smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1CC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001276050849 861304157 /nfs/dbraw/zinc/30/41/57/861304157.db2.gz QDXDHEDTABDCOP-VXGBXAGGSA-N 1 2 354.432 0.212 10 5 FCBELO CC[C@@H]1COCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001164067117 850392775 /nfs/dbraw/zinc/39/27/75/850392775.db2.gz JRKNDEHBGAXBLM-LLVKDONJSA-N 1 2 358.420 0.765 10 5 FCBELO CC[C@@H]1COCC[N@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001164067117 850392781 /nfs/dbraw/zinc/39/27/81/850392781.db2.gz JRKNDEHBGAXBLM-LLVKDONJSA-N 1 2 358.420 0.765 10 5 FCBELO COCC[NH+](CCOC)C1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001164356664 850409095 /nfs/dbraw/zinc/40/90/95/850409095.db2.gz ZEKJPPHSQJKUHA-UHFFFAOYSA-N 1 2 353.375 0.720 10 5 FCBELO CC(C)(O)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001167681089 850552497 /nfs/dbraw/zinc/55/24/97/850552497.db2.gz QGBDXAQURZNLDR-OAHLLOKOSA-N 1 2 351.403 0.875 10 5 FCBELO COC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001170351039 850650661 /nfs/dbraw/zinc/65/06/61/850650661.db2.gz GKFDQIJUCZVVCZ-INIZCTEOSA-N 1 2 353.375 0.873 10 5 FCBELO COC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001170351039 850650668 /nfs/dbraw/zinc/65/06/68/850650668.db2.gz GKFDQIJUCZVVCZ-INIZCTEOSA-N 1 2 353.375 0.873 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001171230550 850680301 /nfs/dbraw/zinc/68/03/01/850680301.db2.gz ONDYOUKTZIATJR-MISXGVKJSA-N 1 2 353.375 0.606 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001171230550 850680308 /nfs/dbraw/zinc/68/03/08/850680308.db2.gz ONDYOUKTZIATJR-MISXGVKJSA-N 1 2 353.375 0.606 10 5 FCBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]Cc2cnsn2)CC1 ZINC001282581642 864352548 /nfs/dbraw/zinc/35/25/48/864352548.db2.gz CFJKNPOVYABJLD-ZIAGYGMSSA-N 1 2 369.447 0.691 10 5 FCBELO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001284911124 864601082 /nfs/dbraw/zinc/60/10/82/864601082.db2.gz WMKAEOBDFZBIHF-HUUCEWRRSA-N 1 2 350.419 0.316 10 5 FCBELO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001284911124 864601084 /nfs/dbraw/zinc/60/10/84/864601084.db2.gz WMKAEOBDFZBIHF-HUUCEWRRSA-N 1 2 350.419 0.316 10 5 FCBELO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001294691791 865849812 /nfs/dbraw/zinc/84/98/12/865849812.db2.gz ZSCWXXNBQFXAEH-SNVBAGLBSA-N 1 2 373.797 0.535 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC001331477574 873118050 /nfs/dbraw/zinc/11/80/50/873118050.db2.gz CHSVWEMCNBCTPU-SECBINFHSA-N 1 2 350.356 0.550 10 5 FCBELO O=[N+]([O-])c1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1 ZINC000265399753 210122140 /nfs/dbraw/zinc/12/21/40/210122140.db2.gz XVBQWHICXWPGAI-RYUDHWBXSA-N 1 2 361.445 0.244 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000264874493 210006350 /nfs/dbraw/zinc/00/63/50/210006350.db2.gz SKTVYGFPFKKFDH-UHFFFAOYSA-N 1 2 361.445 0.931 10 5 FCBELO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285519086 213354006 /nfs/dbraw/zinc/35/40/06/213354006.db2.gz GMTPWVYWQNDHRQ-CYBMUJFWSA-N 1 2 370.431 0.550 10 5 FCBELO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285519086 213354007 /nfs/dbraw/zinc/35/40/07/213354007.db2.gz GMTPWVYWQNDHRQ-CYBMUJFWSA-N 1 2 370.431 0.550 10 5 FCBELO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285432623 213341161 /nfs/dbraw/zinc/34/11/61/213341161.db2.gz KRVFDVMIZDPDRX-UHFFFAOYSA-N 1 2 370.431 0.795 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246621409 209394000 /nfs/dbraw/zinc/39/40/00/209394000.db2.gz XTQGQFNIFJUVIL-IUODEOHRSA-N 1 2 355.416 0.936 10 5 FCBELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245460179 209366319 /nfs/dbraw/zinc/36/63/19/209366319.db2.gz VPVXHHBBQJEHCB-NEPJUHHUSA-N 1 2 366.403 0.712 10 5 FCBELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245460179 209366322 /nfs/dbraw/zinc/36/63/22/209366322.db2.gz VPVXHHBBQJEHCB-NEPJUHHUSA-N 1 2 366.403 0.712 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188722763 209236657 /nfs/dbraw/zinc/23/66/57/209236657.db2.gz NUUKRTLAUQHXBE-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188722763 209236660 /nfs/dbraw/zinc/23/66/60/209236660.db2.gz NUUKRTLAUQHXBE-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000186237610 209188697 /nfs/dbraw/zinc/18/86/97/209188697.db2.gz LSLMCJLDCLFXPV-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275391054 212018000 /nfs/dbraw/zinc/01/80/00/212018000.db2.gz NIUCRWUYSAZFFX-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374024650 217086228 /nfs/dbraw/zinc/08/62/28/217086228.db2.gz GJHILEPRFQIJFK-IUODEOHRSA-N 1 2 371.353 0.510 10 5 FCBELO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000183669945 209150634 /nfs/dbraw/zinc/15/06/34/209150634.db2.gz GSFXBTLVVKTPEC-INIZCTEOSA-N 1 2 369.443 0.920 10 5 FCBELO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000183669945 209150636 /nfs/dbraw/zinc/15/06/36/209150636.db2.gz GSFXBTLVVKTPEC-INIZCTEOSA-N 1 2 369.443 0.920 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000183250129 209144199 /nfs/dbraw/zinc/14/41/99/209144199.db2.gz MEJOQEZTWXYBPP-UHFFFAOYSA-N 1 2 362.430 0.880 10 5 FCBELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000181702419 209120518 /nfs/dbraw/zinc/12/05/18/209120518.db2.gz DVVVALJLVPWLLZ-CYBMUJFWSA-N 1 2 351.388 0.664 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000270978319 211311052 /nfs/dbraw/zinc/31/10/52/211311052.db2.gz JAWKZDHYKHQFOG-AWEZNQCLSA-N 1 2 359.386 0.959 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000270978319 211311058 /nfs/dbraw/zinc/31/10/58/211311058.db2.gz JAWKZDHYKHQFOG-AWEZNQCLSA-N 1 2 359.386 0.959 10 5 FCBELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180300829 209094893 /nfs/dbraw/zinc/09/48/93/209094893.db2.gz JDMDYPDKEHJSEG-INIZCTEOSA-N 1 2 371.459 0.856 10 5 FCBELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000178782946 209060354 /nfs/dbraw/zinc/06/03/54/209060354.db2.gz RBWOBRAKAMKHSN-INIZCTEOSA-N 1 2 356.386 0.510 10 5 FCBELO Cn1cc[nH+]c1CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161715468 229198765 /nfs/dbraw/zinc/19/87/65/229198765.db2.gz OFXNGNYBTWVANO-UHFFFAOYSA-N 1 2 362.394 0.052 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000363630900 488865922 /nfs/dbraw/zinc/86/59/22/488865922.db2.gz BRZVNJFKQAKSND-UHFFFAOYSA-N 1 2 350.375 0.497 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000363630900 488865924 /nfs/dbraw/zinc/86/59/24/488865924.db2.gz BRZVNJFKQAKSND-UHFFFAOYSA-N 1 2 350.375 0.497 10 5 FCBELO CCCc1n[nH]c(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000109688657 488523510 /nfs/dbraw/zinc/52/35/10/488523510.db2.gz KZACAGVPYOHQQF-UHFFFAOYSA-N 1 2 361.406 0.962 10 5 FCBELO CCCc1[nH]nc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000109688657 488523511 /nfs/dbraw/zinc/52/35/11/488523511.db2.gz KZACAGVPYOHQQF-UHFFFAOYSA-N 1 2 361.406 0.962 10 5 FCBELO CCn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000261660811 488529385 /nfs/dbraw/zinc/52/93/85/488529385.db2.gz IFEQKYSOCXATJI-LBPRGKRZSA-N 1 2 366.403 0.541 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123323463 488584335 /nfs/dbraw/zinc/58/43/35/488584335.db2.gz HDCWRJSJKGSHHD-CQSZACIVSA-N 1 2 357.432 0.813 10 5 FCBELO CCOC(=O)C1(O)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266953158 488747571 /nfs/dbraw/zinc/74/75/71/488747571.db2.gz UWWCIHKXKVZDHG-UHFFFAOYSA-N 1 2 365.386 0.948 10 5 FCBELO CNc1cc(N2CCC[C@H]2CNC(=O)CCn2cc([N+](=O)[O-])cn2)nc[nH+]1 ZINC000173427219 488842776 /nfs/dbraw/zinc/84/27/76/488842776.db2.gz WLRFVPJUIYDVBB-LBPRGKRZSA-N 