smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)CN1CCOCC2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001164876066 721261829 /nfs/dbraw/zinc/26/18/29/721261829.db2.gz NKCXQHOQYCGEBI-UHFFFAOYSA-N 0 1 377.445 0.997 20 5 GCBDMN CN(C)C(=O)CN1CCOCC2(CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001164869005 721265006 /nfs/dbraw/zinc/26/50/06/721265006.db2.gz IWDJSPYMRVBYKU-UHFFFAOYSA-N 0 1 377.445 0.997 20 5 GCBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892834 721382778 /nfs/dbraw/zinc/38/27/78/721382778.db2.gz TVFPNKRSNMOVOP-HKUYNNGSSA-N 0 1 391.472 0.994 20 5 GCBDMN O=[N+]([O-])c1ccn(CCN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000823647900 946462499 /nfs/dbraw/zinc/46/24/99/946462499.db2.gz PROMMQVZKNWDGF-UHFFFAOYSA-N 0 1 383.416 0.789 20 5 GCBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934753 947378377 /nfs/dbraw/zinc/37/83/77/947378377.db2.gz RNMSKOICWPTFMV-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934753 947378393 /nfs/dbraw/zinc/37/83/93/947378393.db2.gz RNMSKOICWPTFMV-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934753 947378408 /nfs/dbraw/zinc/37/84/08/947378408.db2.gz RNMSKOICWPTFMV-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934753 947378418 /nfs/dbraw/zinc/37/84/18/947378418.db2.gz RNMSKOICWPTFMV-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(n3ccnc3)C2)c1-c1nn[nH]n1 ZINC000826500342 948415378 /nfs/dbraw/zinc/41/53/78/948415378.db2.gz UTELGGMQAGCHLY-UHFFFAOYSA-N 0 1 376.358 0.217 20 5 GCBDMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001606547906 970327306 /nfs/dbraw/zinc/32/73/06/970327306.db2.gz ZNBKREKZRTZDTI-CYBMUJFWSA-N 0 1 375.341 0.881 20 5 GCBDMN O=C([O-])[C@@]1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC001605698448 974116908 /nfs/dbraw/zinc/11/69/08/974116908.db2.gz CZDZXIMQJAXBNT-QGZVFWFLSA-N 0 1 378.385 0.077 20 5 GCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001595317202 980489388 /nfs/dbraw/zinc/48/93/88/980489388.db2.gz NNOPHVWKBRJLMR-VXGBXAGGSA-N 0 1 382.421 0.302 20 5 GCBDMN C[N@H+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C(=O)[O-])C1 ZINC001598604821 993629957 /nfs/dbraw/zinc/62/99/57/993629957.db2.gz XBKXAYSHFCVWNN-SECBINFHSA-N 0 1 384.776 0.662 20 5 GCBDMN C[C@@H](NC(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171367 994030700 /nfs/dbraw/zinc/03/07/00/994030700.db2.gz UBUMTPFQUFFURY-TZMCWYRMSA-N 0 1 392.412 0.709 20 5 GCBDMN CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000285877793 530124843 /nfs/dbraw/zinc/12/48/43/530124843.db2.gz BDQNWFVUSPOQFB-SNVBAGLBSA-N 0 1 385.320 0.853 20 5 GCBDMN CCn1cc(S(=O)(=O)NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000432291936 530189663 /nfs/dbraw/zinc/18/96/63/530189663.db2.gz PGDPXZHHVJXXKL-LBPRGKRZSA-N 0 1 375.451 0.590 20 5 GCBDMN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000262482884 530245950 /nfs/dbraw/zinc/24/59/50/530245950.db2.gz SPPVLGMTFKFSIC-UHFFFAOYSA-N 0 1 375.378 0.950 20 5 GCBDMN CC[N@@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000262482884 530245951 /nfs/dbraw/zinc/24/59/51/530245951.db2.gz SPPVLGMTFKFSIC-UHFFFAOYSA-N 0 1 375.378 0.950 20 5 GCBDMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000477141521 530217102 /nfs/dbraw/zinc/21/71/02/530217102.db2.gz GGIHNZHOYMNOCG-WDEREUQCSA-N 0 1 395.434 0.873 20 5 GCBDMN NS(=O)(=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000551872655 530254699 /nfs/dbraw/zinc/25/46/99/530254699.db2.gz JLPNZFUITJAXGN-NSHDSACASA-N 0 1 387.439 0.833 20 5 GCBDMN O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000288012987 530258282 /nfs/dbraw/zinc/25/82/82/530258282.db2.gz CBIIULLTRFDECU-SECBINFHSA-N 0 1 385.427 0.963 20 5 GCBDMN C[NH+]1CCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289261942 530263450 /nfs/dbraw/zinc/26/34/50/530263450.db2.gz AHYGFKUFYXQMOZ-UHFFFAOYSA-N 0 1 380.829 0.913 20 5 GCBDMN COC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OC ZINC000289541804 530264742 /nfs/dbraw/zinc/26/47/42/530264742.db2.gz RFARJBQVAZVDFR-QMMMGPOBSA-N 0 1 398.752 0.770 20 5 GCBDMN CN1CC[C@](O)(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000545160340 530653121 /nfs/dbraw/zinc/65/31/21/530653121.db2.gz QBPNZEBIVRCWSV-LBPRGKRZSA-N 0 1 394.247 0.702 20 5 GCBDMN COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000485924144 530745118 /nfs/dbraw/zinc/74/51/18/530745118.db2.gz JPNCLGRBTJDRCU-DGCLKSJQSA-N 0 1 378.378 0.833 20 5 GCBDMN CCn1cc(S(=O)(=O)[N-]C[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000532853309 530899572 /nfs/dbraw/zinc/89/95/72/530899572.db2.gz SLFFCRDKOUKILD-GFCCVEGCSA-N 0 1 375.451 0.182 20 5 GCBDMN NC(=O)c1csc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000532870184 530899598 /nfs/dbraw/zinc/89/95/98/530899598.db2.gz HAPPZHFRFRPIEE-UHFFFAOYSA-N 0 1 384.439 0.823 20 5 GCBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCOCCO)CCN(C)C ZINC000443285304 530896094 /nfs/dbraw/zinc/89/60/94/530896094.db2.gz FCTSKIXMOSJZTO-UHFFFAOYSA-N 0 1 375.447 0.464 20 5 GCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000271723641 530925991 /nfs/dbraw/zinc/92/59/91/530925991.db2.gz QSAHMSSLFNYJEF-LLVKDONJSA-N 0 1 377.444 0.040 20 5 GCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@H]1CCCS(=O)(=O)C1 ZINC000271723644 530926037 /nfs/dbraw/zinc/92/60/37/530926037.db2.gz QSAHMSSLFNYJEF-NSHDSACASA-N 0 1 377.444 0.040 20 5 GCBDMN CS(=O)(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285197070 530926651 /nfs/dbraw/zinc/92/66/51/530926651.db2.gz SHXZGAVCDPLMRQ-UHFFFAOYSA-N 0 1 389.814 0.605 20 5 GCBDMN Cc1c(NC(=O)C(=O)NCc2nn[nH]n2)cc(Br)cc1[N+](=O)[O-] ZINC000619532551 530945709 /nfs/dbraw/zinc/94/57/09/530945709.db2.gz NZNWPKFDAIWYMA-UHFFFAOYSA-N 0 1 384.150 0.434 20 5 GCBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000272048229 530946764 /nfs/dbraw/zinc/94/67/64/530946764.db2.gz MLLAAFDARYTRNI-JTQLQIEISA-N 0 1 376.362 0.934 20 5 GCBDMN COC(=O)Cn1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1 ZINC000441853648 530951402 /nfs/dbraw/zinc/95/14/02/530951402.db2.gz AXYVQPJHSXXKQU-UHFFFAOYSA-N 0 1 389.777 0.491 20 5 GCBDMN Cc1nc(CN2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302111068 530953759 /nfs/dbraw/zinc/95/37/59/530953759.db2.gz ZQOHCHSGJFFPNM-UHFFFAOYSA-N 0 1 386.459 0.809 20 5 GCBDMN O=C([O-])C[N@@H+](CCN1CCOCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739789602 600147795 /nfs/dbraw/zinc/14/77/95/600147795.db2.gz DGAVRXVCCAUKEE-UHFFFAOYSA-N 0 1 381.385 0.680 20 5 GCBDMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000739591774 600564990 /nfs/dbraw/zinc/56/49/90/600564990.db2.gz VRKAARDBHMJDJF-ZDUSSCGKSA-N 0 1 377.401 0.799 20 5 GCBDMN O=C([O-])C1CCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000739591774 600564992 /nfs/dbraw/zinc/56/49/92/600564992.db2.gz VRKAARDBHMJDJF-ZDUSSCGKSA-N 0 1 377.401 0.799 20 5 GCBDMN C[C@H](O)C[N@H+]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000827804269 600812817 /nfs/dbraw/zinc/81/28/17/600812817.db2.gz UXPCPDGDPZUODY-AGIUHOORSA-N 0 1 394.428 0.689 20 5 GCBDMN O=C([O-])CNC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000833252172 600819534 /nfs/dbraw/zinc/81/95/34/600819534.db2.gz FXPDPSKRZAWSNR-ZDUSSCGKSA-N 0 1 392.412 0.568 20 5 GCBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832958700 601173103 /nfs/dbraw/zinc/17/31/03/601173103.db2.gz NLYKHGRFWVPNRE-LBPRGKRZSA-N 0 1 378.385 0.849 20 5 GCBDMN CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825839508 607580228 /nfs/dbraw/zinc/58/02/28/607580228.db2.gz HSHATAOLHAXLTP-JTQLQIEISA-N 0 1 395.401 0.016 20 5 GCBDMN COc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)ccn1 ZINC000826179340 607582350 /nfs/dbraw/zinc/58/23/50/607582350.db2.gz KTYPIEMGUACUBU-UHFFFAOYSA-N 0 1 391.369 0.657 20 5 GCBDMN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825220812 607585169 /nfs/dbraw/zinc/58/51/69/607585169.db2.gz WXXXBWRVIGATLY-VHSXEESVSA-N 0 1 382.402 0.963 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1-c1nnn[n-]1 ZINC000826500411 607589402 /nfs/dbraw/zinc/58/94/02/607589402.db2.gz XQSDBCSSCAQEAP-MNOVXSKESA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1-c1nn[n-]n1 ZINC000826500411 607589408 /nfs/dbraw/zinc/58/94/08/607589408.db2.gz XQSDBCSSCAQEAP-MNOVXSKESA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1-c1nn[n-]n1 ZINC000826500411 607589410 /nfs/dbraw/zinc/58/94/10/607589410.db2.gz XQSDBCSSCAQEAP-MNOVXSKESA-N 0 1 393.429 0.680 20 5 GCBDMN O=C(CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)NC1CC1 ZINC000826406370 607589654 /nfs/dbraw/zinc/58/96/54/607589654.db2.gz TWWISMYTTRXFIS-UHFFFAOYSA-N 0 1 395.401 0.112 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1-c1nnn[n-]1 ZINC000826500412 607589679 /nfs/dbraw/zinc/58/96/79/607589679.db2.gz XQSDBCSSCAQEAP-QWRGUYRKSA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1-c1nn[n-]n1 ZINC000826500412 607589682 /nfs/dbraw/zinc/58/96/82/607589682.db2.gz XQSDBCSSCAQEAP-QWRGUYRKSA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1-c1nn[n-]n1 ZINC000826500412 607589683 /nfs/dbraw/zinc/58/96/83/607589683.db2.gz XQSDBCSSCAQEAP-QWRGUYRKSA-N 0 1 393.429 0.680 20 5 GCBDMN CC[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000825044641 607601824 /nfs/dbraw/zinc/60/18/24/607601824.db2.gz QXTVSAKCQDATMW-CYBMUJFWSA-N 0 1 384.374 0.395 20 5 GCBDMN C[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826021676 607602923 /nfs/dbraw/zinc/60/29/23/607602923.db2.gz CNWRQKQOMBPCTH-UHFFFAOYSA-N 0 1 395.445 0.785 20 5 GCBDMN CNC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 ZINC000826050868 607603046 /nfs/dbraw/zinc/60/30/46/607603046.db2.gz GPCRSIYAFVGZET-UHFFFAOYSA-N 0 1 395.401 0.112 20 5 GCBDMN CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825068561 607608482 /nfs/dbraw/zinc/60/84/82/607608482.db2.gz TZGLQLKFLAXNGM-JTQLQIEISA-N 0 1 383.434 0.784 20 5 GCBDMN CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825068561 607608488 /nfs/dbraw/zinc/60/84/88/607608488.db2.gz TZGLQLKFLAXNGM-JTQLQIEISA-N 0 1 383.434 0.784 20 5 GCBDMN CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825068561 607608489 /nfs/dbraw/zinc/60/84/89/607608489.db2.gz TZGLQLKFLAXNGM-JTQLQIEISA-N 0 1 383.434 0.784 20 5 GCBDMN Cc1noc(C)c1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826338971 607610299 /nfs/dbraw/zinc/61/02/99/607610299.db2.gz NHZBIZHWHRLJKJ-UHFFFAOYSA-N 0 1 393.385 0.901 20 5 GCBDMN CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825458732 607612972 /nfs/dbraw/zinc/61/29/72/607612972.db2.gz DXHHQCBLJRKTRN-NSHDSACASA-N 0 1 395.445 0.928 20 5 GCBDMN COC(=O)[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000826098518 607619974 /nfs/dbraw/zinc/61/99/74/607619974.db2.gz HKTLTRXADHIJKV-AWEZNQCLSA-N 0 1 396.385 0.395 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](CCO)C2)c1-c1nn[nH]n1 ZINC000826500194 607633342 /nfs/dbraw/zinc/63/33/42/607633342.db2.gz OBMNSPSMNMEUNC-JTQLQIEISA-N 0 1 382.402 0.558 20 5 GCBDMN CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825391192 607656503 /nfs/dbraw/zinc/65/65/03/607656503.db2.gz WHMILLHCMOHEIQ-NSHDSACASA-N 0 1 395.445 0.737 20 5 GCBDMN CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825391192 607656509 /nfs/dbraw/zinc/65/65/09/607656509.db2.gz WHMILLHCMOHEIQ-NSHDSACASA-N 0 1 395.445 0.737 20 5 GCBDMN CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825391192 607656510 /nfs/dbraw/zinc/65/65/10/607656510.db2.gz WHMILLHCMOHEIQ-NSHDSACASA-N 0 1 395.445 0.737 20 5 GCBDMN CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825860015 607662270 /nfs/dbraw/zinc/66/22/70/607662270.db2.gz KFNVCCMJYWKHFN-UHFFFAOYSA-N 0 1 383.434 0.737 20 5 GCBDMN CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825121715 607665788 /nfs/dbraw/zinc/66/57/88/607665788.db2.gz UQFMIOATCBQGPC-NSHDSACASA-N 0 1 395.445 0.928 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1-c1nn[nH]n1 ZINC000826500075 607668443 /nfs/dbraw/zinc/66/84/43/607668443.db2.gz KCEQQBLBHBVMLE-QMMMGPOBSA-N 0 1 391.373 0.180 20 5 GCBDMN C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[S@](C)=O ZINC000824400123 607674549 /nfs/dbraw/zinc/67/45/49/607674549.db2.gz AILVJWNIXCMHCV-VPCRFOHKSA-N 0 1 388.431 0.210 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CCO)CCC2)c1-c1nn[nH]n1 ZINC000826499983 607676125 /nfs/dbraw/zinc/67/61/25/607676125.db2.gz HFUTVDHEHVNORR-UHFFFAOYSA-N 0 1 382.402 0.606 20 5 GCBDMN CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825833342 607678051 /nfs/dbraw/zinc/67/80/51/607678051.db2.gz GKJHZNFVOINWBS-NSHDSACASA-N 0 1 384.418 0.802 20 5 GCBDMN C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824691350 607678342 /nfs/dbraw/zinc/67/83/42/607678342.db2.gz ZYPNNPPLTSFFQE-NXEZZACHSA-N 0 1 382.402 0.556 20 5 GCBDMN 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0 1 381.407 0.436 20 5 GCBDMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000819513896 597454829 /nfs/dbraw/zinc/45/48/29/597454829.db2.gz VNBSSPVWXFMPPB-LBPRGKRZSA-N 0 1 375.341 0.881 20 5 GCBDMN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1C1CC[NH2+]CC1 ZINC000737592376 599266930 /nfs/dbraw/zinc/26/69/30/599266930.db2.gz NJUHRNLCHOUIFD-UHFFFAOYSA-N 0 1 388.417 0.917 20 5 GCBDMN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000737594073 599267016 /nfs/dbraw/zinc/26/70/16/599267016.db2.gz VZOSYBPULFBWBK-MRVPVSSYSA-N 0 1 388.417 0.917 20 5 GCBDMN CS(=O)(=O)c1cc(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000820894206 598061826 /nfs/dbraw/zinc/06/18/26/598061826.db2.gz FCSVITKCMIWXQF-NSHDSACASA-N 0 1 386.382 0.704 20 5 GCBDMN CS(=O)(=O)c1cc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000820894206 598061828 /nfs/dbraw/zinc/06/18/28/598061828.db2.gz FCSVITKCMIWXQF-NSHDSACASA-N 0 1 386.382 0.704 20 5 GCBDMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000739591772 600564881 /nfs/dbraw/zinc/56/48/81/600564881.db2.gz VRKAARDBHMJDJF-CYBMUJFWSA-N 0 1 377.401 0.799 20 5 GCBDMN O=C([O-])C1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000739591772 600564884 /nfs/dbraw/zinc/56/48/84/600564884.db2.gz VRKAARDBHMJDJF-CYBMUJFWSA-N 0 1 377.401 0.799 20 5 GCBDMN COCC[N@@H+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000831744572 600812938 /nfs/dbraw/zinc/81/29/38/600812938.db2.gz LIMLOIBJFGEPEN-LBPRGKRZSA-N 0 1 380.401 0.566 20 5 GCBDMN COCC[N@H+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000831744572 600812941 /nfs/dbraw/zinc/81/29/41/600812941.db2.gz LIMLOIBJFGEPEN-LBPRGKRZSA-N 0 1 380.401 0.566 20 5 GCBDMN COCC[N@@H+]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000831745413 600813562 /nfs/dbraw/zinc/81/35/62/600813562.db2.gz PSQUVFGVFOVHCY-STQMWFEESA-N 0 1 394.428 0.955 20 5 GCBDMN COCC[N@H+]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000831745413 600813563 /nfs/dbraw/zinc/81/35/63/600813563.db2.gz PSQUVFGVFOVHCY-STQMWFEESA-N 0 1 394.428 0.955 20 5 GCBDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000600869157 601091088 /nfs/dbraw/zinc/09/10/88/601091088.db2.gz KQSKWDDPQUGFMU-LLVKDONJSA-N 0 1 379.369 0.987 20 5 GCBDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000600868178 601102350 /nfs/dbraw/zinc/10/23/50/601102350.db2.gz GHZUQXYAGBHQGA-GFCCVEGCSA-N 