKBRRS-SNVBAGLBSA-N -1 1 382.388 0.983 20 5 GCBDMM CCOC(=O)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821330455 606732634 /nfs/dbraw/zinc/73/26/34/606732634.db2.gz KZJRXUKNFBTICM-UHFFFAOYSA-N -1 1 384.374 0.349 20 5 GCBDMM CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820995731 606734068 /nfs/dbraw/zinc/73/40/68/606734068.db2.gz WRMGNZKACCXANL-NXEZZACHSA-N -1 1 382.402 0.963 20 5 GCBDMM CCOC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821369189 606736408 /nfs/dbraw/zinc/73/64/08/606736408.db2.gz XQFLQJLFLYEMOH-JTQLQIEISA-N -1 1 382.402 0.822 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820788450 606809422 /nfs/dbraw/zinc/80/94/22/606809422.db2.gz HHQSCSDIDWICPF-SNVBAGLBSA-N -1 1 396.371 0.311 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000820788450 606809423 /nfs/dbraw/zinc/80/94/23/606809423.db2.gz HHQSCSDIDWICPF-SNVBAGLBSA-N -1 1 396.371 0.311 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000820788375 606854915 /nfs/dbraw/zinc/85/49/15/606854915.db2.gz FPDUXHQOMWXJMF-LLVKDONJSA-N -1 1 395.383 0.916 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000820788375 606854916 /nfs/dbraw/zinc/85/49/16/606854916.db2.gz FPDUXHQOMWXJMF-LLVKDONJSA-N -1 1 395.383 0.916 20 5 GCBDMM COCCn1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000821695104 607155325 /nfs/dbraw/zinc/15/53/25/607155325.db2.gz JSTZUUXXFSUXPZ-UHFFFAOYSA-N -1 1 394.373 0.419 20 5 GCBDMM O=C([C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1)N1CCOCC1 ZINC000822917770 607166229 /nfs/dbraw/zinc/16/62/29/607166229.db2.gz WQASTRODAYYMFE-LLVKDONJSA-N -1 1 388.388 0.245 20 5 GCBDMM O=C([C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1)N1CCOCC1 ZINC000822917770 607166231 /nfs/dbraw/zinc/16/62/31/607166231.db2.gz WQASTRODAYYMFE-LLVKDONJSA-N -1 1 388.388 0.245 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cn1 ZINC000823640157 607168478 /nfs/dbraw/zinc/16/84/78/607168478.db2.gz VQOJNLGUWQOZTM-UHFFFAOYSA-N -1 1 398.343 0.800 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cn1 ZINC000823640157 607168480 /nfs/dbraw/zinc/16/84/80/607168480.db2.gz VQOJNLGUWQOZTM-UHFFFAOYSA-N -1 1 398.343 0.800 20 5 GCBDMM CN(CCN1C(=O)c2ccccc2C1=O)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825937385 607820858 /nfs/dbraw/zinc/82/08/58/607820858.db2.gz BQPJUQMYPPDJQX-UHFFFAOYSA-N -1 1 394.351 0.902 20 5 GCBDMM CN(CCN1C(=O)c2ccccc2C1=O)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825937385 607820859 /nfs/dbraw/zinc/82/08/59/607820859.db2.gz BQPJUQMYPPDJQX-UHFFFAOYSA-N -1 1 394.351 0.902 20 5 GCBDMM C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1-c1nnn[n-]1 ZINC000826083613 608021076 /nfs/dbraw/zinc/02/10/76/608021076.db2.gz OQVBRSALINNTPF-UHFFFAOYSA-N -1 1 387.360 0.608 20 5 GCBDMM C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1-c1nn[n-]n1 ZINC000826083613 608021077 /nfs/dbraw/zinc/02/10/77/608021077.db2.gz OQVBRSALINNTPF-UHFFFAOYSA-N -1 1 387.360 0.608 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3nccn3C2)c1-c1nn[n-]n1 ZINC000826500009 608056152 /nfs/dbraw/zinc/05/61/52/608056152.db2.gz HUESWEAMGLUFDY-SECBINFHSA-N -1 1 390.385 0.265 20 5 GCBDMM CN(CCc1cnccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825949823 608155911 /nfs/dbraw/zinc/15/59/11/608155911.db2.gz AFDGIIFGUOXVLR-UHFFFAOYSA-N -1 1 390.385 0.428 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000826500344 608242606 /nfs/dbraw/zinc/24/26/06/608242606.db2.gz UZVHSGDCRDVWDE-UHFFFAOYSA-N -1 1 380.386 0.719 20 5 GCBDMM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826227304 608422215 /nfs/dbraw/zinc/42/22/15/608422215.db2.gz OXVCDAOLMWKJRZ-VXNVDRBHSA-N -1 1 388.431 0.166 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000825935059 608557023 /nfs/dbraw/zinc/55/70/23/608557023.db2.gz SPVSHUJTJKCMKV-UHFFFAOYSA-N -1 1 389.351 0.924 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000825935059 608557024 /nfs/dbraw/zinc/55/70/24/608557024.db2.gz SPVSHUJTJKCMKV-UHFFFAOYSA-N -1 1 389.351 0.924 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccsc2)c1-c1nn[n-]n1 ZINC000826500438 608568002 /nfs/dbraw/zinc/56/80/02/608568002.db2.gz YJVQFKCSYDISHK-JTQLQIEISA-N -1 1 396.410 0.848 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826496747 609386746 /nfs/dbraw/zinc/38/67/46/609386746.db2.gz HUKLXKGJCIGUCL-UHFFFAOYSA-N -1 1 394.417 0.221 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826496747 609386748 /nfs/dbraw/zinc/38/67/48/609386748.db2.gz HUKLXKGJCIGUCL-UHFFFAOYSA-N -1 1 394.417 0.221 20 5 GCBDMM NC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389361 609622071 /nfs/dbraw/zinc/62/20/71/609622071.db2.gz WDCCNQRQJSQZGV-ZDUSSCGKSA-N -1 1 384.308 0.864 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@]1(N2CCOCC2)CCSC1 ZINC000610261707 638450321 /nfs/dbraw/zinc/45/03/21/638450321.db2.gz YKLQONLZLSNTET-AWEZNQCLSA-N -1 1 388.471 0.476 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC000754802213 640459666 /nfs/dbraw/zinc/45/96/66/640459666.db2.gz AFLXGAOWTFYSNQ-UHFFFAOYSA-N -1 1 377.423 0.956 20 5 GCBDMM NS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768806721 640761036 /nfs/dbraw/zinc/76/10/36/640761036.db2.gz WJYITJODTUYQSK-UHFFFAOYSA-N -1 1 377.425 0.782 20 5 GCBDMM CN(C)C(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])O1 ZINC000774784426 640895074 /nfs/dbraw/zinc/89/50/74/640895074.db2.gz NTRGNQQXCGARRL-MWLCHTKSSA-N -1 1 375.378 0.648 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2COC3(CCOCC3)O2)c([N+](=O)[O-])n1 ZINC000776875698 641118316 /nfs/dbraw/zinc/11/83/16/641118316.db2.gz TXHBWRHHAFCYBQ-JTQLQIEISA-N -1 1 376.391 0.012 20 5 GCBDMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n[nH]1 ZINC000778084469 641147563 /nfs/dbraw/zinc/14/75/63/641147563.db2.gz ISGOIEAFHSNUPG-UHFFFAOYSA-N -1 1 390.175 0.980 20 5 GCBDMM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790944780 641423591 /nfs/dbraw/zinc/42/35/91/641423591.db2.gz KXTGMHSPFWXBDI-LLVKDONJSA-N -1 1 382.822 0.941 20 5 GCBDMM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809816789 641712713 /nfs/dbraw/zinc/71/27/13/641712713.db2.gz PBXDGIQQFBHOKZ-SECBINFHSA-N -1 1 380.829 0.911 20 5 GCBDMM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014618 641816327 /nfs/dbraw/zinc/81/63/27/641816327.db2.gz VECOXDANCNHURW-UHFFFAOYSA-N -1 1 389.814 0.605 20 5 GCBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000815026204 641816755 /nfs/dbraw/zinc/81/67/55/641816755.db2.gz NGYOXTTWMYCFCN-SECBINFHSA-N -1 1 378.813 0.665 20 5 GCBDMM CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035143 641817224 /nfs/dbraw/zinc/81/72/24/641817224.db2.gz DANUGYZNZHKDTF-UHFFFAOYSA-N -1 1 375.787 0.215 20 5 GCBDMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849433421 642655282 /nfs/dbraw/zinc/65/52/82/642655282.db2.gz NCNLVQDFCYJENI-WPRPVWTQSA-N -1 1 384.819 0.339 20 5 GCBDMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849433419 642655297 /nfs/dbraw/zinc/65/52/97/642655297.db2.gz NCNLVQDFCYJENI-SCZZXKLOSA-N -1 1 384.819 0.339 20 5 GCBDMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000859362225 643004488 /nfs/dbraw/zinc/00/44/88/643004488.db2.gz