1 2 374.405 0.798 10 5 FCBELO CNc1cc(N2CCC[C@H]2CNC(=O)CCn2cc([N+](=O)[O-])cn2)[nH+]cn1 ZINC000173427219 488842777 /nfs/dbraw/zinc/84/27/77/488842777.db2.gz WLRFVPJUIYDVBB-LBPRGKRZSA-N 1 2 374.405 0.798 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000365080735 489036103 /nfs/dbraw/zinc/03/61/03/489036103.db2.gz BIZHLKRZZVGDHY-UHFFFAOYSA-N 1 2 365.346 0.397 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000365080735 489036106 /nfs/dbraw/zinc/03/61/06/489036106.db2.gz BIZHLKRZZVGDHY-UHFFFAOYSA-N 1 2 365.346 0.397 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452104291 489546618 /nfs/dbraw/zinc/54/66/18/489546618.db2.gz LQEUYGXMNAULOO-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452104291 489546619 /nfs/dbraw/zinc/54/66/19/489546619.db2.gz LQEUYGXMNAULOO-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000427372532 489604530 /nfs/dbraw/zinc/60/45/30/489604530.db2.gz OEFQFOWZSWDNDN-NSHDSACASA-N 1 2 353.379 0.521 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000427372532 489604531 /nfs/dbraw/zinc/60/45/31/489604531.db2.gz OEFQFOWZSWDNDN-NSHDSACASA-N 1 2 353.379 0.521 10 5 FCBELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000427444586 489608430 /nfs/dbraw/zinc/60/84/30/489608430.db2.gz RLZSIQKWNGVWTQ-LBPRGKRZSA-N 1 2 350.375 0.367 10 5 FCBELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000427444586 489608433 /nfs/dbraw/zinc/60/84/33/489608433.db2.gz RLZSIQKWNGVWTQ-LBPRGKRZSA-N 1 2 350.375 0.367 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)n1 ZINC000427706459 489618143 /nfs/dbraw/zinc/61/81/43/489618143.db2.gz UBLUVPSVPNUUMX-NSHDSACASA-N 1 2 353.379 0.521 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)n1 ZINC000427706459 489618146 /nfs/dbraw/zinc/61/81/46/489618146.db2.gz UBLUVPSVPNUUMX-NSHDSACASA-N 1 2 353.379 0.521 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416673170 489625895 /nfs/dbraw/zinc/62/58/95/489625895.db2.gz ZSSMVWDDCYNZSU-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416673170 489625898 /nfs/dbraw/zinc/62/58/98/489625898.db2.gz ZSSMVWDDCYNZSU-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000457079670 489634570 /nfs/dbraw/zinc/63/45/70/489634570.db2.gz AIKSUUKAKWBBBG-LBPRGKRZSA-N 1 2 365.386 0.910 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000457079670 489634573 /nfs/dbraw/zinc/63/45/73/489634573.db2.gz AIKSUUKAKWBBBG-LBPRGKRZSA-N 1 2 365.386 0.910 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428520935 489652193 /nfs/dbraw/zinc/65/21/93/489652193.db2.gz ICGBZKGRJWHVSU-GFCCVEGCSA-N 1 2 365.386 0.910 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428520935 489652196 /nfs/dbraw/zinc/65/21/96/489652196.db2.gz ICGBZKGRJWHVSU-GFCCVEGCSA-N 1 2 365.386 0.910 10 5 FCBELO COC(=O)COc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475094409 489806174 /nfs/dbraw/zinc/80/61/74/489806174.db2.gz PUKWXNBPJLHPQM-CQSZACIVSA-N 1 2 365.386 0.663 10 5 FCBELO COC(=O)COc1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475094409 489806175 /nfs/dbraw/zinc/80/61/75/489806175.db2.gz PUKWXNBPJLHPQM-CQSZACIVSA-N 1 2 365.386 0.663 10 5 FCBELO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533260321 490202722 /nfs/dbraw/zinc/20/27/22/490202722.db2.gz CYYPRPXFYFAMBA-SECBINFHSA-N 1 2 351.315 0.757 10 5 FCBELO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533260321 490202729 /nfs/dbraw/zinc/20/27/29/490202729.db2.gz CYYPRPXFYFAMBA-SECBINFHSA-N 1 2 351.315 0.757 10 5 FCBELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2C1 ZINC000447681164 490255833 /nfs/dbraw/zinc/25/58/33/490255833.db2.gz WQKHXYSAFMIURR-UHFFFAOYSA-N 1 2 358.358 0.273 10 5 FCBELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2C1 ZINC000447681164 490255839 /nfs/dbraw/zinc/25/58/39/490255839.db2.gz