0 1 388.384 0.797 20 5 GCBDMN Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832937527 601174281 /nfs/dbraw/zinc/17/42/81/601174281.db2.gz RLRHSUTUBWAPEW-GFCCVEGCSA-N 0 1 378.385 0.849 20 5 GCBDMN C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828448104 601815908 /nfs/dbraw/zinc/81/59/08/601815908.db2.gz BEFWNRSFVPJOCQ-JUKMUDQWSA-N 0 1 376.369 0.972 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826500244 607552401 /nfs/dbraw/zinc/55/24/01/607552401.db2.gz PQWZXHUILAJYSK-GHMZBOCLSA-N 0 1 394.413 0.822 20 5 GCBDMN COc1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826203514 607555209 /nfs/dbraw/zinc/55/52/09/607555209.db2.gz RWQZBGAZXRRMBD-UHFFFAOYSA-N 0 1 391.369 0.657 20 5 GCBDMN CCCCN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825281399 607586932 /nfs/dbraw/zinc/58/69/32/607586932.db2.gz CYHMOMQTHKNVAG-UHFFFAOYSA-N 0 1 383.390 0.051 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1-c1nnn[n-]1 ZINC000826500413 607589619 /nfs/dbraw/zinc/58/96/19/607589619.db2.gz XQSDBCSSCAQEAP-WDEREUQCSA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC000826500413 607589622 /nfs/dbraw/zinc/58/96/22/607589622.db2.gz XQSDBCSSCAQEAP-WDEREUQCSA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC000826500413 607589623 /nfs/dbraw/zinc/58/96/23/607589623.db2.gz XQSDBCSSCAQEAP-WDEREUQCSA-N 0 1 393.429 0.680 20 5 GCBDMN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824908197 607591412 /nfs/dbraw/zinc/59/14/12/607591412.db2.gz NMJBCMXOZKUDPZ-RKDXNWHRSA-N 0 1 395.401 0.049 20 5 GCBDMN CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825452455 607603031 /nfs/dbraw/zinc/60/30/31/607603031.db2.gz OQMUMAOBEYBVON-NSHDSACASA-N 0 1 395.445 0.785 20 5 GCBDMN CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825452455 607603034 /nfs/dbraw/zinc/60/30/34/607603034.db2.gz OQMUMAOBEYBVON-NSHDSACASA-N 0 1 395.445 0.785 20 5 GCBDMN CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825452455 607603035 /nfs/dbraw/zinc/60/30/35/607603035.db2.gz OQMUMAOBEYBVON-NSHDSACASA-N 0 1 395.445 0.785 20 5 GCBDMN CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825068563 607608515 /nfs/dbraw/zinc/60/85/15/607608515.db2.gz TZGLQLKFLAXNGM-SNVBAGLBSA-N 0 1 383.434 0.784 20 5 GCBDMN CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825068563 607608522 /nfs/dbraw/zinc/60/85/22/607608522.db2.gz TZGLQLKFLAXNGM-SNVBAGLBSA-N 0 1 383.434 0.784 20 5 GCBDMN CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825068563 607608524 /nfs/dbraw/zinc/60/85/24/607608524.db2.gz TZGLQLKFLAXNGM-SNVBAGLBSA-N 0 1 383.434 0.784 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3ccnc3C2)c1-c1nn[nH]n1 ZINC000826500090 607622159 /nfs/dbraw/zinc/62/21/59/607622159.db2.gz KTRKLCJYEUWCIV-UHFFFAOYSA-N 0 1 376.358 0.176 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(CO)c2)c1-c1nn[nH]n1 ZINC000826500016 607633334 /nfs/dbraw/zinc/63/33/34/607633334.db2.gz IEDGISQBJLKLOW-UHFFFAOYSA-N 0 1 390.381 0.746 20 5 GCBDMN CC[C@@H](C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825051588 607635879 /nfs/dbraw/zinc/63/58/79/607635879.db2.gz RUTOCMRYIBUMSP-YMTOWFKASA-N 0 1 384.418 0.850 20 5 GCBDMN CSC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826226617 607639701 /nfs/dbraw/zinc/63/97/01/607639701.db2.gz CUGJRJGIDTYBOZ-LBPRGKRZSA-N 0 1 388.431 0.167 20 5 GCBDMN CSC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826228639 607642876 /nfs/dbraw/zinc/64/28/76/607642876.db2.gz VVZKVGQKDUYKAU-MRVPVSSYSA-N 0 1 388.431 0.167 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)c1-c1nn[nH]n1 ZINC000826499988 607643555 /nfs/dbraw/zinc/64/35/55/607643555.db2.gz HJFSYJJIKCDFEV-KOLCDFICSA-N 0 1 382.402 0.604 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)c1-c1nn[nH]n1 ZINC000826500485 607645996 /nfs/dbraw/zinc/64/59/96/607645996.db2.gz ZSGUMVNSJRRMNZ-VHSXEESVSA-N 0 1 382.402 0.604 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cscn2)c1-c1nn[nH]n1 ZINC000826500089 607646113 /nfs/dbraw/zinc/64/61/13/607646113.db2.gz KTQUTNUUBMEYGQ-UHFFFAOYSA-N 0 1 381.399 0.752 20 5 GCBDMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824978648 607653557 /nfs/dbraw/zinc/65/35/57/607653557.db2.gz WYFIFWOYWFWNSO-MNOVXSKESA-N 0 1 395.445 0.782 20 5 GCBDMN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824978648 607653560 /nfs/dbraw/zinc/65/35/60/607653560.db2.gz WYFIFWOYWFWNSO-MNOVXSKESA-N 0 1 395.445 0.782 20 5 GCBDMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824978648 607653561 /nfs/dbraw/zinc/65/35/61/607653561.db2.gz WYFIFWOYWFWNSO-MNOVXSKESA-N 0 1 395.445 0.782 20 5 GCBDMN CC1(O)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824838918 607663787 /nfs/dbraw/zinc/66/37/87/607663787.db2.gz WZQCUHJNSVPFFK-UHFFFAOYSA-N 0 1 382.402 0.747 20 5 GCBDMN CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825121714 607665776 /nfs/dbraw/zinc/66/57/76/607665776.db2.gz UQFMIOATCBQGPC-LLVKDONJSA-N 0 1 395.445 0.928 20 5 GCBDMN CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C(C)(C)C1=O ZINC000826038415 607669369 /nfs/dbraw/zinc/66/93/69/607669369.db2.gz NGLMIALNZRMHQS-UHFFFAOYSA-N 0 1 395.401 0.016 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)c1-c1nn[nH]n1 ZINC000826500182 607671308 /nfs/dbraw/zinc/67/13/08/607671308.db2.gz NVHWFLPHGDHBHT-VIFPVBQESA-N 0 1 390.385 0.334 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccccn2)c1-c1nn[nH]n1 ZINC000826500189 607671572 /nfs/dbraw/zinc/67/15/72/607671572.db2.gz NYVJINMOCVMRGS-UHFFFAOYSA-N 0 1 390.385 0.560 20 5 GCBDMN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824691353 607678291 /nfs/dbraw/zinc/67/82/91/607678291.db2.gz ZYPNNPPLTSFFQE-ZJUUUORDSA-N 0 1 382.402 0.556 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC23CCC3)c1-c1nn[nH]n1 ZINC000826499952 607680697 /nfs/dbraw/zinc/68/06/97/607680697.db2.gz FVIZIIKHAZKJJE-UHFFFAOYSA-N 0 1 380.386 0.719 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(F)n2)c1-c1nn[nH]n1 ZINC000826500035 607680934 /nfs/dbraw/zinc/68/09/34/607680934.db2.gz IYOANYNJBDAHCG-UHFFFAOYSA-N 0 1 379.333 0.788 20 5 GCBDMN COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000833706471 605392309 /nfs/dbraw/zinc/39/23/09/605392309.db2.gz HGWNRJNYDCDGBP-BZPMIXESSA-N 0 1 382.369 0.673 20 5 GCBDMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821575611 606706936 /nfs/dbraw/zinc/70/69/36/606706936.db2.gz IXDLYVKMPMLNNX-LBPRGKRZSA-N 0 1 389.420 0.525 20 5 GCBDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821575611 606706938 /nfs/dbraw/zinc/70/69/38/606706938.db2.gz IXDLYVKMPMLNNX-LBPRGKRZSA-N 0 1 389.420 0.525 20 5 GCBDMN C[C@@H](O)C[NH+]1CCC(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820480300 606707863 /nfs/dbraw/zinc/70/78/63/606707863.db2.gz IQPCDKQLPXIIBC-LLVKDONJSA-N 0 1 376.421 0.699 20 5 GCBDMN C[C@@H](O)C[NH+]1CCC(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820480300 606707864 /nfs/dbraw/zinc/70/78/64/606707864.db2.gz IQPCDKQLPXIIBC-LLVKDONJSA-N 0 1 376.421 0.699 20 5 GCBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC(C)(C)O1 ZINC000820766867 606732530 /nfs/dbraw/zinc/73/25/30/606732530.db2.gz DJNBMCNRDJFCND-SECBINFHSA-N 0 1 382.402 0.963 20 5 GCBDMN CCOC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821367352 606733095 /nfs/dbraw/zinc/73/30/95/606733095.db2.gz HKJTZAUBYOQOHJ-UHFFFAOYSA-N 0 1 382.402 0.965 20 5 GCBDMN NC(=O)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000822865052 606733425 /nfs/dbraw/zinc/73/34/25/606733425.db2.gz TZDUCSXGOGOZND-UHFFFAOYSA-N 0 1 395.401 0.051 20 5 GCBDMN CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821268056 606736314 /nfs/dbraw/zinc/73/63/14/606736314.db2.gz 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O=C([O-])c1cc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cc([N+](=O)[O-])c1 ZINC001176675473 1205751755 /nfs/dbraw/zinc/75/17/55/1205751755.db2.gz ZAEVEOPXPINROM-UHFFFAOYSA-N 0 1 388.384 0.941 20 5 GCBDMN O=Cc1ccc(OCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001180054465 1205817398 /nfs/dbraw/zinc/81/73/98/1205817398.db2.gz NUJJDUBNTWRHNV-LSDHHAIUSA-N 0 1 377.397 0.844 20 5 GCBDMN C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001188245603 1205977167 /nfs/dbraw/zinc/97/71/67/1205977167.db2.gz HKJOWTSWBLHWDE-HIFRSBDPSA-N 0 1 398.485 0.947 20 5 GCBDMN C[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001188245600 1205977233 /nfs/dbraw/zinc/97/72/33/1205977233.db2.gz HKJOWTSWBLHWDE-DZGCQCFKSA-N 0 1 398.485 0.947 20 5 GCBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001190603903 1206039993 /nfs/dbraw/zinc/03/99/93/1206039993.db2.gz RKYNPTIZTSKGLF-JTQLQIEISA-N 0 1 383.407 0.839 20 5 GCBDMN 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COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001598822591 996345844 /nfs/dbraw/zinc/34/58/44/996345844.db2.gz RFYZIPVESKRDKW-ZJUUUORDSA-N 0 1 385.760 0.992 20 5 GCBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261918185 530194693 /nfs/dbraw/zinc/19/46/93/530194693.db2.gz YJPAOZZTMRUPCE-GFCCVEGCSA-N 0 1 382.364 0.709 20 5 GCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000599315715 530161974 /nfs/dbraw/zinc/16/19/74/530161974.db2.gz QXRRBALXLRWGSV-SECBINFHSA-N 0 1 386.411 0.178 20 5 GCBDMN CN1C(=O)C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1=O ZINC000561554111 530222543 /nfs/dbraw/zinc/22/25/43/530222543.db2.gz DQMBPPXYXFJQRS-ZETCQYMHSA-N 0 1 382.181 0.937 20 5 GCBDMN CCN(CCO)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000274367197 530316141 /nfs/dbraw/zinc/31/61/41/530316141.db2.gz FRMAKKHEHHNMJE-UHFFFAOYSA-N 0 1 396.263 0.950 20 5 GCBDMN O=C(NC[C@H]1COCCN1)c1cc(I)cc([N+](=O)[O-])c1 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ATDREOLIRQTUTL-LBPRGKRZSA-N 0 1 383.348 0.959 20 5 GCBDMN Cn1cc(CN2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000737601350 598502563 /nfs/dbraw/zinc/50/25/63/598502563.db2.gz HYXWTJCSRLRQBK-UHFFFAOYSA-N 0 1 384.404 0.616 20 5 GCBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000823651480 599308233 /nfs/dbraw/zinc/30/82/33/599308233.db2.gz LMCFVMYWHGITCZ-AWEZNQCLSA-N 0 1 399.415 0.155 20 5 GCBDMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000739161579 599942831 /nfs/dbraw/zinc/94/28/31/599942831.db2.gz WJYQQDSEMJQOAP-OAHLLOKOSA-N 0 1 390.396 0.847 20 5 GCBDMN CCOCC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830012258 600812790 /nfs/dbraw/zinc/81/27/90/600812790.db2.gz XSXCFLOEPSRPQO-ZDUSSCGKSA-N 0 1 394.428 0.956 20 5 GCBDMN CCOCC[NH+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830011935 600812964 /nfs/dbraw/zinc/81/29/64/600812964.db2.gz QQNJFDCVEKALBR-UHFFFAOYSA-N 0 1 380.401 0.568 20 5 GCBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000600869162 601091637 /nfs/dbraw/zinc/09/16/37/601091637.db2.gz KQSKWDDPQUGFMU-NSHDSACASA-N 0 1 379.369 0.987 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826500247 607552553 /nfs/dbraw/zinc/55/25/53/607552553.db2.gz PQWZXHUILAJYSK-WDEREUQCSA-N 0 1 394.413 0.822 20 5 GCBDMN CC[NH+](CC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825412548 607573639 /nfs/dbraw/zinc/57/36/39/607573639.db2.gz RGWFCTAXMQVCCE-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825888617 607580068 /nfs/dbraw/zinc/58/00/68/607580068.db2.gz SWLVQKQDAPVTHQ-UHFFFAOYSA-N 0 1 395.401 0.018 20 5 GCBDMN C[C@@H](Cn1cccn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824464199 607586371 /nfs/dbraw/zinc/58/63/71/607586371.db2.gz GAACDWMNZOFYQC-VIFPVBQESA-N 0 1 378.374 0.338 20 5 GCBDMN C[C@H](Cn1cccn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824464197 607586390 /nfs/dbraw/zinc/58/63/90/607586390.db2.gz GAACDWMNZOFYQC-SECBINFHSA-N 0 1 378.374 0.338 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1-c1nnn[n-]1 ZINC000826500068 607587977 /nfs/dbraw/zinc/58/79/77/607587977.db2.gz JZMKUOLTAPSCSH-SNVBAGLBSA-N 0 1 393.429 0.538 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000826500068 607587983 /nfs/dbraw/zinc/58/79/83/607587983.db2.gz JZMKUOLTAPSCSH-SNVBAGLBSA-N 0 1 393.429 0.538 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000826500068 607587985 /nfs/dbraw/zinc/58/79/85/607587985.db2.gz JZMKUOLTAPSCSH-SNVBAGLBSA-N 0 1 393.429 0.538 20 5 GCBDMN C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824947990 607588743 /nfs/dbraw/zinc/58/87/43/607588743.db2.gz SFEJTNDDOFEGAK-LLVKDONJSA-N 0 1 395.445 0.785 20 5 GCBDMN Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826288348 607590384 /nfs/dbraw/zinc/59/03/84/607590384.db2.gz CARPARXGCPGXMD-UHFFFAOYSA-N 0 1 375.370 0.957 20 5 GCBDMN C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC000824427092 607591611 /nfs/dbraw/zinc/59/16/11/607591611.db2.gz LFPCHMFCFLBPNW-LLVKDONJSA-N 0 1 395.445 0.785 20 5 GCBDMN CC[C@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000825044642 607601892 /nfs/dbraw/zinc/60/18/92/607601892.db2.gz QXTVSAKCQDATMW-ZDUSSCGKSA-N 0 1 384.374 0.395 20 5 GCBDMN O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)NC1CCCC1 ZINC000826413147 607602488 /nfs/dbraw/zinc/60/24/88/607602488.db2.gz SZNFOSOAOWJHQY-UHFFFAOYSA-N 0 1 395.401 0.112 20 5 GCBDMN Cn1cc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826360784 607605266 /nfs/dbraw/zinc/60/52/66/607605266.db2.gz YAVNZANWVIHZFG-UHFFFAOYSA-N 0 1 392.401 0.420 20 5 GCBDMN Cc1cccnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826308263 607609444 /nfs/dbraw/zinc/60/94/44/607609444.db2.gz QMCUQEKBSIPDFH-UHFFFAOYSA-N 0 1 375.370 0.957 20 5 GCBDMN C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999192 607614731 /nfs/dbraw/zinc/61/47/31/607614731.db2.gz DLEXJPUMIQGEIJ-QWRGUYRKSA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999192 607614735 /nfs/dbraw/zinc/61/47/35/607614735.db2.gz DLEXJPUMIQGEIJ-QWRGUYRKSA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999192 607614736 /nfs/dbraw/zinc/61/47/36/607614736.db2.gz DLEXJPUMIQGEIJ-QWRGUYRKSA-N 0 1 393.429 0.632 20 5 GCBDMN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826390322 607621933 /nfs/dbraw/zinc/62/19/33/607621933.db2.gz WRYDZXODKHJTCS-RKDXNWHRSA-N 0 1 395.401 0.097 20 5 GCBDMN NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826390321 607622062 /nfs/dbraw/zinc/62/20/62/607622062.db2.gz WRYDZXODKHJTCS-IUCAKERBSA-N 0 1 395.401 0.097 20 5 GCBDMN CCCCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825276470 607623384 /nfs/dbraw/zinc/62/33/84/607623384.db2.gz YCNTWLAORCINMX-UHFFFAOYSA-N 0 1 384.418 0.948 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccco2)c1-c1nn[nH]n1 ZINC000826500333 607626167 /nfs/dbraw/zinc/62/61/67/607626167.db2.gz UKGASPKDOGQSOH-VIFPVBQESA-N 0 1 380.342 0.380 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826499854 607627328 /nfs/dbraw/zinc/62/73/28/607627328.db2.gz AULGXWFPPGEFOK-GFCCVEGCSA-N 0 1 396.429 0.994 20 5 GCBDMN CCCN(CC(C)(C)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825308295 607632039 /nfs/dbraw/zinc/63/20/39/607632039.db2.gz ZZKBLJWHMVUUBY-UHFFFAOYSA-N 0 1 384.418 0.947 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCCCO)c1-c1nn[nH]n1 ZINC000826500064 607633295 /nfs/dbraw/zinc/63/32/95/607633295.db2.gz JRFXNWBVYJKQHC-UHFFFAOYSA-N 0 1 388.431 0.169 20 5 GCBDMN