SNGVXNFWYGUPAP-UHFFFAOYSA-N -1 1 377.350 0.082 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])n1 ZINC000549601915 1192303517 /nfs/dbraw/zinc/30/35/17/1192303517.db2.gz DTZKGPSMBZGSFT-UHFFFAOYSA-N -1 1 377.386 0.870 20 5 GCBDMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000512030633 1192396688 /nfs/dbraw/zinc/39/66/88/1192396688.db2.gz INEPGAZSCWMRKL-UHFFFAOYSA-N -1 1 398.401 0.561 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccnc1N1CCOCC1 ZINC000610211886 1184283394 /nfs/dbraw/zinc/28/33/94/1184283394.db2.gz FXBPXDWCCFGATM-UHFFFAOYSA-N -1 1 379.398 0.700 20 5 GCBDMM CNC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC001671566534 1185221934 /nfs/dbraw/zinc/22/19/34/1185221934.db2.gz OKAQHJYDDXXYHG-UHFFFAOYSA-N -1 1 395.796 0.961 20 5 GCBDMM CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000580805901 1185369048 /nfs/dbraw/zinc/36/90/48/1185369048.db2.gz MMOVHVNPAHIVOV-NSHDSACASA-N -1 1 387.418 0.086 20 5 GCBDMM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262172014 1185394163 /nfs/dbraw/zinc/39/41/63/1185394163.db2.gz LOJAZPJOGOAHIO-SNVBAGLBSA-N -1 1 389.368 0.866 20 5 GCBDMM COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610261277 1185632384 /nfs/dbraw/zinc/63/23/84/1185632384.db2.gz FHMRSKVTAXCTPC-UHFFFAOYSA-N -1 1 380.382 0.707 20 5 GCBDMM NC(=O)c1cccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000477175942 1185805631 /nfs/dbraw/zinc/80/56/31/1185805631.db2.gz KRSIVHFOFQSHJR-UHFFFAOYSA-N -1 1 393.377 0.943 20 5 GCBDMM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277705873 1186572085 /nfs/dbraw/zinc/57/20/85/1186572085.db2.gz IDUAXCHCBGLZRD-UHFFFAOYSA-N -1 1 395.416 0.978 20 5 GCBDMM 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C[C@@]1(c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000445197921 1196560545 /nfs/dbraw/zinc/56/05/45/1196560545.db2.gz ZKYCZSZKSWPCOM-KRWDZBQOSA-N -1 1 385.336 0.680 20 5 GCBDMM CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1 ZINC000532793641 1197412182 /nfs/dbraw/zinc/41/21/82/1197412182.db2.gz OAPLJIIYXVGZOI-SECBINFHSA-N -1 1 380.386 0.531 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)c([N+](=O)[O-])n1 ZINC000532853427 1197415862 /nfs/dbraw/zinc/41/58/62/1197415862.db2.gz BBBIQQDRAJLQNT-UHFFFAOYSA-N -1 1 396.429 0.521 20 5 GCBDMM NC(=O)c1ccc(SCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c([N+](=O)[O-])c1 ZINC000533113866 1197433319 /nfs/dbraw/zinc/43/33/19/1197433319.db2.gz VJCMAKJZKPHLNK-SNVBAGLBSA-N -1 1 391.413 0.705 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])n1 ZINC000533177745 1197436035 /nfs/dbraw/zinc/43/60/35/1197436035.db2.gz FLZQZZLFJIHPKR-UHFFFAOYSA-N -1 1 396.429 0.521 20 5 GCBDMM 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NS(=O)(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000292885621 530119731 /nfs/dbraw/zinc/11/97/31/530119731.db2.gz UPWIOFMNUOOYFS-UHFFFAOYSA-N -1 1 389.814 0.734 20 5 GCBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)O ZINC000274332005 530168680 /nfs/dbraw/zinc/16/86/80/530168680.db2.gz FZWAUHKUBRUOQX-LHLIQPBNSA-N -1 1 397.203 0.558 20 5 GCBDMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1=O ZINC000287578788 530250913 /nfs/dbraw/zinc/25/09/13/530250913.db2.gz YDTZAQGHEWXBHJ-SSDOTTSWSA-N -1 1 392.187 0.393 20 5 GCBDMM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000289781423 530289714 /nfs/dbraw/zinc/28/97/14/530289714.db2.gz IBARFXLXUDANSP-YFKPBYRVSA-N -1 1 397.196 0.810 20 5 GCBDMM CN(C)S(=O)(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(F)(F)F ZINC000289462744 530264464 /nfs/dbraw/zinc/26/44/64/530264464.db2.gz WMECNVADZXWSDJ-QMMMGPOBSA-N -1 1 386.308 0.248 20 5 GCBDMM O=C1CN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCN1 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/nfs/dbraw/zinc/74/75/39/530747539.db2.gz UAZCJFSDNTWAPH-UHFFFAOYSA-N -1 1 375.392 0.917 20 5 GCBDMM O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295755611 530785161 /nfs/dbraw/zinc/78/51/61/530785161.db2.gz OPDPWCRHKCGGDG-QMMMGPOBSA-N -1 1 378.204 0.914 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445032888 530801657 /nfs/dbraw/zinc/80/16/57/530801657.db2.gz KWGWDZSRCAXPGI-DTWKUNHWSA-N -1 1 383.473 0.795 20 5 GCBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000276400276 530911365 /nfs/dbraw/zinc/91/13/65/530911365.db2.gz SOTYYHYETGVBNG-LLVKDONJSA-N -1 1 386.304 0.973 20 5 GCBDMM CCO[C@H]1C[C@@](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000600653830 530931664 /nfs/dbraw/zinc/93/16/64/530931664.db2.gz OMPDNEHUXTVCNR-TVQRCGJNSA-N -1 1 376.391 0.265 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)s2)c([N+](=O)[O-])n1 ZINC000468777643 530917607 /nfs/dbraw/zinc/91/76/07/530917607.db2.gz BIYOXFGPRBPDGP-UHFFFAOYSA-N -1 1 394.456 0.755 20 5 GCBDMM O=C1CNC(=O)N1CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296937945 531031232 /nfs/dbraw/zinc/03/12/32/531031232.db2.gz XJRSXMLYSHAOLN-UHFFFAOYSA-N -1 1 397.196 0.732 20 5 GCBDMM CS(=O)(=O)N[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576694459 531086705 /nfs/dbraw/zinc/08/67/05/531086705.db2.gz HQQOTGQQWUHMGE-UWVGGRQHSA-N -1 1 378.432 0.129 20 5 GCBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000738259205 598991993 /nfs/dbraw/zinc/99/19/93/598991993.db2.gz NPWSUALEKDHESH-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000738259205 598991995 /nfs/dbraw/zinc/99/19/95/598991995.db2.gz NPWSUALEKDHESH-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822699324 607306190 /nfs/dbraw/zinc/30/61/90/607306190.db2.gz WBTKXSCKBTXITD-GXFFZTMASA-N -1 1 385.388 0.853 20 5 GCBDMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822699324 607306191 /nfs/dbraw/zinc/30/61/91/607306191.db2.gz WBTKXSCKBTXITD-GXFFZTMASA-N -1 1 385.388 0.853 20 5 GCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738248037 598287562 /nfs/dbraw/zinc/28/75/62/598287562.db2.gz MPWPAJZDQYQKAL-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM Cc1nn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)c(-c2nn[n-]n2)c1C ZINC000737520332 598473410 /nfs/dbraw/zinc/47/34/10/598473410.db2.gz DRLBAEUHDAHZAN-UHFFFAOYSA-N -1 1 385.340 0.863 20 5 GCBDMM Nc1nc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ncc1[N+](=O)[O-] ZINC000737775990 598551894 /nfs/dbraw/zinc/55/18/94/598551894.db2.gz FOVLVJZJCFTCRM-UHFFFAOYSA-N -1 1 399.375 0.339 20 5 GCBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737264893 599305894 /nfs/dbraw/zinc/30/58/94/599305894.db2.gz QUYFMUWTSRJHFR-UHFFFAOYSA-N -1 1 393.747 0.926 20 5 GCBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738259227 599388352 /nfs/dbraw/zinc/38/83/52/599388352.db2.gz OPCHJAVNKYZDSA-LLVKDONJSA-N -1 1 381.356 0.892 20 5 GCBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000738259227 599388354 /nfs/dbraw/zinc/38/83/54/599388354.db2.gz OPCHJAVNKYZDSA-LLVKDONJSA-N -1 1 381.356 0.892 20 5 GCBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNc1cccc(-c2nn[n-]n2)n1 ZINC000738370554 599441370 /nfs/dbraw/zinc/44/13/70/599441370.db2.gz VVQJVNOJEIYHCU-UHFFFAOYSA-N -1 1 390.385 0.560 20 5 GCBDMM