WQKHXYSAFMIURR-UHFFFAOYSA-N 1 2 358.358 0.273 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000450583977 490475783 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CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000599455716 492174997 /nfs/dbraw/zinc/17/49/97/492174997.db2.gz USSLXXYRZXNLPZ-UHFFFAOYSA-N 1 2 370.431 0.865 10 5 FCBELO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599539780 492185034 /nfs/dbraw/zinc/18/50/34/492185034.db2.gz NOGCIGJUMBWEEE-AWEZNQCLSA-N 1 2 365.390 0.553 10 5 FCBELO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599539780 492185036 /nfs/dbraw/zinc/18/50/36/492185036.db2.gz NOGCIGJUMBWEEE-AWEZNQCLSA-N 1 2 365.390 0.553 10 5 FCBELO COC(=O)[C@@](C)(NC[C@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599644187 492196207 /nfs/dbraw/zinc/19/62/07/492196207.db2.gz TZACLARUNPWLAD-RDJZCZTQSA-N 1 2 367.402 0.266 10 5 FCBELO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000609037371 492196885 /nfs/dbraw/zinc/19/68/85/492196885.db2.gz ILXLKBFTWUIYFD-UHFFFAOYSA-N 1 2 359.264 0.832 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600230679 492250913 /nfs/dbraw/zinc/25/09/13/492250913.db2.gz BHURQDUNOQBMRG-GOSISDBHSA-N 1 2 363.414 0.869 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600230679 492250915 /nfs/dbraw/zinc/25/09/15/492250915.db2.gz BHURQDUNOQBMRG-GOSISDBHSA-N 1 2 363.414 0.869 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3(O)CCC3)CC2)cc1 ZINC000610705930 492259338 /nfs/dbraw/zinc/25/93/38/492259338.db2.gz FEVYEJKJSKTHRJ-UHFFFAOYSA-N 1 2 355.416 0.816 10 5 FCBELO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](CO)C[NH+]1CCOCC1 ZINC000619871026 492280556 /nfs/dbraw/zinc/28/05/56/492280556.db2.gz DSQCKZTVPYEGPH-ZDUSSCGKSA-N 1 2 362.386 0.428 10 5 FCBELO Cc1c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000187257943 533753408 /nfs/dbraw/zinc/75/34/08/533753408.db2.gz BOSDYRDOMJQDQS-LBPRGKRZSA-N 1 2 374.401 0.623 10 5 FCBELO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000187257943 533753413 /nfs/dbraw/zinc/75/34/13/533753413.db2.gz BOSDYRDOMJQDQS-LBPRGKRZSA-N 1 2 374.401 0.623 10 5 FCBELO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000593339236 546967794 /nfs/dbraw/zinc/96/77/94/546967794.db2.gz GNZYAWGBWBPOLP-GFCCVEGCSA-N 1 2 353.375 0.369 10 5 FCBELO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593531053 546970471 /nfs/dbraw/zinc/97/04/71/546970471.db2.gz MCOHEAHSYLQOFT-ZDUSSCGKSA-N 1 2 358.420 0.625 10 5 FCBELO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593531053 546970477 /nfs/dbraw/zinc/97/04/77/546970477.db2.gz MCOHEAHSYLQOFT-ZDUSSCGKSA-N 1 2 358.420 0.625 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000593591223 546981494 /nfs/dbraw/zinc/98/14/94/546981494.db2.gz GQJDSYJOXIBHNY-CYBMUJFWSA-N 1 2 370.431 0.723 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000594492536 547001087 /nfs/dbraw/zinc/00/10/87/547001087.db2.gz PSBRJIRYROKDEV-CYBMUJFWSA-N 1 2 370.431 0.865 10 5 FCBELO C[NH+]1CCN(CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594748593 547004732 /nfs/dbraw/zinc/00/47/32/547004732.db2.gz NEFHAJBQNOBZLJ-UHFFFAOYSA-N 1 2 357.436 0.296 10 5 FCBELO CN1CC[NH+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594748593 547004739 /nfs/dbraw/zinc/00/47/39/547004739.db2.gz NEFHAJBQNOBZLJ-UHFFFAOYSA-N 1 2 357.436 0.296 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Cl)c1 ZINC000917044708 667045775 /nfs/dbraw/zinc/04/57/75/667045775.db2.gz KWZFVLOLGAVUMG-GFCCVEGCSA-N 1 2 374.850 0.916 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(Cl)c1 ZINC000917044708 667045779 /nfs/dbraw/zinc/04/57/79/667045779.db2.gz KWZFVLOLGAVUMG-GFCCVEGCSA-N 1 2 374.850 0.916 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000917061355 667050513 /nfs/dbraw/zinc/05/05/13/667050513.db2.gz