CC[C@@H](C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825051586 607635839 /nfs/dbraw/zinc/63/58/39/607635839.db2.gz RUTOCMRYIBUMSP-OTYXRUKQSA-N 0 1 384.418 0.850 20 5 GCBDMN CCCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825339173 607660703 /nfs/dbraw/zinc/66/07/03/607660703.db2.gz QCJZIQFGJYKGIB-UHFFFAOYSA-N 0 1 384.374 0.397 20 5 GCBDMN NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826390035 607662922 /nfs/dbraw/zinc/66/29/22/607662922.db2.gz OJGZZIIWDVKAGP-RKDXNWHRSA-N 0 1 395.401 0.097 20 5 GCBDMN NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826390033 607663029 /nfs/dbraw/zinc/66/30/29/607663029.db2.gz OJGZZIIWDVKAGP-DTWKUNHWSA-N 0 1 395.401 0.097 20 5 GCBDMN CCOC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825486005 607673618 /nfs/dbraw/zinc/67/36/18/607673618.db2.gz LOIFWJINVXOTGC-MRVPVSSYSA-N 0 1 384.374 0.252 20 5 GCBDMN C[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[S@@](C)=O ZINC000824400121 607674773 /nfs/dbraw/zinc/67/47/73/607674773.db2.gz AILVJWNIXCMHCV-KFKUIPHHSA-N 0 1 388.431 0.210 20 5 GCBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000824640538 607673374 /nfs/dbraw/zinc/67/33/74/607673374.db2.gz KLHUXOMQDAMDCY-MRVPVSSYSA-N 0 1 398.401 0.783 20 5 GCBDMN COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 ZINC000826123842 607678852 /nfs/dbraw/zinc/67/88/52/607678852.db2.gz MNMKWDMEOPZYJO-UHFFFAOYSA-N 0 1 382.358 0.149 20 5 GCBDMN COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000833707899 605696263 /nfs/dbraw/zinc/69/62/63/605696263.db2.gz NGDGXCMNVXDOSA-KYOSRNDESA-N 0 1 382.369 0.673 20 5 GCBDMN COCCN(CCOC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821690018 606731418 /nfs/dbraw/zinc/73/14/18/606731418.db2.gz WCIBLRAZWRLZGV-UHFFFAOYSA-N 0 1 386.390 0.058 20 5 GCBDMN CCOC(=O)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821330806 606732594 /nfs/dbraw/zinc/73/25/94/606732594.db2.gz SQKHKHGWYGWOON-UHFFFAOYSA-N 0 1 384.374 0.349 20 5 GCBDMN CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821593621 606733131 /nfs/dbraw/zinc/73/31/31/606733131.db2.gz BQGBQFRTKGBZAK-UHFFFAOYSA-N 0 1 398.401 0.737 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cncnc3C2)c1-c1nn[nH]n1 ZINC000823648377 606735507 /nfs/dbraw/zinc/73/55/07/606735507.db2.gz VWBOVUJDJVDUPM-UHFFFAOYSA-N 0 1 388.369 0.312 20 5 GCBDMN CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000821268054 606736067 /nfs/dbraw/zinc/73/60/67/606736067.db2.gz SAGXLEJYNLNKJT-LLVKDONJSA-N 0 1 395.445 0.880 20 5 GCBDMN CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821268054 606736073 /nfs/dbraw/zinc/73/60/73/606736073.db2.gz SAGXLEJYNLNKJT-LLVKDONJSA-N 0 1 395.445 0.880 20 5 GCBDMN CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821268054 606736074 /nfs/dbraw/zinc/73/60/74/606736074.db2.gz SAGXLEJYNLNKJT-LLVKDONJSA-N 0 1 395.445 0.880 20 5 GCBDMN CN(CCOCC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821603675 606736827 /nfs/dbraw/zinc/73/68/27/606736827.db2.gz JLEMMUNORSRXLW-UHFFFAOYSA-N 0 1 382.402 0.822 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)c2ccccc2)c1-c1nn[nH]n1 ZINC000823648272 607154810 /nfs/dbraw/zinc/15/48/10/607154810.db2.gz TWBLMPYVBFFHSH-UHFFFAOYSA-N 0 1 390.381 0.963 20 5 GCBDMN CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825908400 607853742 /nfs/dbraw/zinc/85/37/42/607853742.db2.gz HHUJUTZSOVZEOA-ONGXEEELSA-N 0 1 382.402 0.556 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)c1-c1nn[nH]n1 ZINC000826500478 607971450 /nfs/dbraw/zinc/97/14/50/607971450.db2.gz ZQEOQLWXUALPGJ-VHSXEESVSA-N 0 1 382.402 0.604 20 5 GCBDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])s2)c1-c1nn[n-]n1 ZINC000826083536 608019908 /nfs/dbraw/zinc/01/99/08/608019908.db2.gz MEGIQDOYLMNZCE-UHFFFAOYSA-N 0 1 377.390 0.964 20 5 GCBDMN CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824266630 608110923 /nfs/dbraw/zinc/11/09/23/608110923.db2.gz OLCOMSQTPCQFNL-VIFPVBQESA-N 0 1 398.401 0.641 20 5 GCBDMN C[C@@H]1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824886281 608155414 /nfs/dbraw/zinc/15/54/14/608155414.db2.gz WSBLKLMYGCINBB-NXEZZACHSA-N 0 1 382.402 0.868 20 5 GCBDMN CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824172654 608439952 /nfs/dbraw/zinc/43/99/52/608439952.db2.gz NBIQWGIJPHEQEW-NSHDSACASA-N 0 1 382.402 0.699 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccn2)c1-c1nn[nH]n1 ZINC000826499869 608567872 /nfs/dbraw/zinc/56/78/72/608567872.db2.gz BNUNCDUYFADTPG-LLVKDONJSA-N 0 1 391.369 0.182 20 5 GCBDMN O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000826431335 609179400 /nfs/dbraw/zinc/17/94/00/609179400.db2.gz YPAHYTVGZGESRO-LLVKDONJSA-N 0 1 397.355 0.423 20 5 GCBDMN O=C(CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)N1CCOCC1 ZINC000795775009 641524617 /nfs/dbraw/zinc/52/46/17/641524617.db2.gz AFNIZDSUQLZLMA-UHFFFAOYSA-N 0 1 395.796 0.915 20 5 GCBDMN O=C(NCCc1nc[nH]n1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810379703 641727586 /nfs/dbraw/zinc/72/75/86/641727586.db2.gz JOKMOTKCGDIKBA-UHFFFAOYSA-N 0 1 383.162 0.773 20 5 GCBDMN CC(C)OCCS(=O)(=O)NCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837555090 642276009 /nfs/dbraw/zinc/27/60/09/642276009.db2.gz AGWYLQQIRVBYKC-UHFFFAOYSA-N 0 1 376.387 0.688 20 5 GCBDMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000764 642290223 /nfs/dbraw/zinc/29/02/23/642290223.db2.gz FZCZMNFEIXKHIE-ZWNOBZJWSA-N 0 1 389.817 0.965 20 5 GCBDMN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCN(Cc2nnc[nH]2)CC1 ZINC000846528331 642491338 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ILUCFLUGLJFMFY-UHFFFAOYSA-N 0 1 397.457 0.434 20 5 GCBDMN COc1cc(CCNC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000419022746 1192725100 /nfs/dbraw/zinc/72/51/00/1192725100.db2.gz LQIXWUGBJKMJMY-VXGBXAGGSA-N 0 1 394.428 0.480 20 5 GCBDMN COc1cc(CCNC(=O)C(=O)N2CCNC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000419027808 1192729150 /nfs/dbraw/zinc/72/91/50/1192729150.db2.gz QLSZHDBMZIMJSN-UHFFFAOYSA-N 0 1 394.428 0.481 20 5 GCBDMN COc1cc(CCNC(=O)C(=O)N2CCN[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000419032547 1192733283 /nfs/dbraw/zinc/73/32/83/1192733283.db2.gz VWZDSDROVSORFH-LLVKDONJSA-N 0 1 380.401 0.091 20 5 GCBDMN O=C(NCCS(=O)(=O)N1CCSCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500849326 1192834958 /nfs/dbraw/zinc/83/49/58/1192834958.db2.gz NBRWQPHDYRBHRV-UHFFFAOYSA-N 0 1 399.454 0.580 20 5 GCBDMN NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000428739443 1192923407 /nfs/dbraw/zinc/92/34/07/1192923407.db2.gz QWLXWWBWUWZCRE-AWEZNQCLSA-N 0 1 393.448 0.478 20 5 GCBDMN 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/nfs/dbraw/zinc/74/48/39/530744839.db2.gz JPNCLGRBTJDRCU-AAEUAGOBSA-N 0 1 378.378 0.833 20 5 GCBDMN Cc1cc(S(N)(=O)=O)ccc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000618374506 530767188 /nfs/dbraw/zinc/76/71/88/530767188.db2.gz BEVDDEUKHASXKI-UHFFFAOYSA-N 0 1 386.411 0.424 20 5 GCBDMN O=C(NC[C@@H]1COCCN1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602550479 530934257 /nfs/dbraw/zinc/93/42/57/530934257.db2.gz JDGQOMJMAGZDOQ-SNVBAGLBSA-N 0 1 391.165 0.918 20 5 GCBDMN CCS(=O)(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281233347 530922021 /nfs/dbraw/zinc/92/20/21/530922021.db2.gz SGEVOUWVCVNOCW-UHFFFAOYSA-N 0 1 389.814 0.605 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000271684607 530924391 /nfs/dbraw/zinc/92/43/91/530924391.db2.gz JECMJGWWRVEEHD-NSHDSACASA-N 0 1 377.444 0.040 20 5 GCBDMN CS(=O)(=O)N1CCC(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000299647592 530928373 /nfs/dbraw/zinc/92/83/73/530928373.db2.gz RRWPVDZXNMSSTN-UHFFFAOYSA-N 0 1 395.434 0.684 20 5 GCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nc[nH]n2)c(Br)c1 ZINC000447042198 530995476 /nfs/dbraw/zinc/99/54/76/530995476.db2.gz QGXYXDJQSAOHCN-UHFFFAOYSA-N 0 1 376.192 0.996 20 5 GCBDMN C[C@@H](O)CN1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820479739 599522767 /nfs/dbraw/zinc/52/27/67/599522767.db2.gz BPLPDRGEYVDRFV-LLVKDONJSA-N 0 1 384.400 0.826 20 5 GCBDMN CC[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000829160290 600812982 /nfs/dbraw/zinc/81/29/82/600812982.db2.gz HGOKKYHDDWNEDZ-TZMCWYRMSA-N 0 1 394.428 0.691 20 5 GCBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000600868179 601102564 /nfs/dbraw/zinc/10/25/64/601102564.db2.gz GHZUQXYAGBHQGA-LBPRGKRZSA-N 0 1 388.384 0.797 20 5 GCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832481756 601171201 /nfs/dbraw/zinc/17/12/01/601171201.db2.gz PQJILQPRTCISEJ-NSHDSACASA-N 0 1 394.384 0.549 20 5 GCBDMN Cc1c(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000832856479 601172830 /nfs/dbraw/zinc/17/28/30/601172830.db2.gz WAUMRKXUNXPNSN-LLVKDONJSA-N 0 1 378.385 0.849 20 5 GCBDMN C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448110 601815836 /nfs/dbraw/zinc/81/58/36/601815836.db2.gz BEFWNRSFVPJOCQ-PGQWDYDZSA-N 0 1 376.369 0.972 20 5 GCBDMN C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828448107 601815940 /nfs/dbraw/zinc/81/59/40/601815940.db2.gz BEFWNRSFVPJOCQ-OMXAPOSASA-N 0 1 376.369 0.972 20 5 GCBDMN C[C@H](NC(=O)c1ccc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827702975 602137893 /nfs/dbraw/zinc/13/78/93/602137893.db2.gz FZAMSYNMXKOBPC-LKTVYLICSA-N 0 1 378.385 0.317 20 5 GCBDMN CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000830547178 602271582 /nfs/dbraw/zinc/27/15/82/602271582.db2.gz JEXJXTBZNQBVOA-UHFFFAOYSA-N 0 1 378.385 0.529 20 5 GCBDMN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825406353 607587074 /nfs/dbraw/zinc/58/70/74/607587074.db2.gz LMCLXPXSLQWTDW-JTQLQIEISA-N 0 1 383.434 0.784 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nnn[n-]1 ZINC000826500067 607588399 /nfs/dbraw/zinc/58/83/99/607588399.db2.gz JZMKUOLTAPSCSH-JTQLQIEISA-N 0 1 393.429 0.538 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000826500067 607588402 /nfs/dbraw/zinc/58/84/02/607588402.db2.gz JZMKUOLTAPSCSH-JTQLQIEISA-N 0 1 393.429 0.538 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nn[n-]n1 ZINC000826500067 607588403 /nfs/dbraw/zinc/58/84/03/607588403.db2.gz JZMKUOLTAPSCSH-JTQLQIEISA-N 0 1 393.429 0.538 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1-c1nn[nH]n1 ZINC000826500441 607589746 /nfs/dbraw/zinc/58/97/46/607589746.db2.gz YLMHBKVAAMMJGE-JTQLQIEISA-N 0 1 394.413 0.965 20 5 GCBDMN Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000826298430 607592761 /nfs/dbraw/zinc/59/27/61/607592761.db2.gz RUWPKYGUMXYRNR-UHFFFAOYSA-N 0 1 375.370 0.957 20 5 GCBDMN CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825418334 607595123 /nfs/dbraw/zinc/59/51/23/607595123.db2.gz ZXUDEFPQLPFZHX-SNVBAGLBSA-N 0 1 382.402 0.965 20 5 GCBDMN CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825443469 607597712 /nfs/dbraw/zinc/59/77/12/607597712.db2.gz CDQMYSRBBZLTAE-UHFFFAOYSA-N 0 1 392.401 0.719 20 5 GCBDMN CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CC1 ZINC000825424711 607604528 /nfs/dbraw/zinc/60/45/28/607604528.db2.gz OPWCQMTUEMDEDQ-UHFFFAOYSA-N 0 1 381.418 0.538 20 5 GCBDMN CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824093441 607605814 /nfs/dbraw/zinc/60/58/14/607605814.db2.gz IFTDOPWTBBGVQD-UHFFFAOYSA-N 0 1 397.417 0.358 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@@H]2CCCO2)c1-c1nn[nH]n1 ZINC000826500323 607617929 /nfs/dbraw/zinc/61/79/29/607617929.db2.gz UENWYSQNZFYEJA-JTQLQIEISA-N 0 1 398.401 0.249 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)c2ccccc2)c1-c1nn[nH]n1 ZINC000826500162 607623600 /nfs/dbraw/zinc/62/36/00/607623600.db2.gz NJIHFDNKAALHNA-LBPRGKRZSA-N 0 1 390.381 0.787 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1-c1nn[nH]n1 ZINC000826500134 607624333 /nfs/dbraw/zinc/62/43/33/607624333.db2.gz MIOQTCSVAAZESL-LLVKDONJSA-N 0 1 390.381 0.787 20 5 GCBDMN Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)o1 ZINC000826284254 607644120 /nfs/dbraw/zinc/64/41/20/607644120.db2.gz NYBUBQIMDPCJSB-SNVBAGLBSA-N 0 1 394.369 0.688 20 5 GCBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC[N@H+]1C ZINC000824893077 607646957 /nfs/dbraw/zinc/64/69/57/607646957.db2.gz OZTSMOPLEIZHAO-ZJUUUORDSA-N 0 1 381.418 0.536 20 5 GCBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC[N@H+]1C ZINC000824893073 607647046 /nfs/dbraw/zinc/64/70/46/607647046.db2.gz OZTSMOPLEIZHAO-NXEZZACHSA-N 0 1 381.418 0.536 20 5 GCBDMN Cn1cc(C(C)(C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826359120 607647517 /nfs/dbraw/zinc/64/75/17/607647517.db2.gz WMOWEWBHGVGSQU-UHFFFAOYSA-N 0 1 392.401 0.722 20 5 GCBDMN CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824978650 607653488 /nfs/dbraw/zinc/65/34/88/607653488.db2.gz WYFIFWOYWFWNSO-WDEREUQCSA-N 0 1 395.445 0.782 20 5 GCBDMN CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824978650 607653491 /nfs/dbraw/zinc/65/34/91/607653491.db2.gz WYFIFWOYWFWNSO-WDEREUQCSA-N 0 1 395.445 0.782 20 5 GCBDMN CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824978650 607653492 /nfs/dbraw/zinc/65/34/92/607653492.db2.gz WYFIFWOYWFWNSO-WDEREUQCSA-N 0 1 395.445 0.782 20 5 GCBDMN CCC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000825176449 607650499 /nfs/dbraw/zinc/65/04/99/607650499.db2.gz TVVYDCLSLJNSHR-UHFFFAOYSA-N 0 1 382.402 0.701 20 5 GCBDMN CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825307605 607658685 /nfs/dbraw/zinc/65/86/85/607658685.db2.gz GXDZIGDQECGQSI-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN CCC[N@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825307605 607658690 /nfs/dbraw/zinc/65/86/90/607658690.db2.gz GXDZIGDQECGQSI-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825307605 607658692 /nfs/dbraw/zinc/65/86/92/607658692.db2.gz GXDZIGDQECGQSI-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN C[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC[C@H]1O ZINC000824823725 607660742 /nfs/dbraw/zinc/66/07/42/607660742.db2.gz OENXXYDGXZNHIS-IUODEOHRSA-N 0 1 396.429 0.994 20 5 GCBDMN COC(=O)CN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826138489 607665816 /nfs/dbraw/zinc/66/58/16/607665816.db2.gz WUFHEUYFLVVPEE-UHFFFAOYSA-N 0 1 382.358 0.101 20 5 GCBDMN Cn1cnc2c1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C2 ZINC000826364695 607666083 /nfs/dbraw/zinc/66/60/83/607666083.db2.gz GSFAHLCOWIWFBT-UHFFFAOYSA-N 0 1 390.385 0.255 20 5 GCBDMN CO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1(C)C ZINC000826144509 607667243 /nfs/dbraw/zinc/66/72/43/607667243.db2.gz LOOJGDJZLZWMRY-GHMZBOCLSA-N 0 1 382.402 0.867 20 5 GCBDMN CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825034905 607673263 /nfs/dbraw/zinc/67/32/63/607673263.db2.gz TXSKBCUILVJMKT-SECBINFHSA-N 0 1 395.401 0.064 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)c1-c1nn[nH]n1 ZINC000826500181 607671546 /nfs/dbraw/zinc/67/15/46/607671546.db2.gz NVHWFLPHGDHBHT-SECBINFHSA-N 0 1 390.385 0.334 20 5 GCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833628088 605187595 /nfs/dbraw/zinc/18/75/95/605187595.db2.gz AZBVBGFWKCNVLK-LLVKDONJSA-N 0 1 394.384 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O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1-c1nnn[n-]1 