C[C@H](NC(=O)c1ccc(N2CCN(CC(C)(C)O)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657420 600208231 /nfs/dbraw/zinc/20/82/31/600208231.db2.gz RGEPNGJWFXIRHQ-LBPRGKRZSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@@H](NC(=O)c1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655147 600560345 /nfs/dbraw/zinc/56/03/45/600560345.db2.gz CDWQPHKAPLXRET-GFCCVEGCSA-N -1 1 380.401 0.302 20 5 GCBDMM O=C([O-])c1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000738674085 600622824 /nfs/dbraw/zinc/62/28/24/600622824.db2.gz YYWSZQHDHNUWPV-HNNXBMFYSA-N -1 1 392.412 0.429 20 5 GCBDMM CC[C@H](O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736927310 600670792 /nfs/dbraw/zinc/67/07/92/600670792.db2.gz LQGHETXHECGUJL-ZDUSSCGKSA-N -1 1 380.401 0.302 20 5 GCBDMM CC[C@@H](CO)N1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828890775 600824798 /nfs/dbraw/zinc/82/47/98/600824798.db2.gz LZVIUKVUTCLRST-JSGCOSHPSA-N -1 1 394.428 0.691 20 5 GCBDMM COc1cc(OCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000600869142 601091658 /nfs/dbraw/zinc/09/16/58/601091658.db2.gz KNVZJGWUSSAGAE-LBPRGKRZSA-N -1 1 381.385 0.990 20 5 GCBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000600870490 601105156 /nfs/dbraw/zinc/10/51/56/601105156.db2.gz URZPQKDEQKDQFZ-DGCLKSJQSA-N -1 1 396.448 0.835 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000833252711 601411063 /nfs/dbraw/zinc/41/10/63/601411063.db2.gz XULWTPAZDQSUID-CYBMUJFWSA-N -1 1 392.412 0.568 20 5 GCBDMM O=C([O-])CNC(=O)c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000833252712 601411103 /nfs/dbraw/zinc/41/11/03/601411103.db2.gz XULWTPAZDQSUID-ZDUSSCGKSA-N -1 1 392.412 0.568 20 5 GCBDMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448100 601816106 /nfs/dbraw/zinc/81/61/06/601816106.db2.gz BEFWNRSFVPJOCQ-ANTHHZPCSA-N -1 1 376.369 0.972 20 5 GCBDMM NC(=O)c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826393893 607576031 /nfs/dbraw/zinc/57/60/31/607576031.db2.gz OAAQZESCYZFRNI-UHFFFAOYSA-N -1 1 390.337 0.642 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826499965 607576300 /nfs/dbraw/zinc/57/63/00/607576300.db2.gz GNLBOLLDSGWURH-UHFFFAOYSA-N -1 1 393.297 0.846 20 5 GCBDMM NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1 ZINC000826393572 607579007 /nfs/dbraw/zinc/57/90/07/607579007.db2.gz YJUQRQBKUCRAQS-UHFFFAOYSA-N -1 1 390.337 0.642 20 5 GCBDMM CC(=O)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000823972756 607580012 /nfs/dbraw/zinc/58/00/12/607580012.db2.gz GOILHMIYJAWVSS-UHFFFAOYSA-N -1 1 395.401 0.064 20 5 GCBDMM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824908194 607591382 /nfs/dbraw/zinc/59/13/82/607591382.db2.gz NMJBCMXOZKUDPZ-BDAKNGLRSA-N -1 1 395.401 0.049 20 5 GCBDMM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824908196 607591424 /nfs/dbraw/zinc/59/14/24/607591424.db2.gz NMJBCMXOZKUDPZ-IUCAKERBSA-N -1 1 395.401 0.049 20 5 GCBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000824640536 607596846 /nfs/dbraw/zinc/59/68/46/607596846.db2.gz KKWUGSDLAIFKSJ-MRVPVSSYSA-N -1 1 397.417 0.356 20 5 GCBDMM CCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825417011 607600609 /nfs/dbraw/zinc/60/06/09/607600609.db2.gz NZQLOUBYGJOKCU-SNVBAGLBSA-N -1 1 382.402 0.822 20 5 GCBDMM Cc1nc(C(C)(C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)no1 ZINC000826323333 607603408 /nfs/dbraw/zinc/60/34/08/607603408.db2.gz AFCLMIZMDMNISG-UHFFFAOYSA-N -1 1 394.373 0.680 20 5 GCBDMM COC(=O)C(C)(C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826098497 607606479 /nfs/dbraw/zinc/60/64/79/607606479.db2.gz GMADNFLJBIDMHF-UHFFFAOYSA-N -1 1 384.374 0.347 20 5 GCBDMM COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(C)(C)C ZINC000826112087 607616707 /nfs/dbraw/zinc/61/67/07/607616707.db2.gz RYEDGJBLAVAGAQ-NSHDSACASA-N -1 1 398.401 0.641 20 5 GCBDMM CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]2CCO[C@@H]21 ZINC000824790083 607643590 /nfs/dbraw/zinc/64/35/90/607643590.db2.gz KIEPVGSDWNEYGX-WQHBLYJGSA-N -1 1 394.413 0.867 20 5 GCBDMM CC(C)(CO)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824162436 607643602 /nfs/dbraw/zinc/64/36/02/607643602.db2.gz HSMHHXHOGILOFE-UHFFFAOYSA-N -1 1 384.418 0.852 20 5 GCBDMM CCC[C@@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825242552 607656174 /nfs/dbraw/zinc/65/61/74/607656174.db2.gz UUKLLLFYXOSQJY-JTQLQIEISA-N -1 1 384.418 0.852 20 5 GCBDMM CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825043145 607662643 /nfs/dbraw/zinc/66/26/43/607662643.db2.gz FFLWZROWBVWOII-AWEZNQCLSA-N -1 1 398.401 0.785 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccncc2)c1-c1nn[n-]n1 ZINC000826500489 607674505 /nfs/dbraw/zinc/67/45/05/607674505.db2.gz ZVNSNJXYWSBQEW-UHFFFAOYSA-N -1 1 375.370 0.691 20 5 GCBDMM CC(C)N1C(=O)N[C@@]2(CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)C1=O ZINC000824295959 607674740 /nfs/dbraw/zinc/67/47/40/607674740.db2.gz BWYQHGQTJHJPBB-OAHLLOKOSA-N -1 1 387.360 0.079 20 5 GCBDMM CC(C)N1C(=O)N[C@@]2(CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)C1=O ZINC000824295959 607674743 /nfs/dbraw/zinc/67/47/43/607674743.db2.gz BWYQHGQTJHJPBB-OAHLLOKOSA-N -1 1 387.360 0.079 20 5 GCBDMM C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824691351 607678142 /nfs/dbraw/zinc/67/81/42/607678142.db2.gz ZYPNNPPLTSFFQE-UWVGGRQHSA-N -1 1 382.402 0.556 20 5 GCBDMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000833166381 605003512 /nfs/dbraw/zinc/00/35/12/605003512.db2.gz PPXHVINJHVKWFI-AWEZNQCLSA-N -1 1 380.382 0.684 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ncccc2F)c1-c1nn[n-]n1 ZINC000826500059 607744105 /nfs/dbraw/zinc/74/41/05/607744105.db2.gz JQGFWCKKWVCYNO-UHFFFAOYSA-N -1 1 379.333 0.788 20 5 GCBDMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000820926149 606479510 /nfs/dbraw/zinc/47/95/10/606479510.db2.gz POINHIXFCLKWNO-NSHDSACASA-N -1 1 386.372 0.736 20 5 GCBDMM O=C1c2ccccc2C(=O)N1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823551184 606702108 /nfs/dbraw/zinc/70/21/08/606702108.db2.gz ICYZRGCYSHAMCB-UHFFFAOYSA-N -1 1 380.324 0.878 20 5 GCBDMM O=C1c2ccccc2C(=O)N1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823551184 606702109 /nfs/dbraw/zinc/70/21/09/606702109.db2.gz ICYZRGCYSHAMCB-UHFFFAOYSA-N -1 1 380.324 0.878 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@]1(N2CCOCC2)CCSC1 ZINC000823619974 606702210 /nfs/dbraw/zinc/70/22/10/606702210.db2.gz DNZCUEQPLOZWLO-OAHLLOKOSA-N -1 1 392.445 0.790 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@]1(N2CCOCC2)CCSC1 ZINC000823619974 606702212 /nfs/dbraw/zinc/70/22/12/606702212.db2.gz DNZCUEQPLOZWLO-OAHLLOKOSA-N -1 1 392.445 0.790 20 5 GCBDMM Cc1cc(C)n(C[C@@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)n1 ZINC000822198835 606708409 /nfs/dbraw/zinc/70/84/09/606708409.db2.gz LSTOHHIQFRYAFA-LBPRGKRZSA-N -1 1 385.388 0.889 20 5 GCBDMM Cc1cc(C)n(C[C@@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)n1 ZINC000822198835 606708411 /nfs/dbraw/zinc/70/84/11/606708411.db2.gz LSTOHHIQFRYAFA-LBPRGKRZSA-N -1 1 385.388 0.889 20 5 GCBDMM Cn1ccnc1CN1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822698692 606708415 /nfs/dbraw/zinc/70/84/15/606708415.db2.gz BEFBITCGFCNDBY-UHFFFAOYSA-N -1 1 384.404 0.616 20 5 GCBDMM Cn1ccnc1CN1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822698692 606708418 /nfs/dbraw/zinc/70/84/18/606708418.db2.gz BEFBITCGFCNDBY-UHFFFAOYSA-N -1 1 384.404 0.616 20 5 GCBDMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1=O ZINC000821620313 606715424 /nfs/dbraw/zinc/71/54/24/606715424.db2.gz FLURTVFICCAMHZ-AYVTZFPOSA-N -1 1 387.360 0.302 20 5 GCBDMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1=O ZINC000821620313 606715425 /nfs/dbraw/zinc/71/54/25/606715425.db2.gz FLURTVFICCAMHZ-AYVTZFPOSA-N -1 1 387.360 0.302 20 5 GCBDMM CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821175785 606730367 /nfs/dbraw/zinc/73/03/67/606730367.db2.gz VVQIVVNHSJHPIY-UHFFFAOYSA-N -1 1 397.417 0.264 20 5 GCBDMM CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821616816 606730949 /nfs/dbraw/zinc/73/09/49/606730949.db2.gz IVYGRZMGSOEODA-UHFFFAOYSA-N -1 1 378.374 0.329 20 5 GCBDMM Cc1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)no1 ZINC000822199924 606731353 /nfs/dbraw/zinc/73/13/53/606731353.db2.gz NIPFZNAHNBIBSR-UHFFFAOYSA-N -1 1 379.358 0.892 20 5 GCBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC(C)(C)O1 ZINC000820766868 606732401 /nfs/dbraw/zinc/73/24/01/606732401.db2.gz DJNBMCNRDJFCND-VIFPVBQESA-N -1 1 382.402 0.963 20 5 GCBDMM CCO[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000821367257 606732917 /nfs/dbraw/zinc/73/29/17/606732917.db2.gz DXICTCXZOLZDDT-JTQLQIEISA-N -1 1 382.402 0.965 20 5 GCBDMM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821639482 606733028 /nfs/dbraw/zinc/73/30/28/606733028.db2.gz ZULVLDCGRGECQA-MRVPVSSYSA-N -1 1 384.374 0.205 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000823647519 606733744 /nfs/dbraw/zinc/73/37/44/606733744.db2.gz LJIHORYRYIABPX-LLVKDONJSA-N -1 1 393.429 0.634 20 5 GCBDMM CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820995734 606733931 /nfs/dbraw/zinc/73/39/31/606733931.db2.gz WRMGNZKACCXANL-ZJUUUORDSA-N -1 1 382.402 0.963 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000823646950 606737330 /nfs/dbraw/zinc/73/73/30/606737330.db2.gz DQNBFOFPCMORNC-CQSZACIVSA-N -1 1 380.386 0.576 20 5 GCBDMM Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822159526 607155321 /nfs/dbraw/zinc/15/53/21/607155321.db2.gz ARPSRMMNVCEWDR-UHFFFAOYSA-N -1 1 391.369 0.583 20 5 GCBDMM CCN(CC)C(=O)CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821175106 607164398 /nfs/dbraw/zinc/16/43/98/607164398.db2.gz CYIYFVBZDJLSAH-UHFFFAOYSA-N -1 1 389.420 0.160 20 5 GCBDMM CCN(CC)C(=O)CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821175106 607164400 /nfs/dbraw/zinc/16/44/00/607164400.db2.gz CYIYFVBZDJLSAH-UHFFFAOYSA-N -1 1 389.420 0.160 20 5 GCBDMM O=C([C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1)N1CCOCC1 ZINC000822917771 607166189 /nfs/dbraw/zinc/16/61/89/607166189.db2.gz WQASTRODAYYMFE-NSHDSACASA-N -1 1 388.388 0.245 20 5 GCBDMM O=C([C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1)N1CCOCC1 ZINC000822917771 607166192 /nfs/dbraw/zinc/16/61/92/607166192.db2.gz WQASTRODAYYMFE-NSHDSACASA-N -1 1 388.388 0.245 20 5 GCBDMM O=C(c1ccc(O)cc1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000823488573 607168096 /nfs/dbraw/zinc/16/80/96/607168096.db2.gz PZLQCRHDVLYFGK-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM O=C(c1ccc(O)cc1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000823488573 607168098 /nfs/dbraw/zinc/16/80/98/607168098.db2.gz PZLQCRHDVLYFGK-UHFFFAOYSA-N -1 1 396.367 0.838 20 5 GCBDMM O=C(Cn1nccc1[N+](=O)[O-])Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823135994 607237626 /nfs/dbraw/zinc/23/76/26/607237626.db2.gz FAZUKYBUGJXIKN-UHFFFAOYSA-N -1 1 380.328 0.796 20 5 GCBDMM O=C(Cn1nccc1[N+](=O)[O-])Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823135994 607237627 /nfs/dbraw/zinc/23/76/27/607237627.db2.gz FAZUKYBUGJXIKN-UHFFFAOYSA-N -1 1 380.328 0.796 20 5 GCBDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c[nH]c1=O ZINC000826271194 607933156 /nfs/dbraw/zinc/93/31/56/607933156.db2.gz HJHQNYPKLKSYKY-UHFFFAOYSA-N -1 1 377.342 0.985 20 5 GCBDMM Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c[nH]c1=O ZINC000826271234 607934361 /nfs/dbraw/zinc/93/43/61/607934361.db2.gz JBIJSSFDTXLPQB-UHFFFAOYSA-N -1 1 377.342 0.985 20 5 GCBDMM O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000826500071 607939257 /nfs/dbraw/zinc/93/92/57/607939257.db2.gz KAIPWIVELIOLIE-UHFFFAOYSA-N -1 1 387.381 0.917 20 5 GCBDMM O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000826500071 607939258 /nfs/dbraw/zinc/93/92/58/607939258.db2.gz KAIPWIVELIOLIE-UHFFFAOYSA-N -1 1 387.381 0.917 20 5 GCBDMM C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824677123 607970982 /nfs/dbraw/zinc/97/09/82/607970982.db2.gz BNNINXPUCMFLSG-ZJUUUORDSA-N -1 1 382.402 0.699 20 5 GCBDMM C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1-c1nnn[n-]1 ZINC000826083014 608022142 /nfs/dbraw/zinc/02/21/42/608022142.db2.gz FEQJBYSMNSECME-UHFFFAOYSA-N -1 1 387.360 0.608 20 5 GCBDMM C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1-c1nn[n-]n1 ZINC000826083014 608022143 /nfs/dbraw/zinc/02/21/43/608022143.db2.gz FEQJBYSMNSECME-UHFFFAOYSA-N -1 1 387.360 0.608 20 5 GCBDMM C[C@@]1(O)CCN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3CC[C@@](C)(O)C3)c2)C1 ZINC000824844513 608097610 /nfs/dbraw/zinc/09/76/10/608097610.db2.gz XPGHLBDGFMXBRK-IAGOWNOFSA-N -1 1 389.416 0.697 20 5 GCBDMM C[C@@]1(O)CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@@](C)(O)C3)c2)C1 ZINC000824844513 608097611 /nfs/dbraw/zinc/09/76/11/608097611.db2.gz XPGHLBDGFMXBRK-IAGOWNOFSA-N -1 1 389.416 0.697 20 5 GCBDMM Cn1cnn(-c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)c1=O ZINC000826365356 608194239 /nfs/dbraw/zinc/19/42/39/608194239.db2.gz LAPFBXWNMJEGJZ-UHFFFAOYSA-N -1 1 380.328 0.798 20 5 GCBDMM Cn1cnn(-c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)c1=O ZINC000826365356 608194241 /nfs/dbraw/zinc/19/42/41/608194241.db2.gz LAPFBXWNMJEGJZ-UHFFFAOYSA-N -1 1 380.328 0.798 20 5 GCBDMM CCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825242282 608306565 /nfs/dbraw/zinc/30/65/65/608306565.db2.gz NFCXLHGNLYMYHX-MRVPVSSYSA-N -1 1 384.374 0.395 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)c1-c1nn[n-]n1 ZINC000826500025 608441202 /nfs/dbraw/zinc/44/12/02/608441202.db2.gz IOKOGUBWXOOSGV-AOOOYVTPSA-N -1 1 382.402 0.604 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3C[C@H](O)[C@@H](C)C3)c2)C[C@H]1O ZINC000824994927 608555004 /nfs/dbraw/zinc/55/50/04/608555004.db2.gz XMQDYZWJXNPTCZ-MMDVMMEASA-N -1 1 389.416 0.409 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3C[C@H](O)[C@@H](C)C3)c2)C[C@H]1O ZINC000824994927 608555005 /nfs/dbraw/zinc/55/50/05/608555005.db2.gz XMQDYZWJXNPTCZ-MMDVMMEASA-N -1 1 389.416 0.409 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000825933279 608558222 /nfs/dbraw/zinc/55/82/22/608558222.db2.gz AKYLKWNKZCWREW-UHFFFAOYSA-N -1 1 377.390 0.847 20 5 GCBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000825933279 608558225 /nfs/dbraw/zinc/55/82/25/608558225.db2.gz AKYLKWNKZCWREW-UHFFFAOYSA-N -1 1 377.390 0.847 20 5 GCBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000826424989 608890399 /nfs/dbraw/zinc/89/03/99/608890399.db2.gz LIMHAEUOJTYGCJ-UHFFFAOYSA-N -1 1 386.328 0.771 20 5 GCBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000826424989 608890401 /nfs/dbraw/zinc/89/04/01/608890401.db2.gz LIMHAEUOJTYGCJ-UHFFFAOYSA-N -1 1 386.328 0.771 20 5 GCBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000825799884 609448225 /nfs/dbraw/zinc/44/82/25/609448225.db2.gz VMGHIWAOIFBRSD-UHFFFAOYSA-N -1 1 377.748 0.820 20 5 GCBDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824640373 609580158 /nfs/dbraw/zinc/58/01/58/609580158.db2.gz HJLCSMVNZGFJPK-UWVGGRQHSA-N -1 1 382.402 0.868 20 5 GCBDMM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768787875 640760404 /nfs/dbraw/zinc/76/04/04/640760404.db2.gz WXIZDUGCVJHKKZ-UHFFFAOYSA-N -1 1 377.425 0.782 20 5 GCBDMM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776802000 641116957 /nfs/dbraw/zinc/11/69/57/641116957.db2.gz KWFHGVKHHHOGED-RYUDHWBXSA-N -1 1 378.378 0.833 20 5 GCBDMM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790944785 641423819 /nfs/dbraw/zinc/42/38/19/641423819.db2.gz KXTGMHSPFWXBDI-NSHDSACASA-N -1 1 382.822 0.941 20 5 GCBDMM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815012240 641815381 /nfs/dbraw/zinc/81/53/81/641815381.db2.gz IWZQCMJDEPJGDL-VIFPVBQESA-N -1 1 380.829 0.911 20 5 GCBDMM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O ZINC000819911904 641945053 /nfs/dbraw/zinc/94/50/53/641945053.db2.gz LHJZMGJMCCTAJM-MRVPVSSYSA-N -1 1 379.753 0.813 20 5 GCBDMM COCCNC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000841551071 642311155 /nfs/dbraw/zinc/31/11/55/642311155.db2.gz NWQXDVFJQVBRSB-UHFFFAOYSA-N -1 1 395.796 0.961 20 5 GCBDMM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275140697 1184530486 /nfs/dbraw/zinc/53/04/86/1184530486.db2.gz PJEWDAANHMMHKL-GFCCVEGCSA-N -1 1 377.401 0.464 20 5 GCBDMM C[C@H](CN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000478589781 1186522560 /nfs/dbraw/zinc/52/25/60/1186522560.db2.gz FJSSAUHEPQHQNS-MRVPVSSYSA-N -1 1 381.780 0.753 20 5 GCBDMM CCN(CC)C(=O)CN1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277935830 1186711469 /nfs/dbraw/zinc/71/14/69/1186711469.db2.gz REUHTIZGJSVXPT-UHFFFAOYSA-N -1 1 379.417 0.712 20 5 GCBDMM O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000572987139 1186907845 /nfs/dbraw/zinc/90/78/45/1186907845.db2.gz DAVREAALQYWCMJ-LBPRGKRZSA-N -1 1 392.393 0.908 20 5 GCBDMM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cn1 ZINC000580464743 1187689493 /nfs/dbraw/zinc/68/94/93/1187689493.db2.gz VYTBFVURCUUHNY-UHFFFAOYSA-N -1 1 386.390 0.163 20 5 GCBDMM O=C([O-])c1cn(CCCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nn1 ZINC000581930985 1187730215 /nfs/dbraw/zinc/73/02/15/1187730215.db2.gz QVGQAAVTVYGEQA-UHFFFAOYSA-N -1 1 387.349 0.782 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C2CC2)C2(CO)CCOCC2)c([N+](=O)[O-])n1 ZINC000549544352 1190032975 /nfs/dbraw/zinc/03/29/75/1190032975.db2.gz FMROKWOWPCAXHJ-ZDUSSCGKSA-N -1 1 388.446 0.657 20 5 GCBDMM O=C(CNC(=O)c1ncccc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000509988512 1194863102 /nfs/dbraw/zinc/86/31/02/1194863102.db2.gz GJADLEPSIBDXRL-UHFFFAOYSA-N -1 1 385.380 0.774 20 5 GCBDMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1 ZINC000515212992 1194956576 /nfs/dbraw/zinc/95/65/76/1194956576.db2.gz IMPDIGFDWPKXIO-UHFFFAOYSA-N -1 1 383.386 0.885 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccoc3)CC2)c([N+](=O)[O-])n1 ZINC000435795498 1194964722 /nfs/dbraw/zinc/96/47/22/1194964722.db2.gz DLXOWGSFBDPLQL-UHFFFAOYSA-N -1 1 397.413 0.987 20 5 GCBDMM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000436529438 1195013931 /nfs/dbraw/zinc/01/39/31/1195013931.db2.gz RNSCSUWBAVDHOF-UHFFFAOYSA-N -1 1 381.370 0.727 20 5 GCBDMM CN(C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000436925020 1195048419 /nfs/dbraw/zinc/04/84/19/1195048419.db2.gz YWEJYPRRZVKXJW-GFCCVEGCSA-N -1 1 385.442 0.881 20 5 GCBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000444630789 1196510576 /nfs/dbraw/zinc/51/05/76/1196510576.db2.gz IXCQKTKSAGTRIY-UHFFFAOYSA-N -1 1 379.354 0.902 20 5 GCBDMM C[C@]1(c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000445197942 1196560634 /nfs/dbraw/zinc/56/06/34/1196560634.db2.gz ZKYCZSZKSWPCOM-QGZVFWFLSA-N -1 1 385.336 0.680 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000445711618 1196587412 /nfs/dbraw/zinc/58/74/12/1196587412.db2.gz JKGCNQIADYDQQN-GFCCVEGCSA-N -1 1 377.386 0.997 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cnn(C)c2C)c([N+](=O)[O-])n1 ZINC000447848952 1196752389 /nfs/dbraw/zinc/75/23/89/1196752389.db2.gz NMYGBGOTOSPICD-WCQYABFASA-N -1 1 384.418 0.662 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C2CCN(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])n1 ZINC000451444207 1196993218 /nfs/dbraw/zinc/99/32/18/1196993218.db2.gz BWJUHWWKOGPLSU-UHFFFAOYSA-N -1 1 383.434 0.790 20 5 GCBDMM O=C(c1ccccn1)N1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531638200 1197088817 /nfs/dbraw/zinc/08/88/17/1197088817.db2.gz VUMJTHSCJDAGLA-NSHDSACASA-N -1 1 377.382 0.578 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000532855813 1197415961 /nfs/dbraw/zinc/41/59/61/1197415961.db2.gz ZJRRPGHFZSBVRV-LLVKDONJSA-N -1 1 388.377 0.669 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OCCOC)nc2)c([N+](=O)[O-])n1 ZINC000533173998 1197437042 /nfs/dbraw/zinc/43/70/42/1197437042.db2.gz AAPHXXXDIGERLQ-UHFFFAOYSA-N -1 1 385.402 0.710 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000533637450 1197463313 /nfs/dbraw/zinc/46/33/13/1197463313.db2.gz BMAJIQGRMFQMNQ-UHFFFAOYSA-N -1 1 384.370 0.897 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000533635383 1197463390 /nfs/dbraw/zinc/46/33/90/1197463390.db2.gz BDOWBRBPHYWARM-UHFFFAOYSA-N -1 1 379.398 0.679 20 5 GCBDMM COc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1[N-]S(C)(=O)=O ZINC000499666787 1199530146 /nfs/dbraw/zinc/53/01/46/1199530146.db2.gz 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GCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1C ZINC000769832743 1202074919 /nfs/dbraw/zinc/07/49/19/1202074919.db2.gz OTWLPNYWMKKMDY-UHFFFAOYSA-N -1 1 393.385 0.899 20 5 GCBDMM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000770621866 1202106033 /nfs/dbraw/zinc/10/60/33/1202106033.db2.gz LTJGTQXUTSDAOG-GFCCVEGCSA-N -1 1 395.416 0.976 20 5 GCBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCP(=O)([O-])[O-])CC1 ZINC001173691880 1205726379 /nfs/dbraw/zinc/72/63/79/1205726379.db2.gz SNJBEQJLKWOLDQ-UHFFFAOYSA-N -1 1 393.358 0.515 20 5 GCBDMM C[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC001188245609 1205977140 /nfs/dbraw/zinc/97/71/40/1205977140.db2.gz HKJOWTSWBLHWDE-ZFWWWQNUSA-N -1 1 398.485 0.947 20 5 GCBDMM CC(C)[C@H](O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824201010 946617312 /nfs/dbraw/zinc/61/73/12/946617312.db2.gz WHYPUNAGJKTQFX-ZDUSSCGKSA-N -1 1 396.429 0.850 20 5 GCBDMM 