ZINC000826500410 607589603 /nfs/dbraw/zinc/58/96/03/607589603.db2.gz XQSDBCSSCAQEAP-GHMZBOCLSA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC000826500410 607589606 /nfs/dbraw/zinc/58/96/06/607589606.db2.gz XQSDBCSSCAQEAP-GHMZBOCLSA-N 0 1 393.429 0.680 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC000826500410 607589607 /nfs/dbraw/zinc/58/96/07/607589607.db2.gz XQSDBCSSCAQEAP-GHMZBOCLSA-N 0 1 393.429 0.680 20 5 GCBDMN Cc1nccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000826330214 607594964 /nfs/dbraw/zinc/59/49/64/607594964.db2.gz KDIBBOUYBLTEAS-UHFFFAOYSA-N 0 1 376.358 0.352 20 5 GCBDMN CC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000825453610 607595212 /nfs/dbraw/zinc/59/52/12/607595212.db2.gz VYMWSECEYKRDGY-UHFFFAOYSA-N 0 1 395.445 0.785 20 5 GCBDMN CCC(CC)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(N)=O ZINC000825096350 607601499 /nfs/dbraw/zinc/60/14/99/607601499.db2.gz MLHUNFAOWPPBMM-UHFFFAOYSA-N 0 1 383.390 0.097 20 5 GCBDMN COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)(C)C ZINC000826112086 607616579 /nfs/dbraw/zinc/61/65/79/607616579.db2.gz RYEDGJBLAVAGAQ-LLVKDONJSA-N 0 1 398.401 0.641 20 5 GCBDMN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826390319 607622123 /nfs/dbraw/zinc/62/21/23/607622123.db2.gz WRYDZXODKHJTCS-BDAKNGLRSA-N 0 1 395.401 0.097 20 5 GCBDMN C[C@@H](O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824690958 607630638 /nfs/dbraw/zinc/63/06/38/607630638.db2.gz WRCUNOWUOPGYDI-SECBINFHSA-N 0 1 382.402 0.556 20 5 GCBDMN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825051585 607635512 /nfs/dbraw/zinc/63/55/12/607635512.db2.gz RUTOCMRYIBUMSP-LKFCYVNXSA-N 0 1 384.418 0.850 20 5 GCBDMN CC(C)(C)C[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824085520 607637676 /nfs/dbraw/zinc/63/76/76/607637676.db2.gz FLNCXISFGLVNIW-SECBINFHSA-N 0 1 384.418 0.850 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c1-c1nn[nH]n1 ZINC000826499877 607639017 /nfs/dbraw/zinc/63/90/17/607639017.db2.gz BUUWRAHBXPSSHX-QMMMGPOBSA-N 0 1 396.307 0.367 20 5 GCBDMN CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824305079 607651716 /nfs/dbraw/zinc/65/17/16/607651716.db2.gz KLHJPCIEBANASM-SECBINFHSA-N 0 1 398.401 0.641 20 5 GCBDMN Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826333655 607656753 /nfs/dbraw/zinc/65/67/53/607656753.db2.gz QBUXJXQZMYZENP-UHFFFAOYSA-N 0 1 392.401 0.604 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826499874 607658969 /nfs/dbraw/zinc/65/89/69/607658969.db2.gz BPRFBEAETJQTSC-NSHDSACASA-N 0 1 396.429 0.994 20 5 GCBDMN C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825854471 607662358 /nfs/dbraw/zinc/66/23/58/607662358.db2.gz BNTIPVVLSJSXHH-MNOVXSKESA-N 0 1 395.445 0.926 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CCCCC2)c1-c1nn[nH]n1 ZINC000826500066 607666978 /nfs/dbraw/zinc/66/69/78/607666978.db2.gz JWYKIFTWOWODQR-UHFFFAOYSA-N 0 1 396.429 0.996 20 5 GCBDMN CO[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1(C)C ZINC000826144510 607667721 /nfs/dbraw/zinc/66/77/21/607667721.db2.gz LOOJGDJZLZWMRY-MNOVXSKESA-N 0 1 382.402 0.867 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1-c1nn[nH]n1 ZINC000826500074 607668200 /nfs/dbraw/zinc/66/82/00/607668200.db2.gz KCEQQBLBHBVMLE-MRVPVSSYSA-N 0 1 391.373 0.180 20 5 GCBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000833626565 605166389 /nfs/dbraw/zinc/16/63/89/605166389.db2.gz PMYLKZNSWLRSHS-LBPRGKRZSA-N 0 1 388.384 0.797 20 5 GCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822472646 606700970 /nfs/dbraw/zinc/70/09/70/606700970.db2.gz WFBMRTRILMFXTG-UHFFFAOYSA-N 0 1 375.397 0.150 20 5 GCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822472646 606700971 /nfs/dbraw/zinc/70/09/71/606700971.db2.gz WFBMRTRILMFXTG-UHFFFAOYSA-N 0 1 375.397 0.150 20 5 GCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822472646 606700972 /nfs/dbraw/zinc/70/09/72/606700972.db2.gz WFBMRTRILMFXTG-UHFFFAOYSA-N 0 1 375.397 0.150 20 5 GCBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822472646 606700973 /nfs/dbraw/zinc/70/09/73/606700973.db2.gz WFBMRTRILMFXTG-UHFFFAOYSA-N 0 1 375.397 0.150 20 5 GCBDMN NC(=O)[C@@H]1CCC[N@H+](CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822860321 606707664 /nfs/dbraw/zinc/70/76/64/606707664.db2.gz RGNPENRLUHUJLT-SNVBAGLBSA-N 0 1 375.393 0.169 20 5 GCBDMN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822860321 606707665 /nfs/dbraw/zinc/70/76/65/606707665.db2.gz RGNPENRLUHUJLT-SNVBAGLBSA-N 0 1 375.393 0.169 20 5 GCBDMN NC(=O)[C@@H]1CCC[N@H+](CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822860321 606707666 /nfs/dbraw/zinc/70/76/66/606707666.db2.gz RGNPENRLUHUJLT-SNVBAGLBSA-N 0 1 375.393 0.169 20 5 GCBDMN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822860321 606707667 /nfs/dbraw/zinc/70/76/67/606707667.db2.gz RGNPENRLUHUJLT-SNVBAGLBSA-N 0 1 375.393 0.169 20 5 GCBDMN C[C@H](O)C[NH+]1CCC(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820480301 606707988 /nfs/dbraw/zinc/70/79/88/606707988.db2.gz IQPCDKQLPXIIBC-NSHDSACASA-N 0 1 376.421 0.699 20 5 GCBDMN C[C@H](O)C[NH+]1CCC(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820480301 606707990 /nfs/dbraw/zinc/70/79/90/606707990.db2.gz IQPCDKQLPXIIBC-NSHDSACASA-N 0 1 376.421 0.699 20 5 GCBDMN Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000822604539 606711224 /nfs/dbraw/zinc/71/12/24/606711224.db2.gz HALYUELHPZENOX-QMMMGPOBSA-N 0 1 388.417 0.917 20 5 GCBDMN Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000822604539 606711226 /nfs/dbraw/zinc/71/12/26/606711226.db2.gz HALYUELHPZENOX-QMMMGPOBSA-N 0 1 388.417 0.917 20 5 GCBDMN CC(C)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000820092695 606730594 /nfs/dbraw/zinc/73/05/94/606730594.db2.gz NWJBNWIEKUVMQW-UHFFFAOYSA-N 0 1 395.445 0.737 20 5 GCBDMN CC(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000819804009 606731643 /nfs/dbraw/zinc/73/16/43/606731643.db2.gz SCJSGOFPBAKJLC-UHFFFAOYSA-N 0 1 395.401 0.064 20 5 GCBDMN COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821639483 606733047 /nfs/dbraw/zinc/73/30/47/606733047.db2.gz ZULVLDCGRGECQA-QMMMGPOBSA-N 0 1 384.374 0.205 20 5 GCBDMN COC(=O)CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821660400 606733090 /nfs/dbraw/zinc/73/30/90/606733090.db2.gz PRDGPYWTYCJZCP-UHFFFAOYSA-N 0 1 384.374 0.349 20 5 GCBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820750939 606734433 /nfs/dbraw/zinc/73/44/33/606734433.db2.gz DOHGJNSWTFHZRM-MNOVXSKESA-N 0 1 395.445 0.736 20 5 GCBDMN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820750939 606734436 /nfs/dbraw/zinc/73/44/36/606734436.db2.gz DOHGJNSWTFHZRM-MNOVXSKESA-N 0 1 395.445 0.736 20 5 GCBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820750939 606734437 /nfs/dbraw/zinc/73/44/37/606734437.db2.gz DOHGJNSWTFHZRM-MNOVXSKESA-N 0 1 395.445 0.736 20 5 GCBDMN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820142133 606735263 /nfs/dbraw/zinc/73/52/63/606735263.db2.gz HFKWBDFEKWPIDA-VIFPVBQESA-N 0 1 398.401 0.736 20 5 GCBDMN CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@H](C)C1 ZINC000819796563 606872524 /nfs/dbraw/zinc/87/25/24/606872524.db2.gz LQJLPYKQNLCTAG-SECBINFHSA-N 0 1 395.401 0.016 20 5 GCBDMN CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000819796564 606872704 /nfs/dbraw/zinc/87/27/04/606872704.db2.gz LQJLPYKQNLCTAG-VIFPVBQESA-N 0 1 395.401 0.016 20 5 GCBDMN CN(CCCn1ccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821601725 607140529 /nfs/dbraw/zinc/14/05/29/607140529.db2.gz WUSLVKMIANSZMK-UHFFFAOYSA-N 0 1 392.401 0.682 20 5 GCBDMN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826067178 607907603 /nfs/dbraw/zinc/90/76/03/607907603.db2.gz DKUGTXCGYVIMRH-VIFPVBQESA-N 0 1 397.417 0.214 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)c1-c1nn[nH]n1 ZINC000826499843 608026819 /nfs/dbraw/zinc/02/68/19/608026819.db2.gz AEMHUZGOXDDODO-NSHDSACASA-N 0 1 380.386 0.574 20 5 GCBDMN CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825486202 608127442 /nfs/dbraw/zinc/12/74/42/608127442.db2.gz OAXNRXFDIINLDL-DTWKUNHWSA-N 0 1 398.401 0.641 20 5 GCBDMN C[C@H]1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824886282 608155441 /nfs/dbraw/zinc/15/54/41/608155441.db2.gz WSBLKLMYGCINBB-UWVGGRQHSA-N 0 1 382.402 0.868 20 5 GCBDMN C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1C ZINC000824857111 608156710 /nfs/dbraw/zinc/15/67/10/608156710.db2.gz AZYJCZYISVBZHK-NXEZZACHSA-N 0 1 381.418 0.488 20 5 GCBDMN CCN1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1C ZINC000825453241 608238160 /nfs/dbraw/zinc/23/81/60/608238160.db2.gz UQOQEYCBULIOGH-QWRGUYRKSA-N 0 1 395.445 0.878 20 5 GCBDMN CCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000825242283 608306488 /nfs/dbraw/zinc/30/64/88/608306488.db2.gz NFCXLHGNLYMYHX-QMMMGPOBSA-N 0 1 384.374 0.395 20 5 GCBDMN CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826146441 608425179 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ZINC000539310181 530251721 /nfs/dbraw/zinc/25/17/21/530251721.db2.gz MCQIJTFIWJYZTL-NSHDSACASA-N 0 1 379.460 0.286 20 5 GCBDMN CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])O1 ZINC000539221512 530250680 /nfs/dbraw/zinc/25/06/80/530250680.db2.gz FAJLPBJJHWFRDI-BXKDBHETSA-N 0 1 375.378 0.648 20 5 GCBDMN CN(C)CCNS(=O)(=O)c1ccc(N[C@H]2CC[S@@](=O)C2)c([N+](=O)[O-])c1 ZINC000433438846 530212829 /nfs/dbraw/zinc/21/28/29/530212829.db2.gz FBSLCGVUETYDDV-APXPCNQMSA-N 0 1 390.487 0.368 20 5 GCBDMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000477141519 530216683 /nfs/dbraw/zinc/21/66/83/530216683.db2.gz GGIHNZHOYMNOCG-QWRGUYRKSA-N 0 1 395.434 0.873 20 5 GCBDMN COC(=O)COc1ccc(CNCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000562079032 530261236 /nfs/dbraw/zinc/26/12/36/530261236.db2.gz ARLOSEUNXYWDDG-UHFFFAOYSA-N 0 1 375.403 0.128 20 5 GCBDMN O=[N+]([O-])c1ccc(O)cc1CS(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000593204710 530420538 /nfs/dbraw/zinc/42/05/38/530420538.db2.gz AIJQHQCBRHKOIH-UHFFFAOYSA-N 0 1 381.292 0.964 20 5 GCBDMN CCN(CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000184338494 530499233 /nfs/dbraw/zinc/49/92/33/530499233.db2.gz TZOONYMJUMNGRV-UHFFFAOYSA-N 0 1 396.263 0.950 20 5 GCBDMN CNS(=O)(=O)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000439086287 530574288 /nfs/dbraw/zinc/57/42/88/530574288.db2.gz AUTOEJWHDIEINS-UHFFFAOYSA-N 0 1 392.242 0.729 20 5 GCBDMN COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000485924145 530744948 /nfs/dbraw/zinc/74/49/48/530744948.db2.gz JPNCLGRBTJDRCU-WCQYABFASA-N 0 1 378.378 0.833 20 5 GCBDMN COCCO[C@H]1COCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000485924147 530745013 /nfs/dbraw/zinc/74/50/13/530745013.db2.gz JPNCLGRBTJDRCU-YPMHNXCESA-N 0 1 378.378 0.833 20 5 GCBDMN CC(C)OC[C@H](O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420974536 530874815 /nfs/dbraw/zinc/87/48/15/530874815.db2.gz OSVMXBRUVZZSGJ-CQSZACIVSA-N 0 1 375.447 0.591 20 5 GCBDMN CCn1cc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000533174091 530901094 /nfs/dbraw/zinc/90/10/94/530901094.db2.gz IRFMJNZSUFOGIU-LBPRGKRZSA-N 0 1 375.451 0.326 20 5 GCBDMN CCn1cc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000533174091 530901096 /nfs/dbraw/zinc/90/10/96/530901096.db2.gz IRFMJNZSUFOGIU-LBPRGKRZSA-N 0 1 375.451 0.326 20 5 GCBDMN CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443294472 530895791 /nfs/dbraw/zinc/89/57/91/530895791.db2.gz ZZORZNFRODRFBO-UHFFFAOYSA-N 0 1 395.865 0.809 20 5 GCBDMN CN(C)CCN(CCOCCO)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443305825 530896672 /nfs/dbraw/zinc/89/66/72/530896672.db2.gz WTHCAMDQSUHNDJ-UHFFFAOYSA-N 0 1 379.410 0.295 20 5 GCBDMN CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330489479 530916917 /nfs/dbraw/zinc/91/69/17/530916917.db2.gz BOWLPAJOACHTKY-UHFFFAOYSA-N 0 1 390.849 0.643 20 5 GCBDMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000821531317 598064336 /nfs/dbraw/zinc/06/43/36/598064336.db2.gz LGBWFBHORQFPCK-JTQLQIEISA-N 0 1 391.336 0.283 20 5 GCBDMN CCc1[nH]nc(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1[N+](=O)[O-] ZINC000736668497 598600657 /nfs/dbraw/zinc/60/06/57/598600657.db2.gz YYMJYRNKRMDWMY-UHFFFAOYSA-N 0 1 398.387 0.418 20 5 GCBDMN CCOCC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830012256 600812493 /nfs/dbraw/zinc/81/24/93/600812493.db2.gz XSXCFLOEPSRPQO-CYBMUJFWSA-N 0 1 394.428 0.956 20 5 GCBDMN CC[C@@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000829163342 600812572 /nfs/dbraw/zinc/81/25/72/600812572.db2.gz XEZCHZWXKVBSQF-CQSZACIVSA-N 0 1 394.428 0.956 20 5 GCBDMN COCC[N@@H+]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000831745411 600813535 /nfs/dbraw/zinc/81/35/35/600813535.db2.gz PSQUVFGVFOVHCY-QWHCGFSZSA-N 0 1 394.428 0.955 20 5 GCBDMN COCC[N@H+]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000831745411 600813537 /nfs/dbraw/zinc/81/35/37/600813537.db2.gz PSQUVFGVFOVHCY-QWHCGFSZSA-N 0 1 394.428 0.955 20 5 GCBDMN CC(C)OCC[NH+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827031053 600985988 /nfs/dbraw/zinc/98/59/88/600985988.db2.gz RWOFUHHNFQPXIL-UHFFFAOYSA-N 0 1 394.428 0.956 20 5 GCBDMN CC(C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824309619 607579743 /nfs/dbraw/zinc/57/97/43/607579743.db2.gz RXYHKOYGTPTQCS-UHFFFAOYSA-N 0 1 384.374 0.395 20 5 GCBDMN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826061016 607585149 /nfs/dbraw/zinc/58/51/49/607585149.db2.gz YJNAIVSEZVAKCX-SNVBAGLBSA-N 0 1 395.401 0.064 20 5 GCBDMN CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825406354 607587090 /nfs/dbraw/zinc/58/70/90/607587090.db2.gz LMCLXPXSLQWTDW-SNVBAGLBSA-N 0 1 383.434 0.784 20 5 GCBDMN C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824947994 607588822 /nfs/dbraw/zinc/58/88/22/607588822.db2.gz SFEJTNDDOFEGAK-NSHDSACASA-N 0 1 395.445 0.785 20 5 GCBDMN CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825512091 607597655 /nfs/dbraw/zinc/59/76/55/607597655.db2.gz SSWMFNBABNNUAJ-UHFFFAOYSA-N 0 1 396.385 0.491 20 5 GCBDMN Cc1noc(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826339197 607597955 /nfs/dbraw/zinc/59/79/55/607597955.db2.gz VMYRORCDURGGGN-UHFFFAOYSA-N 0 1 379.358 0.858 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826499992 607613980 /nfs/dbraw/zinc/61/39/80/607613980.db2.gz HLHUGAGMIDWJLG-JTQLQIEISA-N 0 1 379.402 0.244 20 5 GCBDMN CC(C)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O ZINC000824295928 607615807 /nfs/dbraw/zinc/61/58/07/607615807.db2.gz BTZRITDCCPJUMF-VIFPVBQESA-N 0 1 395.401 0.063 20 5 GCBDMN CC(C)(C)OC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824099896 607616226 /nfs/dbraw/zinc/61/62/26/607616226.db2.gz LQTZTGORRXDFHB-UHFFFAOYSA-N 0 1 384.374 0.395 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1-c1nn[nH]n1 ZINC000826500052 607629118 /nfs/dbraw/zinc/62/91/18/607629118.db2.gz JLYAYGJPONRARQ-UHFFFAOYSA-N 0 1 382.402 0.748 20 5 GCBDMN CC(C)(C)C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824085521 607637500 /nfs/dbraw/zinc/63/75/00/607637500.db2.gz FLNCXISFGLVNIW-VIFPVBQESA-N 0 1 384.418 0.850 20 5 GCBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824978647 607653656 /nfs/dbraw/zinc/65/36/56/607653656.db2.gz WYFIFWOYWFWNSO-GHMZBOCLSA-N 0 1 395.445 0.782 20 5 GCBDMN CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824978647 607653661 /nfs/dbraw/zinc/65/36/61/607653661.db2.gz WYFIFWOYWFWNSO-GHMZBOCLSA-N 0 1 395.445 0.782 20 5 GCBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824978647 607653662 /nfs/dbraw/zinc/65/36/62/607653662.db2.gz WYFIFWOYWFWNSO-GHMZBOCLSA-N 0 1 395.445 0.782 20 5 GCBDMN CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825089311 607657252 /nfs/dbraw/zinc/65/72/52/607657252.db2.gz CJIQKXZIDAARPN-ZJUUUORDSA-N 0 1 384.418 0.850 20 5 GCBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCOCC1 ZINC000824640427 607673422 /nfs/dbraw/zinc/67/34/22/607673422.db2.gz IMBNXNVSBMQYPU-VIFPVBQESA-N 0 1 382.402 0.868 20 5 GCBDMN COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833724080 605395977 /nfs/dbraw/zinc/39/59/77/605395977.db2.gz FZEKXMIGMXTCRA-LBPRGKRZSA-N 0 1 387.414 0.682 20 5 GCBDMN COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833724080 605395983 /nfs/dbraw/zinc/39/59/83/605395983.db2.gz FZEKXMIGMXTCRA-LBPRGKRZSA-N 0 1 387.414 0.682 20 5 GCBDMN COCCN(CC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821689004 606732992 /nfs/dbraw/zinc/73/29/92/606732992.db2.gz HMGRHOLASHGYHR-UHFFFAOYSA-N 0 1 392.344 0.677 20 5 GCBDMN CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCO1 ZINC000820607744 606734425 /nfs/dbraw/zinc/73/44/25/606734425.db2.gz YUCZUDWIRQKZKH-UHFFFAOYSA-N 0 1 382.402 0.965 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1-c1nn[nH]n1 ZINC000823646949 606737269 /nfs/dbraw/zinc/73/72/69/606737269.db2.gz DQNBFOFPCMORNC-AWEZNQCLSA-N 0 1 380.386 0.576 20 5 GCBDMN C[C@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOC1(C)C ZINC000820819098 606873160 /nfs/dbraw/zinc/87/31/60/606873160.db2.gz DYWFWNWSGDXFQN-SECBINFHSA-N 0 1 382.402 0.963 20 5 GCBDMN Cc1cnccc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826319438 607852971 /nfs/dbraw/zinc/85/29/71/607852971.db2.gz CPUZUCUDMDHDPC-UHFFFAOYSA-N 0 1 389.397 0.999 20 5 GCBDMN O=[N+]([O-])c1ccc2nc(N3CCN(CCCO)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000826499816 607966059 /nfs/dbraw/zinc/96/60/59/607966059.db2.gz YTVUWGTWRYKEQB-UHFFFAOYSA-N 0 1 384.400 0.828 20 5 GCBDMN C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(F)(F)F 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QUJLQOBGUSNIDK-UHFFFAOYSA-N 0 1 378.429 0.548 20 5 GCBDMN COC(=O)[C@H]1CN(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411905906 1187531847 /nfs/dbraw/zinc/53/18/47/1187531847.db2.gz BUMVSDQHMYAPDS-LBPRGKRZSA-N 0 1 380.401 0.579 20 5 GCBDMN C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000582927860 1187825944 /nfs/dbraw/zinc/82/59/44/1187825944.db2.gz ABZUILZGWKAWHL-GFCCVEGCSA-N 0 1 397.863 0.730 20 5 GCBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000181042801 1187906264 /nfs/dbraw/zinc/90/62/64/1187906264.db2.gz MJYIZYWNWJWKKI-ZDUSSCGKSA-N 0 1 377.445 0.902 20 5 GCBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000472634517 1187969194 /nfs/dbraw/zinc/96/91/94/1187969194.db2.gz HABNOZDKCQDNJO-GFCCVEGCSA-N 0 1 380.376 0.853 20 5 GCBDMN CCCc1[nH]nc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] ZINC000377965237 1189393325 /nfs/dbraw/zinc/39/33/25/1189393325.db2.gz VUOYUWOWLLDZOD-MRXNPFEDSA-N 0 1 378.389 0.721 20 5 GCBDMN 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1193844956 /nfs/dbraw/zinc/84/49/56/1193844956.db2.gz DQMWFISNPCPZFP-CQSZACIVSA-N 0 1 378.385 0.677 20 5 GCBDMN COC(=O)CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419362026 1193865406 /nfs/dbraw/zinc/86/54/06/1193865406.db2.gz UDXGWZGWWWLGBZ-AWEZNQCLSA-N 0 1 378.385 0.677 20 5 GCBDMN Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000473534932 1193970966 /nfs/dbraw/zinc/97/09/66/1193970966.db2.gz ZMVCITXOWCFAQX-UHFFFAOYSA-N 0 1 389.434 0.139 20 5 GCBDMN CCOc1cc(N2CCN(CCC(=O)NCC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000280179315 1193979316 /nfs/dbraw/zinc/97/93/16/1193979316.db2.gz GXZLCOMGSPMGNN-UHFFFAOYSA-N 0 1 394.428 0.795 20 5 GCBDMN CCOc1cc(N2CCN(CCC(=O)NC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000280230006 1193981677 /nfs/dbraw/zinc/98/16/77/1193981677.db2.gz MCZCUHLOVSPBHN-UHFFFAOYSA-N 0 1 379.417 0.961 20 5 GCBDMN COC(=O)[C@@H]1CN(C)CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000413157258 1194085971 /nfs/dbraw/zinc/08/59/71/1194085971.db2.gz PUHQGBBCDPOXCZ-CYBMUJFWSA-N 0 1 380.401 0.850 20 5 GCBDMN CO[C@@H]1COC[C@@H]1Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000413465358 1194267426 /nfs/dbraw/zinc/26/74/26/1194267426.db2.gz ZBZICXTXQRQOBG-DZGCQCFKSA-N 0 1 388.446 0.260 20 5 GCBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000413893801 1194357017 /nfs/dbraw/zinc/35/70/17/1194357017.db2.gz BMAAAILVPHCTBU-CHWSQXEVSA-N 0 1 396.448 0.390 20 5 GCBDMN CN1CCN(C)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000272065487 1194433724 /nfs/dbraw/zinc/43/37/24/1194433724.db2.gz XMJJHAXLGBAGGF-CQSZACIVSA-N 0 1 377.445 0.407 20 5 GCBDMN O=C(N[C@H]1CCCc2cn[nH]c21)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422324154 1194614267 /nfs/dbraw/zinc/61/42/67/1194614267.db2.gz VXOIWDDSQNTOPB-ZDUSSCGKSA-N 0 1 399.411 0.555 20 5 GCBDMN Cn1cnc([N+](=O)[O-])c1CN1Cc2n[nH]c(=O)n2C[C@H]1C(=O)OC(C)(C)C ZINC000424357247 1194808974 /nfs/dbraw/zinc/80/89/74/1194808974.db2.gz SOZSHHHVTYQISZ-JTQLQIEISA-N 0 1 379.377 0.352 20 5 GCBDMN CC(C)c1[nH]nc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] ZINC000434239800 1194838004 /nfs/dbraw/zinc/83/80/04/1194838004.db2.gz MXDFCQVWJPQHLU-INIZCTEOSA-N 0 1 378.389 0.892 20 5 GCBDMN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425216389 1194873567 /nfs/dbraw/zinc/87/35/67/1194873567.db2.gz QUPSEWZAZAXKQC-SECBINFHSA-N 0 1 381.370 0.678 20 5 GCBDMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000435697414 1194956416 /nfs/dbraw/zinc/95/64/16/1194956416.db2.gz NJIQXTVNGIURJN-HUUCEWRRSA-N 0 1 380.401 0.375 20 5 GCBDMN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000505828823 1195011062 /nfs/dbraw/zinc/01/10/62/1195011062.db2.gz YGDFHKIUYZGNSJ-UONOGXRCSA-N 0 1 399.425 0.695 20 5 GCBDMN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000505828823 1195011064 /nfs/dbraw/zinc/01/10/64/1195011064.db2.gz YGDFHKIUYZGNSJ-UONOGXRCSA-N 0 1 399.425 0.695 20 5 GCBDMN C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cn2)CC1 ZINC000436776165 1195035010 /nfs/dbraw/zinc/03/50/10/1195035010.db2.gz ZTAWWMUQCSXRFI-UHFFFAOYSA-N 0 1 388.384 0.523 20 5 GCBDMN C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn2)CC1 ZINC000436959082 1195051106 /nfs/dbraw/zinc/05/11/06/1195051106.db2.gz FGUKJVNXLOHHDM-UHFFFAOYSA-N 0 1 388.384 0.523 20 5 GCBDMN CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000516986678 1195121049 /nfs/dbraw/zinc/12/10/49/1195121049.db2.gz MNMKKNGEYIWTIX-JTQLQIEISA-N 0 1 375.389 0.645 20 5 GCBDMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cn1C ZINC000438725515 1195243192 /nfs/dbraw/zinc/24/31/92/1195243192.db2.gz SKDFJVGGTBHHAK-UHFFFAOYSA-N 0 1 396.381 0.880 20 5 GCBDMN NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000550153408 1195449482 /nfs/dbraw/zinc/44/94/82/1195449482.db2.gz HDXHKQRJVMNSNM-UHFFFAOYSA-N 0 1 382.442 0.943 20 5 GCBDMN 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ZINC000539221515 530250887 /nfs/dbraw/zinc/25/08/87/530250887.db2.gz FAJLPBJJHWFRDI-SKDRFNHKSA-N 0 1 375.378 0.648 20 5 GCBDMN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1)N1CCNCC1 ZINC000440342632 530686973 /nfs/dbraw/zinc/68/69/73/530686973.db2.gz RXQBCQRBXJCLJK-LLVKDONJSA-N 0 1 388.471 0.489 20 5 GCBDMN CS(=O)(=O)NC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591766190 530730053 /nfs/dbraw/zinc/73/00/53/530730053.db2.gz NJGJIFCULWUGDC-UHFFFAOYSA-N 0 1 377.444 0.038 20 5 GCBDMN Cc1nc(NS(=O)(=O)CCCCS(=O)(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000349565041 530809129 /nfs/dbraw/zinc/80/91/29/530809129.db2.gz KVDDCHHCMXSRBO-UHFFFAOYSA-N 0 1 380.448 0.712 20 5 GCBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000593652981 530823982 /nfs/dbraw/zinc/82/39/82/530823982.db2.gz UOXSVZILZDPOEF-UHFFFAOYSA-N 0 1 386.821 0.873 20 5 GCBDMN CN(C)CCNS(=O)(=O)c1ccc(NCC(F)(F)CO)c([N+](=O)[O-])c1 ZINC000274283547 530905024 /nfs/dbraw/zinc/90/50/24/530905024.db2.gz WPXNSFZGKZOJEK-UHFFFAOYSA-N 0 1 382.389 0.474 20 5 GCBDMN CCn1cc(S(=O)(=O)[N-][C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594802945 530883345 /nfs/dbraw/zinc/88/33/45/530883345.db2.gz FJIZWTPUMMZPMG-LBPRGKRZSA-N 0 1 376.483 0.362 20 5 GCBDMN Cc1cc(S(=O)(=O)N(CCOCCO)CCN(C)C)ccc1[N+](=O)[O-] ZINC000443280043 530895329 /nfs/dbraw/zinc/89/53/29/530895329.db2.gz AISYULIFNRQPPQ-UHFFFAOYSA-N 0 1 375.447 0.464 20 5 GCBDMN CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443305419 530896582 /nfs/dbraw/zinc/89/65/82/530896582.db2.gz GHFOARWSWBJWQB-UHFFFAOYSA-N 0 1 379.410 0.295 20 5 GCBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000271762494 530929823 /nfs/dbraw/zinc/92/98/23/530929823.db2.gz ZYDVUOZTLQSGPS-NSHDSACASA-N 0 1 377.444 0.040 20 5 GCBDMN Cc1sc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000556778403 530936980 /nfs/dbraw/zinc/93/69/80/530936980.db2.gz AVBCTQVHDXWOIH-SKDRFNHKSA-N 0 1 375.428 0.887 20 5 GCBDMN Cc1sc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000556778403 530936982 /nfs/dbraw/zinc/93/69/82/530936982.db2.gz AVBCTQVHDXWOIH-SKDRFNHKSA-N 0 1 375.428 0.887 20 5 GCBDMN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000461114917 530990148 /nfs/dbraw/zinc/99/01/48/530990148.db2.gz UNLFCZDVHUEPLR-UHFFFAOYSA-N 0 1 386.411 0.463 20 5 GCBDMN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000737594081 599267107 /nfs/dbraw/zinc/26/71/07/599267107.db2.gz VZOSYBPULFBWBK-QMMMGPOBSA-N 0 1 388.417 0.917 20 5 GCBDMN COc1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000737158210 598797414 /nfs/dbraw/zinc/79/74/14/598797414.db2.gz AHOXZJRGAKZVRI-UHFFFAOYSA-N 0 1 383.372 0.900 20 5 GCBDMN C[NH+](C)CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000737370413 600181842 /nfs/dbraw/zinc/18/18/42/600181842.db2.gz QIAVUWUGVWHLTN-CYBMUJFWSA-N 0 1 399.425 0.484 20 5 GCBDMN C[C@H](NC(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655148 600560325 /nfs/dbraw/zinc/56/03/25/600560325.db2.gz CDWQPHKAPLXRET-LBPRGKRZSA-N 0 1 380.401 0.302 20 5 GCBDMN CN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000737400840 600717791 /nfs/dbraw/zinc/71/77/91/600717791.db2.gz DPUWUYATKLOTFK-UHFFFAOYSA-N 0 1 378.385 0.286 20 5 GCBDMN COCC[N@@H+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000831744571 600812795 /nfs/dbraw/zinc/81/27/95/600812795.db2.gz LIMLOIBJFGEPEN-GFCCVEGCSA-N 0 1 380.401 0.566 20 5 GCBDMN COCC[N@H+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000831744571 600812797 /nfs/dbraw/zinc/81/27/97/600812797.db2.gz LIMLOIBJFGEPEN-GFCCVEGCSA-N 0 1 380.401 0.566 20 5 GCBDMN C[C@@H](O)C[N@H+]1CCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000827802239 600812823 /nfs/dbraw/zinc/81/28/23/600812823.db2.gz FDICLYUJVPDAPI-NWDGAFQWSA-N 0 1 380.401 0.301 20 5 GCBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000600869504 601086255 /nfs/dbraw/zinc/08/62/55/601086255.db2.gz MOPTZBGVNDBNFH-NSHDSACASA-N 0 1 379.369 0.987 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccccn2)c1-c1nn[nH]n1 ZINC000826500487 607575011 /nfs/dbraw/zinc/57/50/11/607575011.db2.gz ZTYGLLYVLCXDLQ-UHFFFAOYSA-N 0 1 375.370 0.691 20 5 GCBDMN COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826133017 607581616 /nfs/dbraw/zinc/58/16/16/607581616.db2.gz IIPCKJVXRBIYOR-SECBINFHSA-N 0 1 382.358 0.101 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cccnc2)c1-c1nn[nH]n1 ZINC000826499970 607582839 /nfs/dbraw/zinc/58/28/39/607582839.db2.gz GRPSFPHQISLNFF-UHFFFAOYSA-N 0 1 375.370 0.691 20 5 GCBDMN C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824414244 607593578 /nfs/dbraw/zinc/59/35/78/607593578.db2.gz XYDZGVVJGOSWQY-SECBINFHSA-N 0 1 395.401 0.064 20 5 GCBDMN NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCCC1 ZINC000826389923 607599455 /nfs/dbraw/zinc/59/94/55/607599455.db2.gz LNWXFGLLNCXYCI-UHFFFAOYSA-N 0 1 395.401 0.241 20 5 GCBDMN COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821665980 607604338 /nfs/dbraw/zinc/60/43/38/607604338.db2.gz OXNXQTAPMMMONO-VIFPVBQESA-N 0 1 396.385 0.349 20 5 GCBDMN O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)OCC1CC1 ZINC000826413284 607605082 /nfs/dbraw/zinc/60/50/82/607605082.db2.gz YXCAZCWJGCGDBT-UHFFFAOYSA-N 0 1 382.358 0.006 20 5 GCBDMN CCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825282464 607612793 /nfs/dbraw/zinc/61/27/93/607612793.db2.gz SRUYPPDAFLIHEH-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN CCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825282464 607612799 /nfs/dbraw/zinc/61/27/99/607612799.db2.gz SRUYPPDAFLIHEH-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN CCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825282464 607612801 /nfs/dbraw/zinc/61/28/01/607612801.db2.gz SRUYPPDAFLIHEH-UHFFFAOYSA-N 0 1 383.434 0.785 20 5 GCBDMN C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825855036 607613683 /nfs/dbraw/zinc/61/36/83/607613683.db2.gz GFRAJIRELUIQHX-SNVBAGLBSA-N 0 1 381.418 0.490 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826499993 607614298 /nfs/dbraw/zinc/61/42/98/607614298.db2.gz HLHUGAGMIDWJLG-SNVBAGLBSA-N 0 1 379.402 0.244 20 5 GCBDMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999191 607614685 /nfs/dbraw/zinc/61/46/85/607614685.db2.gz DLEXJPUMIQGEIJ-MNOVXSKESA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999191 607614691 /nfs/dbraw/zinc/61/46/91/607614691.db2.gz DLEXJPUMIQGEIJ-MNOVXSKESA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999191 607614693 /nfs/dbraw/zinc/61/46/93/607614693.db2.gz DLEXJPUMIQGEIJ-MNOVXSKESA-N 0 1 393.429 0.632 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)c1-c1nn[nH]n1 ZINC000826500161 607623053 /nfs/dbraw/zinc/62/30/53/607623053.db2.gz NJIHFDNKAALHNA-GFCCVEGCSA-N 0 1 390.381 0.787 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)c1-c1nn[nH]n1 ZINC000826499987 607643607 /nfs/dbraw/zinc/64/36/07/607643607.db2.gz HJFSYJJIKCDFEV-GXSJLCMTSA-N 0 1 382.402 0.604 20 5 GCBDMN CCc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)on1 ZINC000825700850 607643917 /nfs/dbraw/zinc/64/39/17/607643917.db2.gz WGCJERGQEVXPQV-UHFFFAOYSA-N 0 1 379.358 0.804 20 5 GCBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1cnn(C)c1 ZINC000824640314 607645014 /nfs/dbraw/zinc/64/50/14/607645014.db2.gz GGYKWZHPTYOVCQ-MRVPVSSYSA-N 0 1 378.374 0.548 20 5 GCBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1cnn(C)c1 ZINC000824640315 607645047 /nfs/dbraw/zinc/64/50/47/607645047.db2.gz GGYKWZHPTYOVCQ-QMMMGPOBSA-N 0 1 378.374 0.548 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)c1-c1nn[nH]n1 ZINC000826500484 607646238 /nfs/dbraw/zinc/64/62/38/607646238.db2.gz ZSGUMVNSJRRMNZ-UWVGGRQHSA-N 0 1 382.402 0.604 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)c1-c1nn[nH]n1 