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379.464 0.299 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C(C)C)N2CCOCC2)c([N+](=O)[O-])n1 ZINC000435795943 530309871 /nfs/dbraw/zinc/30/98/71/530309871.db2.gz GQASNENOGCNELK-LBPRGKRZSA-N -1 1 375.451 0.446 20 5 GCBDMM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000290853852 530456449 /nfs/dbraw/zinc/45/64/49/530456449.db2.gz WTUGEOSBPWVQHV-QUBYGPBYSA-N -1 1 381.769 0.699 20 5 GCBDMM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000051162379 530512842 /nfs/dbraw/zinc/51/28/42/530512842.db2.gz VBFUKUMYCCZYHA-UHFFFAOYSA-N -1 1 385.851 0.856 20 5 GCBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000544608444 530575436 /nfs/dbraw/zinc/57/54/36/530575436.db2.gz VTLBDPJFELICJU-JTQLQIEISA-N -1 1 386.304 0.973 20 5 GCBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000267622600 530590010 /nfs/dbraw/zinc/59/00/10/530590010.db2.gz LJUAEOIGUQVIOC-LLVKDONJSA-N -1 1 375.378 0.650 20 5 GCBDMM 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XSSKUMNNKRLSIX-VIFPVBQESA-N -1 1 381.407 0.294 20 5 GCBDMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000487397400 531040299 /nfs/dbraw/zinc/04/02/99/531040299.db2.gz OBVVBKDDGHYTGM-YUMQZZPRSA-N -1 1 379.416 0.391 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738271918 598973627 /nfs/dbraw/zinc/97/36/27/598973627.db2.gz WPMNQVSHJYIJMR-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738271918 598973629 /nfs/dbraw/zinc/97/36/29/598973629.db2.gz WPMNQVSHJYIJMR-UHFFFAOYSA-N -1 1 381.356 0.527 20 5 GCBDMM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC000737255727 599039640 /nfs/dbraw/zinc/03/96/40/599039640.db2.gz DWWQUGOQRMAIMS-UHFFFAOYSA-N -1 1 391.373 0.487 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737052741 599143436 /nfs/dbraw/zinc/14/34/36/599143436.db2.gz WFUCZQFSEMREIO-UHFFFAOYSA-N -1 1 399.323 0.974 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737052741 599143438 /nfs/dbraw/zinc/14/34/38/599143438.db2.gz WFUCZQFSEMREIO-UHFFFAOYSA-N -1 1 399.323 0.974 20 5 GCBDMM Nc1n[nH]c(CCCNc2nc3sccn3c2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822899302 599162292 /nfs/dbraw/zinc/16/22/92/599162292.db2.gz GDHQKIHIVDLYEC-UHFFFAOYSA-N -1 1 375.378 0.834 20 5 GCBDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000536292962 596951477 /nfs/dbraw/zinc/95/14/77/596951477.db2.gz JUJQKLBVVYPDPC-UHFFFAOYSA-N -1 1 389.386 0.003 20 5 GCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823652174 599357050 /nfs/dbraw/zinc/35/70/50/599357050.db2.gz WHLVLQBKHBYZIU-UHFFFAOYSA-N -1 1 391.369 0.527 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CC[C@@H](CO)C2)cc1N1CC[C@H](CO)C1 ZINC000823614755 599567627 /nfs/dbraw/zinc/56/76/27/599567627.db2.gz SITYVYPQUAQAGH-NEPJUHHUSA-N -1 1 389.416 0.412 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CC[C@@H](CO)C2)cc1N1CC[C@H](CO)C1 ZINC000823614755 599567629 /nfs/dbraw/zinc/56/76/29/599567629.db2.gz SITYVYPQUAQAGH-NEPJUHHUSA-N -1 1 389.416 0.412 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1-c1nnn[n-]1 ZINC000826498608 607450988 /nfs/dbraw/zinc/45/09/88/607450988.db2.gz COUPGOAXFPVQDK-GFCCVEGCSA-N -1 1 393.429 0.084 20 5 GCBDMM O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1-c1nn[n-]n1 ZINC000826498608 607450990 /nfs/dbraw/zinc/45/09/90/607450990.db2.gz COUPGOAXFPVQDK-GFCCVEGCSA-N -1 1 393.429 0.084 20 5 GCBDMM COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)n1 ZINC000826220953 607451554 /nfs/dbraw/zinc/45/15/54/607451554.db2.gz IDNINPLBYDQIJZ-UHFFFAOYSA-N -1 1 383.372 0.900 20 5 GCBDMM COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)n1 ZINC000826220953 607451555 /nfs/dbraw/zinc/45/15/55/607451555.db2.gz IDNINPLBYDQIJZ-UHFFFAOYSA-N -1 1 383.372 0.900 20 5 GCBDMM CC[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000829160287 600812590 /nfs/dbraw/zinc/81/25/90/600812590.db2.gz HGOKKYHDDWNEDZ-GXTWGEPZSA-N -1 1 394.428 0.691 20 5 GCBDMM C[C@H](O)CN1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000827802235 600812833 /nfs/dbraw/zinc/81/28/33/600812833.db2.gz FDICLYUJVPDAPI-NEPJUHHUSA-N -1 1 380.401 0.301 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCOCC2CC2)c1-c1nn[n-]n1 ZINC000826500329 607581557 /nfs/dbraw/zinc/58/15/57/607581557.db2.gz UIAWLQCKPBXUCO-UHFFFAOYSA-N -1 1 382.402 0.870 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826500398 607582962 /nfs/dbraw/zinc/58/29/62/607582962.db2.gz XDWAKHCAAUFSKD-UHFFFAOYSA-N -1 1 396.307 0.632 20 5 GCBDMM CCC[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)OC ZINC000825233065 607583305 /nfs/dbraw/zinc/58/33/05/607583305.db2.gz MOKBIGWCGNTQPW-AWEZNQCLSA-N -1 1 398.401 0.785 20 5 GCBDMM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824414245 607593344 /nfs/dbraw/zinc/59/33/44/607593344.db2.gz XYDZGVVJGOSWQY-VIFPVBQESA-N -1 1 395.401 0.064 20 5 GCBDMM CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825307517 607594309 /nfs/dbraw/zinc/59/43/09/607594309.db2.gz CJMVRDQCSJYHRR-UHFFFAOYSA-N -1 1 397.417 0.264 20 5 GCBDMM Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826334150 607606900 /nfs/dbraw/zinc/60/69/00/607606900.db2.gz JWFSRTRHVJTOPC-SECBINFHSA-N -1 1 392.401 0.856 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826499908 607613905 /nfs/dbraw/zinc/61/39/05/607613905.db2.gz DLJVCLNJOWRMJR-SNVBAGLBSA-N -1 1 398.401 0.106 20 5 GCBDMM CCCCOC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825290617 607618388 /nfs/dbraw/zinc/61/83/88/607618388.db2.gz BNKYRWZZVGJDNV-UHFFFAOYSA-N -1 1 384.374 0.397 20 5 GCBDMM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826390320 607622078 /nfs/dbraw/zinc/62/20/78/607622078.db2.gz WRYDZXODKHJTCS-DTWKUNHWSA-N -1 1 395.401 0.097 20 5 GCBDMM CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)[C@H]2CCO[C@H]21 ZINC000824790078 607643331 /nfs/dbraw/zinc/64/33/31/607643331.db2.gz KIEPVGSDWNEYGX-BZHVJNSISA-N -1 1 394.413 0.867 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(CCCCO)C2CC2)c1-c1nn[n-]n1 ZINC000826500065 607644814 /nfs/dbraw/zinc/64/48/14/607644814.db2.gz JROUZMZJIFEOQV-UHFFFAOYSA-N -1 1 382.402 0.701 20 5 GCBDMM COCCOC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826160797 607648915 /nfs/dbraw/zinc/64/89/15/607648915.db2.gz GZFQIGFMILJJMV-VIFPVBQESA-N -1 1 386.390 0.105 20 5 GCBDMM CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825089310 607657693 /nfs/dbraw/zinc/65/76/93/607657693.db2.gz CJIQKXZIDAARPN-VHSXEESVSA-N -1 1 384.418 0.850 20 5 GCBDMM COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CC1 ZINC000826112123 607658455 /nfs/dbraw/zinc/65/84/55/607658455.db2.gz SPQBAMDZAQVCPC-NSHDSACASA-N -1 1 382.358 0.005 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ncccc32)c1-c1nn[n-]n1 ZINC000826500455 607663761 /nfs/dbraw/zinc/66/37/61/607663761.db2.gz YYMNGQUDQPKLQY-UHFFFAOYSA-N -1 1 389.353 0.758 20 5 GCBDMM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826390032 607663368 /nfs/dbraw/zinc/66/33/68/607663368.db2.gz OJGZZIIWDVKAGP-BDAKNGLRSA-N -1 1 395.401 0.097 20 5 GCBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000833626564 605165830 /nfs/dbraw/zinc/16/58/30/605165830.db2.gz