ZINC000826500483 607646595 /nfs/dbraw/zinc/64/65/95/607646595.db2.gz ZSGUMVNSJRRMNZ-NXEZZACHSA-N 0 1 382.402 0.604 20 5 GCBDMN C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC[N@H+]1C ZINC000824893076 607647093 /nfs/dbraw/zinc/64/70/93/607647093.db2.gz OZTSMOPLEIZHAO-VHSXEESVSA-N 0 1 381.418 0.536 20 5 GCBDMN C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825854474 607662587 /nfs/dbraw/zinc/66/25/87/607662587.db2.gz BNTIPVVLSJSXHH-WDEREUQCSA-N 0 1 395.445 0.926 20 5 GCBDMN NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826390034 607663348 /nfs/dbraw/zinc/66/33/48/607663348.db2.gz OJGZZIIWDVKAGP-IUCAKERBSA-N 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/nfs/dbraw/zinc/96/88/76/599968876.db2.gz YRRYEUCDEDGDSE-DGCLKSJQSA-N 0 1 380.401 0.930 20 5 GCBDMN CC[N@H+]1CCO[C@H](CNc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737123630 599968879 /nfs/dbraw/zinc/96/88/79/599968879.db2.gz YRRYEUCDEDGDSE-DGCLKSJQSA-N 0 1 380.401 0.930 20 5 GCBDMN C[C@@H](O)C[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736675038 600209888 /nfs/dbraw/zinc/20/98/88/600209888.db2.gz AYHDAMLFDWJLLW-VXGBXAGGSA-N 0 1 380.401 0.301 20 5 GCBDMN C[C@@H](NC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827804276 600812616 /nfs/dbraw/zinc/81/26/16/600812616.db2.gz UXPCPDGDPZUODY-RWMBFGLXSA-N 0 1 394.428 0.689 20 5 GCBDMN CC[C@H]1CN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000829160288 600812676 /nfs/dbraw/zinc/81/26/76/600812676.db2.gz HGOKKYHDDWNEDZ-JSGCOSHPSA-N 0 1 394.428 0.691 20 5 GCBDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000600869503 601085845 /nfs/dbraw/zinc/08/58/45/601085845.db2.gz MOPTZBGVNDBNFH-LLVKDONJSA-N 0 1 379.369 0.987 20 5 GCBDMN COCCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826160738 607580174 /nfs/dbraw/zinc/58/01/74/607580174.db2.gz DGCUQMPQTKDKPT-UHFFFAOYSA-N 0 1 386.390 0.106 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1-c1nn[n-]n1 ZINC000826499941 607581730 /nfs/dbraw/zinc/58/17/30/607581730.db2.gz FMVJOBWHIRMURL-UHFFFAOYSA-N 0 1 395.445 0.929 20 5 GCBDMN C[NH+](C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000825855834 607586996 /nfs/dbraw/zinc/58/69/96/607586996.db2.gz JVGXLUPROSAYSY-UHFFFAOYSA-N 0 1 381.418 0.490 20 5 GCBDMN CN(Cc1nccn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825998748 607587218 /nfs/dbraw/zinc/58/72/18/607587218.db2.gz BIYMEBOABKJAJK-UHFFFAOYSA-N 0 1 378.374 0.329 20 5 GCBDMN CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825512132 607594118 /nfs/dbraw/zinc/59/41/18/607594118.db2.gz VCSMYPOFPZDNHA-UHFFFAOYSA-N 0 1 398.401 0.737 20 5 GCBDMN CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826022970 607608528 /nfs/dbraw/zinc/60/85/28/607608528.db2.gz UNJQYGLNOZZULM-JTQLQIEISA-N 0 1 381.418 0.347 20 5 GCBDMN CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826022970 607608534 /nfs/dbraw/zinc/60/85/34/607608534.db2.gz UNJQYGLNOZZULM-JTQLQIEISA-N 0 1 381.418 0.347 20 5 GCBDMN CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826022970 607608536 /nfs/dbraw/zinc/60/85/36/607608536.db2.gz UNJQYGLNOZZULM-JTQLQIEISA-N 0 1 381.418 0.347 20 5 GCBDMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999190 607614584 /nfs/dbraw/zinc/61/45/84/607614584.db2.gz DLEXJPUMIQGEIJ-GHMZBOCLSA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999190 607614589 /nfs/dbraw/zinc/61/45/89/607614589.db2.gz DLEXJPUMIQGEIJ-GHMZBOCLSA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999190 607614591 /nfs/dbraw/zinc/61/45/91/607614591.db2.gz DLEXJPUMIQGEIJ-GHMZBOCLSA-N 0 1 393.429 0.632 20 5 GCBDMN NC(=O)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 ZINC000826390166 607617109 /nfs/dbraw/zinc/61/71/09/607617109.db2.gz RKNZMMUAZHIDKY-UHFFFAOYSA-N 0 1 395.401 0.099 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2CO)c1-c1nn[nH]n1 ZINC000826500020 607628895 /nfs/dbraw/zinc/62/88/95/607628895.db2.gz IIUSEBRGDQGIOE-UHFFFAOYSA-N 0 1 390.381 0.746 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](CCO)C2)c1-c1nn[nH]n1 ZINC000826500195 607632964 /nfs/dbraw/zinc/63/29/64/607632964.db2.gz OBMNSPSMNMEUNC-SNVBAGLBSA-N 0 1 382.402 0.558 20 5 GCBDMN CSC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826226616 607639431 /nfs/dbraw/zinc/63/94/31/607639431.db2.gz CUGJRJGIDTYBOZ-GFCCVEGCSA-N 0 1 388.431 0.167 20 5 GCBDMN CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H]2CCO[C@H]21 ZINC000824790085 607643096 /nfs/dbraw/zinc/64/30/96/607643096.db2.gz KIEPVGSDWNEYGX-ZEGGKSINSA-N 0 1 394.413 0.867 20 5 GCBDMN COCCOC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826160796 607649004 /nfs/dbraw/zinc/64/90/04/607649004.db2.gz GZFQIGFMILJJMV-SECBINFHSA-N 0 1 386.390 0.105 20 5 GCBDMN CC[C@H](C[C@@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825089308 607657283 /nfs/dbraw/zinc/65/72/83/607657283.db2.gz CJIQKXZIDAARPN-NXEZZACHSA-N 0 1 384.418 0.850 20 5 GCBDMN C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824957638 607657286 /nfs/dbraw/zinc/65/72/86/607657286.db2.gz YHYZTZWQJMPMMI-JTQLQIEISA-N 0 1 381.418 0.395 20 5 GCBDMN C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000824957639 607657572 /nfs/dbraw/zinc/65/75/72/607657572.db2.gz YHYZTZWQJMPMMI-SNVBAGLBSA-N 0 1 381.418 0.395 20 5 GCBDMN C[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC[C@H]1O ZINC000824823722 607659963 /nfs/dbraw/zinc/65/99/63/607659963.db2.gz OENXXYDGXZNHIS-DOMZBBRYSA-N 0 1 396.429 0.994 20 5 GCBDMN C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825854472 607662304 /nfs/dbraw/zinc/66/23/04/607662304.db2.gz BNTIPVVLSJSXHH-QWRGUYRKSA-N 0 1 395.445 0.926 20 5 GCBDMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000833706477 605393575 /nfs/dbraw/zinc/39/35/75/605393575.db2.gz HGWNRJNYDCDGBP-MBNYWOFBSA-N 0 1 382.369 0.673 20 5 GCBDMN CC(=O)N1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000819797149 606730893 /nfs/dbraw/zinc/73/08/93/606730893.db2.gz SZZLYCRMCLSHHD-UHFFFAOYSA-N 0 1 395.401 0.018 20 5 GCBDMN COCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821684954 606735035 /nfs/dbraw/zinc/73/50/35/606735035.db2.gz PIQNUUCUMTUINW-UHFFFAOYSA-N 0 1 382.402 0.822 20 5 GCBDMN 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O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(O)cc2)c1-c1nn[nH]n1 ZINC000826500031 607623318 /nfs/dbraw/zinc/62/33/18/607623318.db2.gz IUWICGRAGCMKHZ-UHFFFAOYSA-N 0 1 376.354 0.959 20 5 GCBDMN CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825051587 607635916 /nfs/dbraw/zinc/63/59/16/607635916.db2.gz RUTOCMRYIBUMSP-XPTSAGLGSA-N 0 1 384.418 0.850 20 5 GCBDMN CSC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826228640 607642938 /nfs/dbraw/zinc/64/29/38/607642938.db2.gz VVZKVGQKDUYKAU-QMMMGPOBSA-N 0 1 388.431 0.167 20 5 GCBDMN CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H]2CCO[C@@H]21 ZINC000824790081 607643410 /nfs/dbraw/zinc/64/34/10/607643410.db2.gz KIEPVGSDWNEYGX-CKLFPEKLSA-N 0 1 394.413 0.867 20 5 GCBDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC[N@H+]1C ZINC000824886409 607645140 /nfs/dbraw/zinc/64/51/40/607645140.db2.gz YMMDJWCULYBFGU-WDEREUQCSA-N 0 1 395.445 0.878 20 5 GCBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC[N@H+]1C ZINC000824893074 607647128 /nfs/dbraw/zinc/64/71/28/607647128.db2.gz OZTSMOPLEIZHAO-UWVGGRQHSA-N 0 1 381.418 0.536 20 5 GCBDMN CCC(CC)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000825097324 607654323 /nfs/dbraw/zinc/65/43/23/607654323.db2.gz VGLAHNYKNYCQOL-UHFFFAOYSA-N 0 1 398.401 0.785 20 5 GCBDMN CC[N@@H+]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000825443516 607654489 /nfs/dbraw/zinc/65/44/89/607654489.db2.gz CWOHBCNDESZHCS-UWVGGRQHSA-N 0 1 381.418 0.393 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCO[C@@H]2CCOC2)c1-c1nn[nH]n1 ZINC000826500039 607670299 /nfs/dbraw/zinc/67/02/99/607670299.db2.gz JCGZKQOHNXPALB-SNVBAGLBSA-N 0 1 398.401 0.249 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(F)cn2)c1-c1nn[nH]n1 ZINC000826500167 607674883 /nfs/dbraw/zinc/67/48/83/607674883.db2.gz NKJJOYFOWRURQE-UHFFFAOYSA-N 0 1 379.333 0.788 20 5 GCBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000824640539 607676503 /nfs/dbraw/zinc/67/65/03/607676503.db2.gz KLHUXOMQDAMDCY-QMMMGPOBSA-N 0 1 398.401 0.783 20 5 GCBDMN CCC(=O)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825034907 607673351 /nfs/dbraw/zinc/67/33/51/607673351.db2.gz TXSKBCUILVJMKT-VIFPVBQESA-N 0 1 395.401 0.064 20 5 GCBDMN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000827703333 604637387 /nfs/dbraw/zinc/63/73/87/604637387.db2.gz KOIUNSREMWKNQP-ZETOZRRWSA-N 0 1 380.401 0.929 20 5 GCBDMN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000827703333 604637394 /nfs/dbraw/zinc/63/73/94/604637394.db2.gz KOIUNSREMWKNQP-ZETOZRRWSA-N 0 1 380.401 0.929 20 5 GCBDMN C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821625979 606710158 /nfs/dbraw/zinc/71/01/58/606710158.db2.gz ZRINAYFXIDSTJM-CYBMUJFWSA-N 0 1 387.448 0.776 20 5 GCBDMN C[N@H+]1CCCC[C@@H]1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821625979 606710160 /nfs/dbraw/zinc/71/01/60/606710160.db2.gz ZRINAYFXIDSTJM-CYBMUJFWSA-N 0 1 387.448 0.776 20 5 GCBDMN C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821625979 606710162 /nfs/dbraw/zinc/71/01/62/606710162.db2.gz ZRINAYFXIDSTJM-CYBMUJFWSA-N 0 1 387.448 0.776 20 5 GCBDMN C[N@H+]1CCCC[C@@H]1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821625979 606710164 /nfs/dbraw/zinc/71/01/64/606710164.db2.gz ZRINAYFXIDSTJM-CYBMUJFWSA-N 0 1 387.448 0.776 20 5 GCBDMN COC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821655918 606731312 /nfs/dbraw/zinc/73/13/12/606731312.db2.gz UEXAAWGTUDWDBJ-UHFFFAOYSA-N 0 1 396.385 0.349 20 5 GCBDMN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000819803886 606731891 /nfs/dbraw/zinc/73/18/91/606731891.db2.gz RFZDUGFARONESR-JTQLQIEISA-N 0 1 395.401 0.064 20 5 GCBDMN CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000819927901 606733476 /nfs/dbraw/zinc/73/34/76/606733476.db2.gz ACNTYFVYRGQUNA-UHFFFAOYSA-N 0 1 398.401 0.785 20 5 GCBDMN CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820995733 606734119 /nfs/dbraw/zinc/73/41/19/606734119.db2.gz WRMGNZKACCXANL-VHSXEESVSA-N 0 1 382.402 0.963 20 5 GCBDMN CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820995732 606734172 /nfs/dbraw/zinc/73/41/72/606734172.db2.gz WRMGNZKACCXANL-UWVGGRQHSA-N 0 1 382.402 0.963 20 5 GCBDMN COC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821683430 606734608 /nfs/dbraw/zinc/73/46/08/606734608.db2.gz AKSHSDMXAGDZQP-JTQLQIEISA-N 0 1 382.402 0.822 20 5 GCBDMN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821655283 606736967 /nfs/dbraw/zinc/73/69/67/606736967.db2.gz IQDCOIAIEUVMEB-SNVBAGLBSA-N 0 1 396.385 0.491 20 5 GCBDMN COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821654077 606736992 /nfs/dbraw/zinc/73/69/92/606736992.db2.gz SQIZVJUYOPOUNR-AWEZNQCLSA-N 0 1 396.385 0.349 20 5 GCBDMN CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825908399 607853560 /nfs/dbraw/zinc/85/35/60/607853560.db2.gz HHUJUTZSOVZEOA-MWLCHTKSSA-N 0 1 382.402 0.556 20 5 GCBDMN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824677122 607970840 /nfs/dbraw/zinc/97/08/40/607970840.db2.gz BNNINXPUCMFLSG-VHSXEESVSA-N 0 1 382.402 0.699 20 5 GCBDMN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824677120 607970932 /nfs/dbraw/zinc/97/09/32/607970932.db2.gz BNNINXPUCMFLSG-NXEZZACHSA-N 0 1 382.402 0.699 20 5 GCBDMN O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000826432180 608121695 /nfs/dbraw/zinc/12/16/95/608121695.db2.gz UIBAHWDSVJAAKH-UHFFFAOYSA-N 0 1 384.360 0.292 20 5 GCBDMN CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825486204 608127389 /nfs/dbraw/zinc/12/73/89/608127389.db2.gz OAXNRXFDIINLDL-RKDXNWHRSA-N 0 1 398.401 0.641 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@@H]32)c1-c1nn[nH]n1 ZINC000826500086 608303967 /nfs/dbraw/zinc/30/39/67/608303967.db2.gz KPTGOTUMXZMBBG-MNOVXSKESA-N 0 1 394.413 0.965 20 5 GCBDMN CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826146442 608425044 /nfs/dbraw/zinc/42/50/44/608425044.db2.gz WCJBIUHRQNVLGL-KOLCDFICSA-N 0 1 382.402 0.868 20 5 GCBDMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826389625 608436483 /nfs/dbraw/zinc/43/64/83/608436483.db2.gz CQKAPXVLHSATGO-CYBMUJFWSA-N 0 1 387.404 0.088 20 5 GCBDMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826389625 608436484 /nfs/dbraw/zinc/43/64/84/608436484.db2.gz CQKAPXVLHSATGO-CYBMUJFWSA-N 0 1 387.404 0.088 20 5 GCBDMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000826389518 608436564 /nfs/dbraw/zinc/43/65/64/608436564.db2.gz AELLZGXWUSXQOH-GFCCVEGCSA-N 0 1 387.404 0.088 20 5 GCBDMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000826389518 608436565 /nfs/dbraw/zinc/43/65/65/608436565.db2.gz AELLZGXWUSXQOH-GFCCVEGCSA-N 0 1 387.404 0.088 20 5 GCBDMN CC[C@](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)(C(N)=O)C(C)C ZINC000825149527 609401565 /nfs/dbraw/zinc/40/15/65/609401565.db2.gz ZPLPYYSCSUEOFX-CQSZACIVSA-N 0 1 397.417 0.343 20 5 GCBDMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000262078625 638715344 /nfs/dbraw/zinc/71/53/44/638715344.db2.gz DSFYISAVZLDQID-VIFPVBQESA-N 0 1 389.206 0.974 20 5 GCBDMN CN1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000762554937 640609472 /nfs/dbraw/zinc/60/94/72/640609472.db2.gz MQGNDAZKRBYFSP-GFCCVEGCSA-N 0 1 394.247 0.702 20 5 GCBDMN C[N@H+](CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000773987575 640873392 /nfs/dbraw/zinc/87/33/92/640873392.db2.gz MAGMCASDUAKACV-SNVBAGLBSA-N 0 1 377.419 0.976 20 5 GCBDMN C[N@@H+](CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000773987575 640873400 /nfs/dbraw/zinc/87/34/00/640873400.db2.gz MAGMCASDUAKACV-SNVBAGLBSA-N 0 1 377.419 0.976 20 5 GCBDMN CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795925241 641530349 /nfs/dbraw/zinc/53/03/49/641530349.db2.gz OOSOVGLUIKFIKL-GFCCVEGCSA-N 0 1 384.769 0.980 20 5 GCBDMN CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795925242 641530420 /nfs/dbraw/zinc/53/04/20/641530420.db2.gz OOSOVGLUIKFIKL-LBPRGKRZSA-N 0 1 384.769 0.980 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nccs2)c1-c1nn[nH]n1 ZINC000826500421 642059171 /nfs/dbraw/zinc/05/91/71/642059171.db2.gz YAFWHKSWPYQJRH-UHFFFAOYSA-N 0 1 381.399 0.752 20 5 GCBDMN CON(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 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ZINC000173451058 1200338451 /nfs/dbraw/zinc/33/84/51/1200338451.db2.gz IPSWREYFZCFIDE-MRXNPFEDSA-N 0 1 379.392 0.930 20 5 GCBDMN CNc1nccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000553062489 1200741369 /nfs/dbraw/zinc/74/13/69/1200741369.db2.gz VZCKLEXSNJWBQF-UHFFFAOYSA-N 0 1 385.428 1.108 20 5 GCBDMN C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000429423655 1201021375 /nfs/dbraw/zinc/02/13/75/1201021375.db2.gz YRBYNTLNWLECBE-GHMZBOCLSA-N 0 1 385.446 0.253 20 5 GCBDMN Cc1nn(Cc2ccc(C(=O)Nc3n[nH]c4ncnn34)cc2)c(C)c1[N+](=O)[O-] ZINC000590380369 1201045749 /nfs/dbraw/zinc/04/57/49/1201045749.db2.gz ZSGATICZVMSIOI-UHFFFAOYSA-N 0 1 381.356 1.475 20 5 GCBDMN CN1CCN(C)[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000732149054 1201525561 /nfs/dbraw/zinc/52/55/61/1201525561.db2.gz BXFGSTIIBJGDME-OAHLLOKOSA-N 0 1 377.445 0.407 20 5 GCBDMN CC(C)(O)CN1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000742151353 1201790820 /nfs/dbraw/zinc/79/08/20/1201790820.db2.gz SRGOIWGRVJVLFK-UHFFFAOYSA-N 0 1 391.428 0.709 20 5 GCBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000744406461 1201842042 /nfs/dbraw/zinc/84/20/42/1201842042.db2.gz DFGIDOXWCRANIU-SMDDNHRTSA-N 0 1 377.361 0.642 20 5 GCBDMN COc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c(OC)n2)c([N+](=O)[O-])c1 ZINC000770515963 1202101773 /nfs/dbraw/zinc/10/17/73/1202101773.db2.gz HHNAVNFKXCPVIR-UHFFFAOYSA-N 0 1 378.297 0.903 20 5 GCBDMN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000790785963 1205471273 /nfs/dbraw/zinc/47/12/73/1205471273.db2.gz POHQJWHRYXFLAA-UHFFFAOYSA-N 0 1 377.445 0.409 20 5 GCBDMN CN1CC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001134144499 1205688255 /nfs/dbraw/zinc/68/82/55/1205688255.db2.gz PJGSYZAPRMUXSN-UKRRQHHQSA-N 0 1 382.442 0.568 20 5 GCBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CN3CCOCC3=O)c2)CC1 ZINC001134200319 1205689272 /nfs/dbraw/zinc/68/92/72/1205689272.db2.gz QCVGXRGUZANOIC-UHFFFAOYSA-N 0 1 377.401 0.144 20 5 GCBDMN C[C@]1(O)COCC[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695587 1205726568 /nfs/dbraw/zinc/72/65/68/1205726568.db2.gz HORKZCHLHWPGKU-QGZVFWFLSA-N 0 1 399.469 0.831 20 5 GCBDMN C[C@]1(O)COCCN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695587 1205726571 /nfs/dbraw/zinc/72/65/71/1205726571.db2.gz HORKZCHLHWPGKU-QGZVFWFLSA-N 0 1 399.469 0.831 20 5 GCBDMN Cn1nc2c(c1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)COCC2 ZINC001177785193 1205776924 /nfs/dbraw/zinc/77/69/24/1205776924.db2.gz UDVIWPBYBOKPMT-UHFFFAOYSA-N 0 1 395.441 0.469 20 5 GCBDMN Cn1cc(Br)c(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])n1 ZINC001190475520 1206036268 /nfs/dbraw/zinc/03/62/68/1206036268.db2.gz VHOIPEXJJZFXFH-UHFFFAOYSA-N 0 1 376.192 0.964 20 5 GCBDMN O=[N+]([O-])c1cnn(CCN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823651535 946463023 /nfs/dbraw/zinc/46/30/23/946463023.db2.gz NCPGJJCMCDXNKH-UHFFFAOYSA-N 0 1 383.416 0.789 20 5 GCBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934297 947374180 /nfs/dbraw/zinc/37/41/80/947374180.db2.gz LYBUXLKROZLICK-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934297 947374189 /nfs/dbraw/zinc/37/41/89/947374189.db2.gz LYBUXLKROZLICK-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934297 947374203 /nfs/dbraw/zinc/37/42/03/947374203.db2.gz LYBUXLKROZLICK-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934297 947374210 /nfs/dbraw/zinc/37/42/10/947374210.db2.gz LYBUXLKROZLICK-ZDUSSCGKSA-N 0 1 387.404 0.678 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CCCO)CC2)c1-c1nn[nH]n1 ZINC000826499972 948415800 /nfs/dbraw/zinc/41/58/00/948415800.db2.gz HASQLHDZQALMRD-UHFFFAOYSA-N 0 1 396.429 0.948 20 5 GCBDMN CNc1ccc(C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc1[N+](=O)[O-] ZINC001348483605 962444829 /nfs/dbraw/zinc/44/48/29/962444829.db2.gz ZEDPGMFLBBPHKY-KRWDZBQOSA-N 0 1 378.385 0.638 20 5 GCBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001574225964 962974631 /nfs/dbraw/zinc/97/46/31/962974631.db2.gz LFTHVXBSJMCAMI-GTNSWQLSSA-N 0 1 379.369 0.965 20 5 GCBDMN COc1ccc(NC(=O)CC[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001604812702 974050179 /nfs/dbraw/zinc/05/01/79/974050179.db2.gz CQPVCTYBARODGT-GTNSWQLSSA-N 0 1 379.369 0.965 20 5 GCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1CCC(=O)[O-] ZINC001594489797 985594982 /nfs/dbraw/zinc/59/49/82/985594982.db2.gz SLOWYOSILSXIQU-LLVKDONJSA-N 0 1 379.369 0.987 20 5 GCBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1CCC(=O)[O-] ZINC001594489797 985594996 /nfs/dbraw/zinc/59/49/96/985594996.db2.gz SLOWYOSILSXIQU-LLVKDONJSA-N 0 1 379.369 0.987 20 5 GCBDMN C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC001598613450 993829309 /nfs/dbraw/zinc/82/93/09/993829309.db2.gz URPWQHZSLWRINJ-CYBMUJFWSA-N 0 1 392.412 0.520 20 5 GCBDMN C[C@@H](NC(=O)c1ccc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169809 994022908 /nfs/dbraw/zinc/02/29/08/994022908.db2.gz GCRHLFJXYWWPGP-GFCCVEGCSA-N 0 1 394.428 0.691 20 5 GCBDMN COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C(=O)[O-] ZINC001598820994 996326415 /nfs/dbraw/zinc/32/64/15/996326415.db2.gz JBSLMCAXOXZEHM-QWRGUYRKSA-N 0 1 383.332 0.868 20 5 GCBDMN COc1cc(OCC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)ccc1[N+](=O)[O-] ZINC001599455934 998187727 /nfs/dbraw/zinc/18/77/27/998187727.db2.gz MHTQAHQDNHMBOU-GFCCVEGCSA-N 0 1 381.385 0.990 20 5 GCBDMN CSc1n[nH]c(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000608986401 530134034 /nfs/dbraw/zinc/13/40/34/530134034.db2.gz BTUSLQQVPFDECG-UHFFFAOYSA-N 0 1 386.415 0.742 20 5 GCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)n1 ZINC000599229829 530161326 /nfs/dbraw/zinc/16/13/26/530161326.db2.gz SSDSHXAZOUXFDC-UHFFFAOYSA-N 0 1 388.427 0.351 20 5 GCBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000599255903 530162116 /nfs/dbraw/zinc/16/21/16/530162116.db2.gz DWQIEPWCLXWMCZ-UHFFFAOYSA-N 0 1 386.411 0.137 20 5 GCBDMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000477141516 530217034 /nfs/dbraw/zinc/21/70/34/530217034.db2.gz GGIHNZHOYMNOCG-GHMZBOCLSA-N 0 1 395.434 0.873 20 5 GCBDMN CS(=O)(=O)N1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514598737 530272135 /nfs/dbraw/zinc/27/21/35/530272135.db2.gz JRCRTEVUJWFCHV-LBPRGKRZSA-N 0 1 391.471 0.382 20 5 GCBDMN O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000584781026 530511934 /nfs/dbraw/zinc/51/19/34/530511934.db2.gz CBQQNBTXFFASDD-YGRLFVJLSA-N 0 1 388.471 0.581 20 5 GCBDMN CN1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545865073 530686252 /nfs/dbraw/zinc/68/62/52/530686252.db2.gz BLHCVHSDCLESDO-LBPRGKRZSA-N 0 1 394.247 0.702 20 5 GCBDMN Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000349513537 530806278 /nfs/dbraw/zinc/80/62/78/530806278.db2.gz BOPPTLYBPJXMTJ-UHFFFAOYSA-N 0 1 392.459 0.854 20 5 GCBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCOCCO)CCN(C)C ZINC000443309899 530896970 /nfs/dbraw/zinc/89/69/70/530896970.db2.gz GLSKPUNVINRICQ-UHFFFAOYSA-N 0 1 375.447 0.464 20 5 GCBDMN Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)cc1[N+](=O)[O-] ZINC000443320155 530897345 /nfs/dbraw/zinc/89/73/45/530897345.db2.gz YOMKTGZLWMNCOC-UHFFFAOYSA-N 0 1 375.447 0.464 20 5 GCBDMN CC[C@H](CNS(C)(=O)=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564079020 530947439 /nfs/dbraw/zinc/94/74/39/530947439.db2.gz ZDHOJFMFKDDCGE-LLVKDONJSA-N 0 1 379.460 0.286 20 5 GCBDMN Cn1nnc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000486846229 530952846 /nfs/dbraw/zinc/95/28/46/530952846.db2.gz OMOBYHCGEGMVBL-UHFFFAOYSA-N 0 1 377.180 0.359 20 5 GCBDMN CN1CC[C@@](O)(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451084 531030779 /nfs/dbraw/zinc/03/07/79/531030779.db2.gz ATDREOLIRQTUTL-GFCCVEGCSA-N 0 1 383.348 0.959 20 5 GCBDMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000819513895 597454873 /nfs/dbraw/zinc/45/48/73/597454873.db2.gz VNBSSPVWXFMPPB-GFCCVEGCSA-N 0 1 375.341 0.881 20 5 GCBDMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000821531696 598065990 /nfs/dbraw/zinc/06/59/90/598065990.db2.gz NSRHXZLHIMEUMP-GFCCVEGCSA-N 0 1 393.352 0.412 20 5 GCBDMN CN1CCN(C[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)CC1 ZINC000736864029 598337276 /nfs/dbraw/zinc/33/72/76/598337276.db2.gz OHOJWYICFRSHRN-CQSZACIVSA-N 0 1 388.432 0.228 20 5 GCBDMN CCOC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736609371 598338960 /nfs/dbraw/zinc/33/89/60/598338960.db2.gz QEWVPPBOBAZBJI-CYBMUJFWSA-N 0 1 377.405 0.294 20 5 GCBDMN CCc1[nH]nc(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000736664961 598375843 /nfs/dbraw/zinc/37/58/43/598375843.db2.gz BPSFQPXSMIBAHF-UHFFFAOYSA-N 0 1 398.387 0.418 20 5 GCBDMN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736745314 598500763 /nfs/dbraw/zinc/50/07/63/598500763.db2.gz GALLZAIQQLJZMC-CYBMUJFWSA-N 0 1 389.420 0.525 20 5 GCBDMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736745314 598500765 /nfs/dbraw/zinc/50/07/65/598500765.db2.gz GALLZAIQQLJZMC-CYBMUJFWSA-N 0 1 389.420 0.525 20 5 GCBDMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736745317 598500802 /nfs/dbraw/zinc/50/08/02/598500802.db2.gz GALLZAIQQLJZMC-ZDUSSCGKSA-N 0 1 389.420 0.525 20 5 GCBDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736745317 598500803 /nfs/dbraw/zinc/50/08/03/598500803.db2.gz GALLZAIQQLJZMC-ZDUSSCGKSA-N 0 1 389.420 0.525 20 5 GCBDMN Nc1nc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ncc1[N+](=O)[O-] ZINC000737775990 598551893 /nfs/dbraw/zinc/55/18/93/598551893.db2.gz FOVLVJZJCFTCRM-UHFFFAOYSA-N 0 1 399.375 0.339 20 5 GCBDMN CCOC[C@H](O)C[NH+]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737160950 600206160 /nfs/dbraw/zinc/20/61/60/600206160.db2.gz BFCLQVOFYQBOFZ-GFCCVEGCSA-N 0 1 398.372 0.721 20 5 GCBDMN C[C@@H](NC(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655147 600560344 /nfs/dbraw/zinc/56/03/44/600560344.db2.gz CDWQPHKAPLXRET-GFCCVEGCSA-N 0 1 380.401 0.302 20 5 GCBDMN O=C([O-])c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000738674085 600622823 /nfs/dbraw/zinc/62/28/23/600622823.db2.gz YYWSZQHDHNUWPV-HNNXBMFYSA-N 0 1 392.412 0.429 20 5 GCBDMN C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C(=O)[O-] ZINC000828433120 601522492 /nfs/dbraw/zinc/52/24/92/601522492.db2.gz RMCJCLAHUODTTQ-XJKSGUPXSA-N 0 1 376.413 0.896 20 5 GCBDMN C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448100 601816105 /nfs/dbraw/zinc/81/61/05/601816105.db2.gz BEFWNRSFVPJOCQ-ANTHHZPCSA-N 0 1 376.369 0.972 20 5 GCBDMN NC(=O)c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826393893 607576027 /nfs/dbraw/zinc/57/60/27/607576027.db2.gz OAAQZESCYZFRNI-UHFFFAOYSA-N 0 1 390.337 0.642 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826499965 607576298 /nfs/dbraw/zinc/57/62/98/607576298.db2.gz GNLBOLLDSGWURH-UHFFFAOYSA-N 0 1 393.297 0.846 20 5 GCBDMN NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1 ZINC000826393572 607579005 /nfs/dbraw/zinc/57/90/05/607579005.db2.gz YJUQRQBKUCRAQS-UHFFFAOYSA-N 0 1 390.337 0.642 20 5 GCBDMN CC(=O)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000823972756 607580011 /nfs/dbraw/zinc/58/00/11/607580011.db2.gz GOILHMIYJAWVSS-UHFFFAOYSA-N 0 1 395.401 0.064 20 5 GCBDMN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC000824427093 607591322 /nfs/dbraw/zinc/59/13/22/607591322.db2.gz LFPCHMFCFLBPNW-NSHDSACASA-N 0 1 395.445 0.785 20 5 GCBDMN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824908194 607591381 /nfs/dbraw/zinc/59/13/81/607591381.db2.gz NMJBCMXOZKUDPZ-BDAKNGLRSA-N 0 1 395.401 0.049 20 5 GCBDMN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824908196 607591423 /nfs/dbraw/zinc/59/14/23/607591423.db2.gz NMJBCMXOZKUDPZ-IUCAKERBSA-N 0 1 395.401 0.049 20 5 GCBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)NC(C)(C)C ZINC000824640536 607596843 /nfs/dbraw/zinc/59/68/43/607596843.db2.gz KKWUGSDLAIFKSJ-MRVPVSSYSA-N 0 1 397.417 0.356 20 5 GCBDMN CCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825417011 607600608 /nfs/dbraw/zinc/60/06/08/607600608.db2.gz NZQLOUBYGJOKCU-SNVBAGLBSA-N 0 1 382.402 0.822 20 5 GCBDMN Cc1nc(C(C)(C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)no1 ZINC000826323333 607603407 /nfs/dbraw/zinc/60/34/07/607603407.db2.gz AFCLMIZMDMNISG-UHFFFAOYSA-N 0 1 394.373 0.680 20 5 GCBDMN COC(=O)C(C)(C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826098497 607606477 /nfs/dbraw/zinc/60/64/77/607606477.db2.gz GMADNFLJBIDMHF-UHFFFAOYSA-N 0 1 384.374 0.347 20 5 GCBDMN COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)(C)C ZINC000826112087 607616705 /nfs/dbraw/zinc/61/67/05/607616705.db2.gz RYEDGJBLAVAGAQ-NSHDSACASA-N 0 1 398.401 0.641 20 5 GCBDMN CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@H]2CCO[C@@H]21 ZINC000824790083 607643589 /nfs/dbraw/zinc/64/35/89/607643589.db2.gz KIEPVGSDWNEYGX-WQHBLYJGSA-N 0 1 394.413 0.867 20 5 GCBDMN CC(C)(CO)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824162436 607643601 /nfs/dbraw/zinc/64/36/01/607643601.db2.gz HSMHHXHOGILOFE-UHFFFAOYSA-N 0 1 384.418 0.852 20 5 GCBDMN CCC[C@@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825242552 607656173 /nfs/dbraw/zinc/65/61/73/607656173.db2.gz UUKLLLFYXOSQJY-JTQLQIEISA-N 0 1 384.418 0.852 20 5 GCBDMN CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825043145 607662641 /nfs/dbraw/zinc/66/26/41/607662641.db2.gz FFLWZROWBVWOII-AWEZNQCLSA-N 0 1 398.401 0.785 20 5 GCBDMN C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825854469 607662725 /nfs/dbraw/zinc/66/27/25/607662725.db2.gz BNTIPVVLSJSXHH-GHMZBOCLSA-N 0 1 395.445 0.926 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccncc2)c1-c1nn[nH]n1 ZINC000826500489 607674504 /nfs/dbraw/zinc/67/45/04/607674504.db2.gz ZVNSNJXYWSBQEW-UHFFFAOYSA-N 0 1 375.370 0.691 20 5 GCBDMN C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824691351 607678140 /nfs/dbraw/zinc/67/81/40/607678140.db2.gz ZYPNNPPLTSFFQE-UWVGGRQHSA-N 0 1 382.402 0.556 20 5 GCBDMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000830934544 604410023 /nfs/dbraw/zinc/41/00/23/604410023.db2.gz HFMWGYQJQWSHIL-OAHLLOKOSA-N 0 1 390.396 0.672 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ncccc2F)c1-c1nn[nH]n1 ZINC000826500059 607744104 /nfs/dbraw/zinc/74/41/04/607744104.db2.gz JQGFWCKKWVCYNO-UHFFFAOYSA-N 0 1 379.333 0.788 20 5 GCBDMN CN1CC[NH+](CC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)CC1 ZINC000821627012 606701274 /nfs/dbraw/zinc/70/12/74/606701274.db2.gz JFDGUATWATXNDI-UHFFFAOYSA-N 0 1 387.448 0.634 20 5 GCBDMN CN1CC[NH+](CC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)CC1 ZINC000821627012 606701275 /nfs/dbraw/zinc/70/12/75/606701275.db2.gz JFDGUATWATXNDI-UHFFFAOYSA-N 0 1 387.448 0.634 20 5 GCBDMN CN(C)C(=O)CC[NH+]1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821575648 606709693 /nfs/dbraw/zinc/70/96/93/606709693.db2.gz KCELQKPUJDPPIW-UHFFFAOYSA-N 0 1 389.420 0.525 20 5 GCBDMN CN(C)C(=O)CC[NH+]1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821575648 606709694 /nfs/dbraw/zinc/70/96/94/606709694.db2.gz KCELQKPUJDPPIW-UHFFFAOYSA-N 0 1 389.420 0.525 20 5 GCBDMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821625980 606709952 /nfs/dbraw/zinc/70/99/52/606709952.db2.gz ZRINAYFXIDSTJM-ZDUSSCGKSA-N 0 1 387.448 0.776 20 5 GCBDMN C[N@H+]1CCCC[C@H]1CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821625980 606709954 /nfs/dbraw/zinc/70/99/54/606709954.db2.gz ZRINAYFXIDSTJM-ZDUSSCGKSA-N 0 1 387.448 0.776 20 5 GCBDMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821625980 606709956 /nfs/dbraw/zinc/70/99/56/606709956.db2.gz ZRINAYFXIDSTJM-ZDUSSCGKSA-N 0 1 387.448 0.776 20 5 GCBDMN C[N@H+]1CCCC[C@H]1CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821625980 606709958 /nfs/dbraw/zinc/70/99/58/606709958.db2.gz ZRINAYFXIDSTJM-ZDUSSCGKSA-N 0 1 387.448 0.776 20 5 