PMYLKZNSWLRSHS-GFCCVEGCSA-N -1 1 388.384 0.797 20 5 GCBDMM C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824698697 607747483 /nfs/dbraw/zinc/74/74/83/607747483.db2.gz NCAQJDSVTPIBDK-ZJUUUORDSA-N -1 1 382.402 0.699 20 5 GCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000823619973 606701920 /nfs/dbraw/zinc/70/19/20/606701920.db2.gz DNZCUEQPLOZWLO-HNNXBMFYSA-N -1 1 392.445 0.790 20 5 GCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000823619973 606701922 /nfs/dbraw/zinc/70/19/22/606701922.db2.gz DNZCUEQPLOZWLO-HNNXBMFYSA-N -1 1 392.445 0.790 20 5 GCBDMM CS(=O)(=O)N1CCC(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821933112 606705777 /nfs/dbraw/zinc/70/57/77/606705777.db2.gz UWOXHZVNKVGXFY-UHFFFAOYSA-N -1 1 382.406 0.253 20 5 GCBDMM CS(=O)(=O)N1CCC(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821933112 606705779 /nfs/dbraw/zinc/70/57/79/606705779.db2.gz UWOXHZVNKVGXFY-UHFFFAOYSA-N -1 1 382.406 0.253 20 5 GCBDMM CN(CCc1ccccn1)C(=O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821604773 606706703 /nfs/dbraw/zinc/70/67/03/606706703.db2.gz FWIWGOFRCJHQGC-UHFFFAOYSA-N -1 1 383.372 0.678 20 5 GCBDMM CN(CCc1ccccn1)C(=O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821604773 606706706 /nfs/dbraw/zinc/70/67/06/606706706.db2.gz FWIWGOFRCJHQGC-UHFFFAOYSA-N -1 1 383.372 0.678 20 5 GCBDMM CCOC(=O)CN1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821330913 606707033 /nfs/dbraw/zinc/70/70/33/606707033.db2.gz YNIOERHMNKQCLW-UHFFFAOYSA-N -1 1 376.377 0.245 20 5 GCBDMM CCOC(=O)CN1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821330913 606707034 /nfs/dbraw/zinc/70/70/34/606707034.db2.gz YNIOERHMNKQCLW-UHFFFAOYSA-N -1 1 376.377 0.245 20 5 GCBDMM NS(=O)(=O)c1ccc(F)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822895027 606710897 /nfs/dbraw/zinc/71/08/97/606710897.db2.gz KXJAESWTIZERLR-UHFFFAOYSA-N -1 1 394.348 0.569 20 5 GCBDMM NS(=O)(=O)c1ccc(F)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822895027 606710898 /nfs/dbraw/zinc/71/08/98/606710898.db2.gz KXJAESWTIZERLR-UHFFFAOYSA-N -1 1 394.348 0.569 20 5 GCBDMM NC(=O)CNC(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822869093 606710925 /nfs/dbraw/zinc/71/09/25/606710925.db2.gz OVAKLXIQBCOTTP-UHFFFAOYSA-N -1 1 384.312 0.177 20 5 GCBDMM NC(=O)CNC(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822869093 606710926 /nfs/dbraw/zinc/71/09/26/606710926.db2.gz OVAKLXIQBCOTTP-UHFFFAOYSA-N -1 1 384.312 0.177 20 5 GCBDMM C[C@H]1CN=C(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)S1 ZINC000820804061 606713384 /nfs/dbraw/zinc/71/33/84/606713384.db2.gz MESSNDWXBVBAMN-VIFPVBQESA-N -1 1 375.418 0.783 20 5 GCBDMM C[C@H]1CN=C(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)S1 ZINC000820804061 606713386 /nfs/dbraw/zinc/71/33/86/606713386.db2.gz MESSNDWXBVBAMN-VIFPVBQESA-N -1 1 375.418 0.783 20 5 GCBDMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1=O ZINC000821620315 606715513 /nfs/dbraw/zinc/71/55/13/606715513.db2.gz FLURTVFICCAMHZ-VXJOIVPMSA-N -1 1 387.360 0.302 20 5 GCBDMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1=O ZINC000821620315 606715514 /nfs/dbraw/zinc/71/55/14/606715514.db2.gz FLURTVFICCAMHZ-VXJOIVPMSA-N -1 1 387.360 0.302 20 5 GCBDMM CN(Cc1ccncc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821615629 606731106 /nfs/dbraw/zinc/73/11/06/606731106.db2.gz GGUGSAPFIBVJNK-UHFFFAOYSA-N -1 1 375.370 0.991 20 5 GCBDMM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000819803888 606731885 /nfs/dbraw/zinc/73/18/85/606731885.db2.gz RFZDUGFARONESR-SNVBAGLBSA-N -1 1 395.401 0.064 20 5 GCBDMM CCCN(CC(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821087368 606732609 /nfs/dbraw/zinc/73/26/09/606732609.db2.gz ASAUNJFRYYMGBM-UHFFFAOYSA-N -1 1 398.401 0.739 20 5 GCBDMM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000822865287 606736705 /nfs/dbraw/zinc/73/67/05/606736705.db2.gz ZMPUBXOWYHJNAA-SECBINFHSA-N -1 1 395.401 0.051 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000820788973 606818434 /nfs/dbraw/zinc/81/84/34/606818434.db2.gz SKPIXDFBHYTDMT-SECBINFHSA-N -1 1 385.344 0.509 20 5 GCBDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000820788973 606818435 /nfs/dbraw/zinc/81/84/35/606818435.db2.gz SKPIXDFBHYTDMT-SECBINFHSA-N -1 1 385.344 0.509 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000820788871 606824867 /nfs/dbraw/zinc/82/48/67/606824867.db2.gz QCIGUJLRTWIMCO-JTQLQIEISA-N -1 1 398.387 0.254 20 5 GCBDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000820788871 606824868 /nfs/dbraw/zinc/82/48/68/606824868.db2.gz QCIGUJLRTWIMCO-JTQLQIEISA-N -1 1 398.387 0.254 20 5 GCBDMM Cn1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1=O ZINC000822688759 607155927 /nfs/dbraw/zinc/15/59/27/607155927.db2.gz AADOWQQPMWSCBM-UHFFFAOYSA-N -1 1 377.342 0.274 20 5 GCBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821607633 607205835 /nfs/dbraw/zinc/20/58/35/607205835.db2.gz XHKULXLSTJOWDT-UHFFFAOYSA-N -1 1 377.752 0.678 20 5 GCBDMM Cc1ccc(NCCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000822254347 607219200 /nfs/dbraw/zinc/21/92/00/607219200.db2.gz HKJMQSJTHYMLON-UHFFFAOYSA-N -1 1 386.376 0.293 20 5 GCBDMM CC(=O)OC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000824010700 607811620 /nfs/dbraw/zinc/81/16/20/607811620.db2.gz QNKZXEDSCAXBHK-UHFFFAOYSA-N -1 1 396.385 0.491 20 5 GCBDMM Cc1c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cnn1C ZINC000826236388 607972230 /nfs/dbraw/zinc/97/22/30/607972230.db2.gz KAVAIOWHEZDWLG-UHFFFAOYSA-N -1 1 378.374 0.295 20 5 GCBDMM CCC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000825261071 607975479 /nfs/dbraw/zinc/97/54/79/607975479.db2.gz SQBOPLBEQUAAEK-SNVBAGLBSA-N -1 1 382.402 0.965 20 5 GCBDMM CCC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000825261068 607975658 /nfs/dbraw/zinc/97/56/58/607975658.db2.gz SQBOPLBEQUAAEK-JTQLQIEISA-N -1 1 382.402 0.965 20 5 GCBDMM CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825506780 608026363 /nfs/dbraw/zinc/02/63/63/608026363.db2.gz MFNCDSKYYDSTAP-SECBINFHSA-N -1 1 398.401 0.785 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3nccn3C2)c1-c1nn[n-]n1 ZINC000826500010 608056052 /nfs/dbraw/zinc/05/60/52/608056052.db2.gz HUESWEAMGLUFDY-VIFPVBQESA-N -1 1 390.385 0.265 20 5 GCBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2noc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826500358 608112113 /nfs/dbraw/zinc/11/21/13/608112113.db2.gz VPFZAJIPJBXNEK-UHFFFAOYSA-N -1 1 392.357 0.514 20 5 GCBDMM C[C@H]1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824886283 608155418 /nfs/dbraw/zinc/15/54/18/608155418.db2.gz WSBLKLMYGCINBB-VHSXEESVSA-N -1 1 382.402 0.868 20 5 GCBDMM NC(=O)c1cc([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)n[nH]1 ZINC000826392924 608293627 /nfs/dbraw/zinc/29/36/27/608293627.db2.gz UAXBLSOYOYFBMW-MRVPVSSYSA-N -1 1 384.360 0.376 20 5 GCBDMM NC(=O)c1cc([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)n[nH]1 ZINC000826392924 608293629 /nfs/dbraw/zinc/29/36/29/608293629.db2.gz UAXBLSOYOYFBMW-MRVPVSSYSA-N -1 1 384.360 0.376 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O ZINC000824994926 608554868 /nfs/dbraw/zinc/55/48/68/608554868.db2.gz XMQDYZWJXNPTCZ-KTJYFRGRSA-N -1 1 389.416 0.409 20 5 GCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O ZINC000824994926 608554869 /nfs/dbraw/zinc/55/48/69/608554869.db2.gz XMQDYZWJXNPTCZ-KTJYFRGRSA-N -1 1 389.416 0.409 20 5 GCBDMM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826425518 609292862 /nfs/dbraw/zinc/29/28/62/609292862.db2.gz HVRBQXIBIUWMKK-UHFFFAOYSA-N -1 1 399.306 0.330 20 5 GCBDMM CC(C)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000824225792 609331838 /nfs/dbraw/zinc/33/18/38/609331838.db2.gz VWIOCAYZMBZKEO-NSHDSACASA-N -1 1 382.402 0.820 20 5 GCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000826356828 609393177 /nfs/dbraw/zinc/39/31/77/609393177.db2.gz HSSDCYSHQJAOBO-GFCCVEGCSA-N -1 1 383.328 0.640 20 5 GCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000826356828 609393179 /nfs/dbraw/zinc/39/31/79/609393179.db2.gz HSSDCYSHQJAOBO-GFCCVEGCSA-N -1 1 383.328 0.640 20 5 GCBDMM NC(=O)CN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000725820867 638564460 /nfs/dbraw/zinc/56/44/60/638564460.db2.gz QAYOTJNESRUZLZ-UHFFFAOYSA-N -1 1 376.822 0.476 20 5 GCBDMM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000776801999 641116867 /nfs/dbraw/zinc/11/68/67/641116867.db2.gz KWFHGVKHHHOGED-NWDGAFQWSA-N -1 1 378.378 0.833 20 5 GCBDMM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000778639039 641165983 /nfs/dbraw/zinc/16/59/83/641165983.db2.gz KQUNKFJNUFGCRB-QMMMGPOBSA-N -1 1 383.176 0.170 20 5 GCBDMM Cn1nnc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000785405443 641310631 /nfs/dbraw/zinc/31/06/31/641310631.db2.gz RIBSBMBZOATJPE-UHFFFAOYSA-N -1 1 377.180 0.359 20 5 GCBDMM CN(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795773871 641524882 /nfs/dbraw/zinc/52/48/82/641524882.db2.gz DOGIIIGKQBWMRE-UHFFFAOYSA-N -1 1 384.183 0.863 20 5 GCBDMM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842362458 642334455 /nfs/dbraw/zinc/33/44/55/642334455.db2.gz JYCOGBAETULPQR-IYSWYEEDSA-N -1 1 384.595 0.968 20 5 GCBDMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849433418 642655196 /nfs/dbraw/zinc/65/51/96/642655196.db2.gz NCNLVQDFCYJENI-PSASIEDQSA-N -1 1 384.819 0.339 20 5 GCBDMM Cc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n2ncnc2n1 ZINC000512295530 1192600790 /nfs/dbraw/zinc/60/07/90/1192600790.db2.gz PKPIQYMDPZQIPH-UHFFFAOYSA-N -1 1 384.356 0.404 20 5 GCBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000610269927 1184715136 /nfs/dbraw/zinc/71/51/36/1184715136.db2.gz RVQGRDKMJRMCPR-KOLCDFICSA-N -1 1 380.386 0.196 20 5 GCBDMM CCOC1CC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000278210802 1186832679 /nfs/dbraw/zinc/83/26/79/1186832679.db2.gz SVBZEJIMYFRJOA-UHFFFAOYSA-N -1 1 380.401 0.695 20 5 GCBDMM O=C([N-]C[C@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000290642216 1189425805 /nfs/dbraw/zinc/42/58/05/1189425805.db2.gz DVLFVIZSMPDBLO-SNVBAGLBSA-N -1 1 392.338 0.891 20 5 GCBDMM Cc1ccc(S(=O)(=O)NC2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000365759324 1189445360 /nfs/dbraw/zinc/44/53/60/1189445360.db2.gz JLRIQXMVFBOFKV-UHFFFAOYSA-N -1 1 392.393 0.807 20 5 GCBDMM O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365775492 1189470572 /nfs/dbraw/zinc/47/05/72/1189470572.db2.gz BCQODHMYNFZYNX-LLVKDONJSA-N -1 1 398.383 0.780 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(OC)cc2)c([N+](=O)[O-])n1 ZINC000416561941 1189551623 /nfs/dbraw/zinc/55/16/23/1189551623.db2.gz VLGWZPQQQFXNJK-LBPRGKRZSA-N -1 1 384.414 0.874 20 5 GCBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN1CC(=O)[N-]C1=O ZINC000053286470 1189667389 /nfs/dbraw/zinc/66/73/89/1189667389.db2.gz RQVUHFPJVGZGKG-UHFFFAOYSA-N -1 1 375.263 0.999 20 5 GCBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1C[C@H](O)[C@@H](O)C1 ZINC000433816408 1193950059 /nfs/dbraw/zinc/95/00/59/1193950059.db2.gz VSTVUCOKVVBHPS-HOTGVXAUSA-N -1 1 379.394 0.937 20 5 GCBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000366993717 1194347256 /nfs/dbraw/zinc/34/72/56/1194347256.db2.gz FBYVOJOGVYKMID-FZMZJTMJSA-N -1 1 385.398 0.525 20 5 GCBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000366997062 1194347965 /nfs/dbraw/zinc/34/79/65/1194347965.db2.gz QEXULMLSTKFXRT-BXUZGUMPSA-N -1 1 385.398 0.525 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])n1 ZINC000435811548 1194967119 /nfs/dbraw/zinc/96/71/19/1194967119.db2.gz XFOISNSYHKKZGM-NSHDSACASA-N -1 1 399.404 0.573 20 5 GCBDMM Nc1nccc(C(=O)[N-]c2ncn(CC(=O)N3CCCCCC3)n2)c1[N+](=O)[O-] ZINC000519787706 1195571237 /nfs/dbraw/zinc/57/12/37/1195571237.db2.gz ZSSYRRWLOMKOOU-UHFFFAOYSA-N -1 1 388.388 0.818 20 5 GCBDMM C[C@]1(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)NC(=O)NC1=O ZINC000522439725 1196120275 /nfs/dbraw/zinc/12/02/75/1196120275.db2.gz HAGVKETWZKZUQB-QGZVFWFLSA-N -1 1 385.336 0.680 20 5 GCBDMM COc1cc(NC(=O)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc(OC)c1 ZINC000530728589 1197012354 /nfs/dbraw/zinc/01/23/54/1197012354.db2.gz LCEXEGZMPPOSPW-UHFFFAOYSA-N -1 1 396.381 0.924 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-]CCNC(=O)Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000533635108 1197463447 /nfs/dbraw/zinc/46/34/47/1197463447.db2.gz JXPOPNUACYGFBQ-UHFFFAOYSA-N -1 1 399.404 0.588 20 5 GCBDMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)co1 ZINC000533691331 1197468314 /nfs/dbraw/zinc/46/83/14/1197468314.db2.gz HHYIRZUHTHRBKE-UHFFFAOYSA-N -1 1 395.397 0.453 20 5 GCBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1 ZINC000055589079 1199921021 /nfs/dbraw/zinc/92/10/21/1199921021.db2.gz XPIHDIRNENGDEF-UHFFFAOYSA-N -1 1 392.393 0.919 20 5 GCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCN(C(=O)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC000611107505 1201216670 /nfs/dbraw/zinc/21/66/70/1201216670.db2.gz ZGQYBZCTDPEWFX-NSHDSACASA-N -1 1 394.413 0.399 20 5 GCBDMM CCC[C@@H](NC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)c1nn[n-]n1 ZINC000736430474 1201714889 /nfs/dbraw/zinc/71/48/89/1201714889.db2.gz KQOSEUBIEUOGFW-SNVBAGLBSA-N -1 1 378.345 0.965 20 5 GCBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000742346712 1201796966 /nfs/dbraw/zinc/79/69/66/1201796966.db2.gz BLFDSRLCZBSFIK-BXKDBHETSA-N -1 1 397.388 0.940 20 5 GCBDMM Cn1ncc2c1nc(N[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[nH]c2=O ZINC000769833445 1202075007 /nfs/dbraw/zinc/07/50/07/1202075007.db2.gz SZCJBJMYQFYHRM-UHFFFAOYSA-N -1 1 399.776 0.936 20 5 GCBDMM Cn1ncc2c1nc(N[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[nH]c2=O ZINC000769832687 1202075076 /nfs/dbraw/zinc/07/50/76/1202075076.db2.gz MUFSHPGBUVAVNW-UHFFFAOYSA-N -1 1 399.776 0.936 20 5 GCBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807297816 1205578770 /nfs/dbraw/zinc/57/87/70/1205578770.db2.gz MELDVJVVKWJOIO-UHFFFAOYSA-N -1 1 382.380 0.890 20 5 GCBDMM Cc1nn(CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC001175388196 1205737752 /nfs/dbraw/zinc/73/77/52/1205737752.db2.gz GBXLUMOLJRRSIT-UHFFFAOYSA-N -1 1 377.323 0.935 20 5 GCBDMM