GCBDMN Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000822604537 606711245 /nfs/dbraw/zinc/71/12/45/606711245.db2.gz HALYUELHPZENOX-MRVPVSSYSA-N 0 1 388.417 0.917 20 5 GCBDMN Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000822604537 606711247 /nfs/dbraw/zinc/71/12/47/606711247.db2.gz HALYUELHPZENOX-MRVPVSSYSA-N 0 1 388.417 0.917 20 5 GCBDMN CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821175785 606730365 /nfs/dbraw/zinc/73/03/65/606730365.db2.gz VVQIVVNHSJHPIY-UHFFFAOYSA-N 0 1 397.417 0.264 20 5 GCBDMN CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821616816 606730948 /nfs/dbraw/zinc/73/09/48/606730948.db2.gz IVYGRZMGSOEODA-UHFFFAOYSA-N 0 1 378.374 0.329 20 5 GCBDMN Cc1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)no1 ZINC000822199924 606731352 /nfs/dbraw/zinc/73/13/52/606731352.db2.gz NIPFZNAHNBIBSR-UHFFFAOYSA-N 0 1 379.358 0.892 20 5 GCBDMN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC(C)(C)O1 ZINC000820766868 606732400 /nfs/dbraw/zinc/73/24/00/606732400.db2.gz DJNBMCNRDJFCND-VIFPVBQESA-N 0 1 382.402 0.963 20 5 GCBDMN CCO[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821367257 606732915 /nfs/dbraw/zinc/73/29/15/606732915.db2.gz DXICTCXZOLZDDT-JTQLQIEISA-N 0 1 382.402 0.965 20 5 GCBDMN COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821639482 606733026 /nfs/dbraw/zinc/73/30/26/606733026.db2.gz ZULVLDCGRGECQA-MRVPVSSYSA-N 0 1 384.374 0.205 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000823647519 606733743 /nfs/dbraw/zinc/73/37/43/606733743.db2.gz LJIHORYRYIABPX-LLVKDONJSA-N 0 1 393.429 0.634 20 5 GCBDMN CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820995734 606733929 /nfs/dbraw/zinc/73/39/29/606733929.db2.gz WRMGNZKACCXANL-ZJUUUORDSA-N 0 1 382.402 0.963 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1-c1nn[nH]n1 ZINC000823646950 606737327 /nfs/dbraw/zinc/73/73/27/606737327.db2.gz DQNBFOFPCMORNC-CQSZACIVSA-N 0 1 380.386 0.576 20 5 GCBDMN Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822159526 607155320 /nfs/dbraw/zinc/15/53/20/607155320.db2.gz ARPSRMMNVCEWDR-UHFFFAOYSA-N 0 1 391.369 0.583 20 5 GCBDMN CCn1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])n1 ZINC000825805028 607933299 /nfs/dbraw/zinc/93/32/99/607933299.db2.gz OQMLPYOQCVEWJA-UHFFFAOYSA-N 0 1 382.337 0.931 20 5 GCBDMN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c[nH]c1=O ZINC000826271234 607934360 /nfs/dbraw/zinc/93/43/60/607934360.db2.gz JBIJSSFDTXLPQB-UHFFFAOYSA-N 0 1 377.342 0.985 20 5 GCBDMN C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824677123 607970981 /nfs/dbraw/zinc/97/09/81/607970981.db2.gz BNNINXPUCMFLSG-ZJUUUORDSA-N 0 1 382.402 0.699 20 5 GCBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncn(Cc3ccc(-c4nn[nH]n4)cc3)n2)n1 ZINC000826363102 608280577 /nfs/dbraw/zinc/28/05/77/608280577.db2.gz 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/nfs/dbraw/zinc/58/33/03/607583303.db2.gz MOKBIGWCGNTQPW-AWEZNQCLSA-N 0 1 398.401 0.785 20 5 GCBDMN C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1 ZINC000825849388 607586887 /nfs/dbraw/zinc/58/68/87/607586887.db2.gz LCAKENCMYPPWAA-UHFFFAOYSA-N 0 1 395.445 0.928 20 5 GCBDMN C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824936601 607588051 /nfs/dbraw/zinc/58/80/51/607588051.db2.gz KCWJKZGAYGCSNF-LLVKDONJSA-N 0 1 395.445 0.928 20 5 GCBDMN C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824414245 607593342 /nfs/dbraw/zinc/59/33/42/607593342.db2.gz XYDZGVVJGOSWQY-VIFPVBQESA-N 0 1 395.401 0.064 20 5 GCBDMN CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825307517 607594307 /nfs/dbraw/zinc/59/43/07/607594307.db2.gz CJMVRDQCSJYHRR-UHFFFAOYSA-N 0 1 397.417 0.264 20 5 GCBDMN Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826334150 607606899 /nfs/dbraw/zinc/60/68/99/607606899.db2.gz 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20 5 GCBDMN C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000826029812 607611481 /nfs/dbraw/zinc/61/14/81/607611481.db2.gz XJELPCCLVUASLE-SNVBAGLBSA-N 0 1 381.418 0.395 20 5 GCBDMN C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825855031 607613631 /nfs/dbraw/zinc/61/36/31/607613631.db2.gz GFRAJIRELUIQHX-JTQLQIEISA-N 0 1 381.418 0.490 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC[C@@H]2CCOC2)c1-c1nn[nH]n1 ZINC000826499908 607613903 /nfs/dbraw/zinc/61/39/03/607613903.db2.gz DLJVCLNJOWRMJR-SNVBAGLBSA-N 0 1 398.401 0.106 20 5 GCBDMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000824999193 607614847 /nfs/dbraw/zinc/61/48/47/607614847.db2.gz DLEXJPUMIQGEIJ-WDEREUQCSA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999193 607614850 /nfs/dbraw/zinc/61/48/50/607614850.db2.gz DLEXJPUMIQGEIJ-WDEREUQCSA-N 0 1 393.429 0.632 20 5 GCBDMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824999193 607614851 /nfs/dbraw/zinc/61/48/51/607614851.db2.gz DLEXJPUMIQGEIJ-WDEREUQCSA-N 0 1 393.429 0.632 20 5 GCBDMN C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825859932 607615317 /nfs/dbraw/zinc/61/53/17/607615317.db2.gz IVQNXFYCONRZFH-SNVBAGLBSA-N 0 1 381.418 0.347 20 5 GCBDMN CCCCOC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825290617 607618387 /nfs/dbraw/zinc/61/83/87/607618387.db2.gz BNKYRWZZVGJDNV-UHFFFAOYSA-N 0 1 384.374 0.397 20 5 GCBDMN NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826390320 607622076 /nfs/dbraw/zinc/62/20/76/607622076.db2.gz WRYDZXODKHJTCS-DTWKUNHWSA-N 0 1 395.401 0.097 20 5 GCBDMN CC1(C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@H]2CCO[C@H]21 ZINC000824790078 607643329 /nfs/dbraw/zinc/64/33/29/607643329.db2.gz KIEPVGSDWNEYGX-BZHVJNSISA-N 0 1 394.413 0.867 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N(CCCCO)C2CC2)c1-c1nn[nH]n1 ZINC000826500065 607644812 /nfs/dbraw/zinc/64/48/12/607644812.db2.gz JROUZMZJIFEOQV-UHFFFAOYSA-N 0 1 382.402 0.701 20 5 GCBDMN COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826155863 607647526 /nfs/dbraw/zinc/64/75/26/607647526.db2.gz FNVAKIYYXVBJOT-UHFFFAOYSA-N 0 1 399.433 0.022 20 5 GCBDMN COCCOC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826160797 607648913 /nfs/dbraw/zinc/64/89/13/607648913.db2.gz GZFQIGFMILJJMV-VIFPVBQESA-N 0 1 386.390 0.105 20 5 GCBDMN CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)C1 ZINC000825443517 607654220 /nfs/dbraw/zinc/65/42/20/607654220.db2.gz CWOHBCNDESZHCS-VHSXEESVSA-N 0 1 381.418 0.393 20 5 GCBDMN CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825089310 607657691 /nfs/dbraw/zinc/65/76/91/607657691.db2.gz CJIQKXZIDAARPN-VHSXEESVSA-N 0 1 384.418 0.850 20 5 GCBDMN COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000826112123 607658453 /nfs/dbraw/zinc/65/84/53/607658453.db2.gz SPQBAMDZAQVCPC-NSHDSACASA-N 0 1 382.358 0.005 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOc3ncccc32)c1-c1nn[nH]n1 ZINC000826500455 607663759 /nfs/dbraw/zinc/66/37/59/607663759.db2.gz YYMNGQUDQPKLQY-UHFFFAOYSA-N 0 1 389.353 0.758 20 5 GCBDMN NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826390032 607663366 /nfs/dbraw/zinc/66/33/66/607663366.db2.gz OJGZZIIWDVKAGP-BDAKNGLRSA-N 0 1 395.401 0.097 20 5 GCBDMN C[C@H](NC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703334 604637953 /nfs/dbraw/zinc/63/79/53/604637953.db2.gz KOIUNSREMWKNQP-ZIBATOQPSA-N 0 1 380.401 0.929 20 5 GCBDMN C[C@H](NC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703334 604637955 /nfs/dbraw/zinc/63/79/55/604637955.db2.gz KOIUNSREMWKNQP-ZIBATOQPSA-N 0 1 380.401 0.929 20 5 GCBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000833626564 605165825 /nfs/dbraw/zinc/16/58/25/605165825.db2.gz PMYLKZNSWLRSHS-GFCCVEGCSA-N 0 1 388.384 0.797 20 5 GCBDMN C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824698697 607747482 /nfs/dbraw/zinc/74/74/82/607747482.db2.gz NCAQJDSVTPIBDK-ZJUUUORDSA-N 0 1 382.402 0.699 20 5 GCBDMN COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000833706481 605393272 /nfs/dbraw/zinc/39/32/72/605393272.db2.gz HGWNRJNYDCDGBP-YRGRVCCFSA-N 0 1 382.369 0.673 20 5 GCBDMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000833707903 605696175 /nfs/dbraw/zinc/69/61/75/605696175.db2.gz NGDGXCMNVXDOSA-ZLDLUXBVSA-N 0 1 382.369 0.673 20 5 GCBDMN COC(=O)C1CC[NH+](CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821655155 606697949 /nfs/dbraw/zinc/69/79/49/606697949.db2.gz GJWBBQHDVLPCPQ-UHFFFAOYSA-N 0 1 390.404 0.857 20 5 GCBDMN COC(=O)C1CC[NH+](CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821655155 606697952 /nfs/dbraw/zinc/69/79/52/606697952.db2.gz GJWBBQHDVLPCPQ-UHFFFAOYSA-N 0 1 390.404 0.857 20 5 GCBDMN CC[NH+](CC)CC(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821181604 606708250 /nfs/dbraw/zinc/70/82/50/606708250.db2.gz NFYMBDJQQMIFBB-UHFFFAOYSA-N 0 1 389.420 0.160 20 5 GCBDMN CN(Cc1ccncc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821615629 606731105 /nfs/dbraw/zinc/73/11/05/606731105.db2.gz GGUGSAPFIBVJNK-UHFFFAOYSA-N 0 1 375.370 0.991 20 5 GCBDMN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000819803888 606731884 /nfs/dbraw/zinc/73/18/84/606731884.db2.gz RFZDUGFARONESR-SNVBAGLBSA-N 0 1 395.401 0.064 20 5 GCBDMN CCCN(CC(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821087368 606732608 /nfs/dbraw/zinc/73/26/08/606732608.db2.gz ASAUNJFRYYMGBM-UHFFFAOYSA-N 0 1 398.401 0.739 20 5 GCBDMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000820750935 606734216 /nfs/dbraw/zinc/73/42/16/606734216.db2.gz DOHGJNSWTFHZRM-GHMZBOCLSA-N 0 1 395.445 0.736 20 5 GCBDMN C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820750935 606734222 /nfs/dbraw/zinc/73/42/22/606734222.db2.gz DOHGJNSWTFHZRM-GHMZBOCLSA-N 0 1 395.445 0.736 20 5 GCBDMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820750935 606734224 /nfs/dbraw/zinc/73/42/24/606734224.db2.gz DOHGJNSWTFHZRM-GHMZBOCLSA-N 0 1 395.445 0.736 20 5 GCBDMN C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820767070 606736003 /nfs/dbraw/zinc/73/60/03/606736003.db2.gz FTAGTFZXUHPHDH-ONGXEEELSA-N 0 1 381.418 0.346 20 5 GCBDMN C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820767068 606736298 /nfs/dbraw/zinc/73/62/98/606736298.db2.gz FTAGTFZXUHPHDH-MWLCHTKSSA-N 0 1 381.418 0.346 20 5 GCBDMN NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000822865287 606736704 /nfs/dbraw/zinc/73/67/04/606736704.db2.gz ZMPUBXOWYHJNAA-SECBINFHSA-N 0 1 395.401 0.051 20 5 GCBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821607633 607205836 /nfs/dbraw/zinc/20/58/36/607205836.db2.gz XHKULXLSTJOWDT-UHFFFAOYSA-N 0 1 377.752 0.678 20 5 GCBDMN Cc1ccc(NCCCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c([N+](=O)[O-])c1 ZINC000822254347 607219201 /nfs/dbraw/zinc/21/92/01/607219201.db2.gz HKJMQSJTHYMLON-UHFFFAOYSA-N 0 1 386.376 0.293 20 5 GCBDMN CC(=O)OC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824010700 607811619 /nfs/dbraw/zinc/81/16/19/607811619.db2.gz QNKZXEDSCAXBHK-UHFFFAOYSA-N 0 1 396.385 0.491 20 5 GCBDMN Cc1c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cnn1C ZINC000826236388 607972229 /nfs/dbraw/zinc/97/22/29/607972229.db2.gz KAVAIOWHEZDWLG-UHFFFAOYSA-N 0 1 378.374 0.295 20 5 GCBDMN CCC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000825261071 607975478 /nfs/dbraw/zinc/97/54/78/607975478.db2.gz SQBOPLBEQUAAEK-SNVBAGLBSA-N 0 1 382.402 0.965 20 5 GCBDMN CCC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000825261068 607975657 /nfs/dbraw/zinc/97/56/57/607975657.db2.gz SQBOPLBEQUAAEK-JTQLQIEISA-N 0 1 382.402 0.965 20 5 GCBDMN CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825506780 608026362 /nfs/dbraw/zinc/02/63/62/608026362.db2.gz MFNCDSKYYDSTAP-SECBINFHSA-N 0 1 398.401 0.785 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3nccn3C2)c1-c1nn[nH]n1 ZINC000826500010 608056051 /nfs/dbraw/zinc/05/60/51/608056051.db2.gz HUESWEAMGLUFDY-VIFPVBQESA-N 0 1 390.385 0.265 20 5 GCBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2noc(C3CC3)n2)c1-c1nn[nH]n1 ZINC000826500358 608112112 /nfs/dbraw/zinc/11/21/12/608112112.db2.gz VPFZAJIPJBXNEK-UHFFFAOYSA-N 0 1 392.357 0.514 20 5 GCBDMN C[C@H]1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824886283 608155417 /nfs/dbraw/zinc/15/54/17/608155417.db2.gz WSBLKLMYGCINBB-VHSXEESVSA-N 0 1 382.402 0.868 20 5 GCBDMN CC(C)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000824225792 609331836 /nfs/dbraw/zinc/33/18/36/609331836.db2.gz VWIOCAYZMBZKEO-NSHDSACASA-N 0 1 382.402 0.820 20 5 GCBDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000236616149 638593346 /nfs/dbraw/zinc/59/33/46/638593346.db2.gz COCLJTPDQACIFD-UHFFFAOYSA-N 0 1 393.263 0.541 20 5 GCBDMN CN(C)CCNS(=O)(=O)c1ccc(NCC[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000735075357 640010503 /nfs/dbraw/zinc/01/05/03/640010503.db2.gz SRODIRSIMOZKMI-HSZRJFAPSA-N 0 1 378.476 0.225 20 5 GCBDMN CC[S@](=O)CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000735075465 640010645 /nfs/dbraw/zinc/01/06/45/640010645.db2.gz IULSJYBJLJRGNA-DEOSSOPVSA-N 0 1 392.503 0.615 20 5 GCBDMN CCn1cc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2F)c([N+](=O)[O-])n1 ZINC000756930890 640497620 /nfs/dbraw/zinc/49/76/20/640497620.db2.gz JRHUJRHQYWWWRA-UHFFFAOYSA-N 0 1 393.378 0.399 20 5 GCBDMN NS(=O)(=O)c1ccccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000805145802 640513168 /nfs/dbraw/zinc/51/31/68/640513168.db2.gz YGMGHTPOKZQYQU-UHFFFAOYSA-N 0 1 389.386 0.860 20 5 GCBDMN CN1CC[C@](O)(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554371 640609325 /nfs/dbraw/zinc/60/93/25/640609325.db2.gz GOQWSCYOUPZQQF-LBPRGKRZSA-N 0 1 394.247 0.702 20 5 GCBDMN COc1ccc(S(=O)(=O)[N-]C(=O)C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000773942812 640872506 /nfs/dbraw/zinc/87/25/06/640872506.db2.gz HBCUZAXTRTWYOS-SNVBAGLBSA-N 0 1 389.455 0.846 20 5 GCBDMN COc1ccc(S(=O)(=O)[N-]C(=O)C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000773942812 640872510 /nfs/dbraw/zinc/87/25/10/640872510.db2.gz HBCUZAXTRTWYOS-SNVBAGLBSA-N 0 1 389.455 0.846 20 5 GCBDMN COc1cc(S(=O)(=O)[N-]C(=O)C[N@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000774183811 640879891 /nfs/dbraw/zinc/87/98/91/640879891.db2.gz LYJMVCCDIRRWIN-SNVBAGLBSA-N 0 1 389.455 0.846 20 5 GCBDMN COc1cc(S(=O)(=O)[N-]C(=O)C[N@@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000774183811 640879894 /nfs/dbraw/zinc/87/98/94/640879894.db2.gz LYJMVCCDIRRWIN-SNVBAGLBSA-N 0 1 389.455 0.846 20 5 GCBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N1CCNCC1 ZINC000842694880 642344069 /nfs/dbraw/zinc/34/40/69/642344069.db2.gz ZTQJBJDDHQUUTJ-UHFFFAOYSA-N 0 1 376.822 0.267 20 5 GCBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859176492 642984489 /nfs/dbraw/zinc/98/44/89/642984489.db2.gz VTNXPVJUNGPNGV-BDAKNGLRSA-N 0 1 377.423 0.908 20 5 GCBDMN COC(=O)c1nc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Cl ZINC000859219734 642988710 /nfs/dbraw/zinc/98/87/10/642988710.db2.gz GPAUFGZUHIYNBT-UHFFFAOYSA-N 0 1 389.777 0.642 20 5 GCBDMN COc1cc(CCNC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000419022745 1192724990 /nfs/dbraw/zinc/72/49/90/1192724990.db2.gz LQIXWUGBJKMJMY-RYUDHWBXSA-N 0 1 394.428 0.480 20 5 GCBDMN COCCNC(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 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