HJBRUGWAGFVTMK-AWEZNQCLSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000917061355 667050518 /nfs/dbraw/zinc/05/05/18/667050518.db2.gz HJBRUGWAGFVTMK-AWEZNQCLSA-N 1 2 368.459 0.880 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(S(C)(=O)=O)c1 ZINC001490193821 1209275082 /nfs/dbraw/zinc/27/50/82/1209275082.db2.gz YWUOVFYVTYTURR-HUUCEWRRSA-N 1 2 369.443 0.693 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(S(C)(=O)=O)c1 ZINC001490193821 1209275084 /nfs/dbraw/zinc/27/50/84/1209275084.db2.gz YWUOVFYVTYTURR-HUUCEWRRSA-N 1 2 369.443 0.693 10 5 FCBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058134 1210101611 /nfs/dbraw/zinc/10/16/11/1210101611.db2.gz IQUFDCDVYSBOCN-OAHLLOKOSA-N 1 2 367.377 0.836 10 5 FCBELO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000800626765 1217991301 /nfs/dbraw/zinc/99/13/01/1217991301.db2.gz LQXHPJUHSWJOFT-JTQLQIEISA-N 1 2 368.365 0.506 10 5 FCBELO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000800626765 1217991305 /nfs/dbraw/zinc/99/13/05/1217991305.db2.gz LQXHPJUHSWJOFT-JTQLQIEISA-N 1 2 368.365 0.506 10 5 FCBELO CC(C)c1[nH+]ccn1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941007505 1246428502 /nfs/dbraw/zinc/42/85/02/1246428502.db2.gz NWBKXOLUEYPENB-ZIAGYGMSSA-N 1 2 363.418 0.733 10 5 FCBELO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC001251660290 1259755315 /nfs/dbraw/zinc/75/53/15/1259755315.db2.gz NQZWPIYRPYZDED-AWEZNQCLSA-N 1 2 364.450 0.942 10 5 FCBELO CN(CC1CC1)C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001282964531 1261662832 /nfs/dbraw/zinc/66/28/32/1261662832.db2.gz IDGNOBRPDSMMPM-HUUCEWRRSA-N 1 2 364.446 0.444 10 5 FCBELO CN(CC1CC1)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001282964531 1261662843 /nfs/dbraw/zinc/66/28/43/1261662843.db2.gz IDGNOBRPDSMMPM-HUUCEWRRSA-N 1 2 364.446 0.444 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)CCC2 ZINC001317447705 1263511517 /nfs/dbraw/zinc/51/15/17/1263511517.db2.gz DUSSDERCYFPGRG-HZPDHXFCSA-N 1 2 360.414 0.827 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)CCC2 ZINC001317447705 1263511522 /nfs/dbraw/zinc/51/15/22/1263511522.db2.gz DUSSDERCYFPGRG-HZPDHXFCSA-N 1 2 360.414 0.827 10 5 FCBELO CC(C)CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C(C)C ZINC001494552144 1263774066 /nfs/dbraw/zinc/77/40/66/1263774066.db2.gz JLNCKDJDRYTXOQ-HUUCEWRRSA-N 1 2 354.451 0.593 10 5 FCBELO O=C(NC/C=C\C[NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321056312 1263901025 /nfs/dbraw/zinc/90/10/25/1263901025.db2.gz DPVCAZJCSOWGCQ-ZYDHHDLOSA-N 1 2 356.386 0.695 10 5 FCBELO O=C(NC1(CO)CC[NH+](Cc2ccnc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505376307 1264269767 /nfs/dbraw/zinc/26/97/67/1264269767.db2.gz KKVUJSWMRHSVJI-CHWSQXEVSA-N 1 2 368.821 0.843 10 5 FCBELO O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001506049285 1264288876 /nfs/dbraw/zinc/28/88/76/1264288876.db2.gz WRZAUQWLSBVOGG-TZMCWYRMSA-N 1 2 370.369 0.311 10 5 FCBELO Cn1cc(C[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001325689238 1264969005 /nfs/dbraw/zinc/96/90/05/1264969005.db2.gz HICCMMCNXKQLRK-HZPDHXFCSA-N 1 2 358.402 0.599 10 5 FCBELO CS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001543161590 1267528328 /nfs/dbraw/zinc/52/83/28/1267528328.db2.gz QHSNFEIZOPLOSP-UHFFFAOYSA-N 1 2 353.360 0.060 10 5 FCBELO CNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001556242360 1268837370 /nfs/dbraw/zinc/83/73/70/1268837370.db2.gz CAEGKZVANSHFHA-UHFFFAOYSA-N 1 2 353.360 0.060 10 5 FCBELO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557590836 1268956272 /nfs/dbraw/zinc/95/62/72/1268956272.db2.gz JUHPZCZVXAKQAE-UHFFFAOYSA-N 1 2 351.359 0.539 10 5 FCBELO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557590836 1268956277 /nfs/dbraw/zinc/95/62/77/1268956277.db2.gz JUHPZCZVXAKQAE-UHFFFAOYSA-N 1 2 351.359 0.539 10 5 FCBELO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001558163970 1269039060 /nfs/dbraw/zinc/03/90/60/1269039060.db2.gz OSACUHLRSAKAKC-NSHDSACASA-N 1 2 365.321 0.553 10 5 FCBELO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001558163970 1269039065 /nfs/dbraw/zinc/03/90/65/1269039065.db2.gz OSACUHLRSAKAKC-NSHDSACASA-N 1 2 365.321 0.553 10 5 FCBELO Cc1nnc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001566639706 1269653200 /nfs/dbraw/zinc/65/32/00/1269653200.db2.gz CQNXJOBWCPVSSW-CHWSQXEVSA-N 1 2 368.463 0.136 10 5 FCBELO CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001573142677 1270614737 /nfs/dbraw/zinc/61/47/37/1270614737.db2.gz WQRDRQNDEWJEIT-XJFOESAGSA-N 1 2 363.418 0.683 10 5 FCBELO Cc1occc1C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001577824187 1274933402 /nfs/dbraw/zinc/93/34/02/1274933402.db2.gz MMGMCXFWUGHKQO-HUUCEWRRSA-N 1 2 364.402 0.517 10 5 FCBELO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)n1cc([N+](=O)[O-])cn1 ZINC001636992556 1282550729 /nfs/dbraw/zinc/55/07/29/1282550729.db2.gz JMIGRCKLVDJIOX-CYBMUJFWSA-N 1 2 365.390 0.423 10 5 FCBELO Cc1occc1C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001720674207 1288249543 /nfs/dbraw/zinc/24/95/43/1288249543.db2.gz SLSWNFDKLURHAI-HUUCEWRRSA-N 1 2 364.402 0.517 10 5 FCBELO Cc1nccnc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001731358436 1288553664 /nfs/dbraw/zinc/55/36/64/1288553664.db2.gz VICZLCRLBCUTHF-GDBMZVCRSA-N 1 2 362.434 0.074 10 5 FCBELO Cc1cc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001733913253 1288635070 /nfs/dbraw/zinc/63/50/70/1288635070.db2.gz NLDSNZGPMXVEKM-CHWSQXEVSA-N 1 2 354.432 0.560 10 5 FCBELO Cc1nc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sc1C ZINC001733913643 1288635140 /nfs/dbraw/zinc/63/51/40/1288635140.db2.gz UWVWQCFXUBKECC-CHWSQXEVSA-N 1 2 368.459 0.868 10 5 FCBELO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 ZINC001624483331 1290274789 /nfs/dbraw/zinc/27/47/89/1290274789.db2.gz RRHVDLKXJGRPKU-OAHLLOKOSA-N 1 2 374.401 0.512 10 5 FCBELO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 ZINC001624483331 1290274795 /nfs/dbraw/zinc/27/47/95/1290274795.db2.gz RRHVDLKXJGRPKU-OAHLLOKOSA-N 1 2 374.401 0.512 10 5 FCBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(=O)NCC12COC2 ZINC001625083631 1290317401 /nfs/dbraw/zinc/31/74/01/1290317401.db2.gz AXQLDPLXLNBBRY-UHFFFAOYSA-N 1 2 371.353 0.512 10 5 FCBELO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001631261446 1290722988 /nfs/dbraw/zinc/72/29/88/1290722988.db2.gz FMKAUFRUVSAJFP-CYBMUJFWSA-N 1 2 366.349 0.826 10 5 FCBELO CC(C)(O)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001643253344 1290865794 /nfs/dbraw/zinc/86/57/94/1290865794.db2.gz GNRQWRVOUZIIBK-CYBMUJFWSA-N 1 2 351.403 0.875 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001645062293 1291001969 /nfs/dbraw/zinc/00/19/69/1291001969.db2.gz SRJVFXRIICXKNL-JKSUJKDBSA-N 1 2 360.414 0.979 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001645062293 1291001978 /nfs/dbraw/zinc/00/19/78/1291001978.db2.gz SRJVFXRIICXKNL-JKSUJKDBSA-N 1 2 360.414 0.979 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001654974971 1291448332 /nfs/dbraw/zinc/44/83/32/1291448332.db2.gz LWHANGPLWLXMBE-GHMZBOCLSA-N 1 2 356.404 0.532 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001654974971 1291448338 /nfs/dbraw/zinc/44/83/38/1291448338.db2.gz LWHANGPLWLXMBE-GHMZBOCLSA-N 1 2 356.404 0.532 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001656342886 1291511091 /nfs/dbraw/zinc/51/10/91/1291511091.db2.gz CSOKKVJFMQUSID-QWRGUYRKSA-N 1 2 356.404 0.532 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001656342886 1291511094 /nfs/dbraw/zinc/51/10/94/1291511094.db2.gz CSOKKVJFMQUSID-QWRGUYRKSA-N 1 2 356.404 0.532 10 5 FCBELO CCN(CC[NH2+]Cc1ncnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426058 1291963761 /nfs/dbraw/zinc/96/37/61/1291963761.db2.gz AALIKQCCCJOTRN-HUUCEWRRSA-N 1 2 358.402 0.871 10 5 FCBELO Cc1nnc(C[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001672388572 1292078859 /nfs/dbraw/zinc/07/88/59/1292078859.db2.gz LHBRFUDEGBMXSO-HUUCEWRRSA-N 1 2 358.402 0.897 10 5 FCBELO CCOc1cc(C[N@@H+]2CCN3CCOC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC001198165982 853224162 /nfs/dbraw/zinc/22/41/62/853224162.db2.gz XFZWEBXHRHUFDU-QGZVFWFLSA-N 1 2 351.403 0.872 10 5 FCBELO CCOc1cc(C[N@H+]2CCN3CCOC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC001198165982 853224172 /nfs/dbraw/zinc/22/41/72/853224172.db2.gz XFZWEBXHRHUFDU-QGZVFWFLSA-N 1 2 351.403 0.872 10 5 FCBELO Cc1ncc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001265243152 859454635 /nfs/dbraw/zinc/45/46/35/859454635.db2.gz HGGDLHNEGTYUAQ-HUUCEWRRSA-N 1 2 351.407 0.272 10 5 FCBELO Cc1cn(C(C)(C)C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c[nH+]1 ZINC001283578961 864507683 /nfs/dbraw/zinc/50/76/83/864507683.db2.gz QDRZIUSBUWEVMQ-CHWSQXEVSA-N 1 2 351.407 0.557 10 5 FCBELO CN(CC1CCCCC1)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317447751 867532136 /nfs/dbraw/zinc/53/21/36/867532136.db2.gz GKMQUFKMUYBWRQ-HUUCEWRRSA-N 1 2 354.451 0.738 10 5 FCBELO CN(CC1CCCCC1)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317447751 867532154 /nfs/dbraw/zinc/53/21/54/867532154.db2.gz GKMQUFKMUYBWRQ-HUUCEWRRSA-N 1 2 354.451 0.738 10 5 FCBELO Cc1csc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001323437263 869193402 /nfs/dbraw/zinc/19/34/02/869193402.db2.gz FZKIFVBOCMUMHR-NXEZZACHSA-N 1 2 353.404 0.294 10 5 FCBELO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295420429 214295984 /nfs/dbraw/zinc/29/59/84/214295984.db2.gz NJUGELKMBMGGAA-UAGQMJEPSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295420429 214295986 /nfs/dbraw/zinc/29/59/86/214295986.db2.gz NJUGELKMBMGGAA-UAGQMJEPSA-N 1 2 351.403 0.739 10 5 FCBELO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301844462 214761929 /nfs/dbraw/zinc/76/19/29/214761929.db2.gz SGXNRLQAQKIAEZ-LBPRGKRZSA-N 1 2 361.406 0.674 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000275901562 212115359 /nfs/dbraw/zinc/11/53/59/212115359.db2.gz PTUGOSAGDSDGLN-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000275901562 212115362 /nfs/dbraw/zinc/11/53/62/212115362.db2.gz PTUGOSAGDSDGLN-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000184514345 209163178 /nfs/dbraw/zinc/16/31/78/209163178.db2.gz FMKQJITWDFZVKY-AWEZNQCLSA-N 1 2 355.416 0.877 10 5 FCBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000184514345 209163182 /nfs/dbraw/zinc/16/31/82/209163182.db2.gz FMKQJITWDFZVKY-AWEZNQCLSA-N 1 2 355.416 0.877 10 5 FCBELO Cc1cc(OCC(=O)N[C@H](CO)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000425292928 247317081 /nfs/dbraw/zinc/31/70/81/247317081.db2.gz JJLCJNDUCAQWDD-ZDUSSCGKSA-N 1 2 353.375 0.091 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000443771018 248339360 /nfs/dbraw/zinc/33/93/60/248339360.db2.gz BTDBVQBMEHRLRB-UHFFFAOYSA-N 1 2 365.415 0.966 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000123273296 208434554 /nfs/dbraw/zinc/43/45/54/208434554.db2.gz COJXXBQVBHSTKU-NSHDSACASA-N 1 2 361.395 0.811 10 5 FCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000189334225 533301427 /nfs/dbraw/zinc/30/14/27/533301427.db2.gz KIKTVAGHQXJDKI-FRRDWIJNSA-N 1 2 352.351 0.306 10 5 FCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000189334225 533301432 /nfs/dbraw/zinc/30/14/32/533301432.db2.gz KIKTVAGHQXJDKI-FRRDWIJNSA-N 1 2 352.351 0.306 10 5 FCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000189334200 533302964 /nfs/dbraw/zinc/30/29/64/533302964.db2.gz KIKTVAGHQXJDKI-RWMBFGLXSA-N 1 2 352.351 0.306 10 5 FCBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000189334200 533302974 /nfs/dbraw/zinc/30/29/74/533302974.db2.gz KIKTVAGHQXJDKI-RWMBFGLXSA-N 1 2 352.351 0.306 10 5 FCBELO COc1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])cc1F ZINC000279063674 488914620 /nfs/dbraw/zinc/91/46/20/488914620.db2.gz LXAMNOSVXGETBC-OAHLLOKOSA-N 1 2 352.322 0.917 10 5 FCBELO COc1cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])cc1F ZINC000279063674 488914622 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361.445 0.999 10 5 FCBELO Cc1noc([C@@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000131839325 488648597 /nfs/dbraw/zinc/64/85/97/488648597.db2.gz FWURKSCWSJIWGL-GFCCVEGCSA-N 1 2 362.390 0.827 10 5 FCBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)nc[nH+]1 ZINC000173436466 488842705 /nfs/dbraw/zinc/84/27/05/488842705.db2.gz NVNOYHXBTBKVLX-NSHDSACASA-N 1 2 374.405 0.867 10 5 FCBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)[nH+]cn1 ZINC000173436466 488842706 /nfs/dbraw/zinc/84/27/06/488842706.db2.gz NVNOYHXBTBKVLX-NSHDSACASA-N 1 2 374.405 0.867 10 5 FCBELO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452103998 489546962 /nfs/dbraw/zinc/54/69/62/489546962.db2.gz LLOVNRMTKHKACR-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452103998 489546964 /nfs/dbraw/zinc/54/69/64/489546964.db2.gz LLOVNRMTKHKACR-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1C ZINC000452112354 489547370 /nfs/dbraw/zinc/54/73/70/489547370.db2.gz XENGKGMUCJPLCV-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c1C ZINC000452112354 489547374 /nfs/dbraw/zinc/54/73/74/489547374.db2.gz XENGKGMUCJPLCV-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416672688 489625923 /nfs/dbraw/zinc/62/59/23/489625923.db2.gz ZDKPTTZRMVAYSB-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416672688 489625924 /nfs/dbraw/zinc/62/59/24/489625924.db2.gz ZDKPTTZRMVAYSB-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCc3cn[nH]c3)CC2)cc1 ZINC000459300106 489726067 /nfs/dbraw/zinc/72/60/67/489726067.db2.gz UPRKQUGIDNHYAI-UHFFFAOYSA-N 1 2 365.415 0.867 10 5 FCBELO COCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCOC1 ZINC000490061392 489742890 /nfs/dbraw/zinc/74/28/90/489742890.db2.gz XZVNWZPRSRYUEK-NSHDSACASA-N 1 2 367.358 0.999 10 5 FCBELO COCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCOC1 ZINC000490061392 489742893 /nfs/dbraw/zinc/74/28/93/489742893.db2.gz XZVNWZPRSRYUEK-NSHDSACASA-N 1 2 367.358 0.999 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000494325239 489883042 /nfs/dbraw/zinc/88/30/42/489883042.db2.gz BZRUQFFMFKUGRQ-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000494325239 489883049 /nfs/dbraw/zinc/88/30/49/489883049.db2.gz BZRUQFFMFKUGRQ-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000521060546 490219942 /nfs/dbraw/zinc/21/99/42/490219942.db2.gz XDIOKEKCYYTUDA-UHFFFAOYSA-N 1 2 350.375 0.537 10 5 FCBELO CC1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000408263987 490290702 /nfs/dbraw/zinc/29/07/02/490290702.db2.gz 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FCBELO CN(C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000512275974 490670618 /nfs/dbraw/zinc/67/06/18/490670618.db2.gz BDIBPWDIOTZECU-CYBMUJFWSA-N 1 2 356.404 0.311 10 5 FCBELO CN(C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000512275974 490670622 /nfs/dbraw/zinc/67/06/22/490670622.db2.gz BDIBPWDIOTZECU-CYBMUJFWSA-N 1 2 356.404 0.311 10 5 FCBELO COC(=O)CN(CC[NH+]1CCOCC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000542864623 490912810 /nfs/dbraw/zinc/91/28/10/490912810.db2.gz HHBXUIBGZMWPJM-UHFFFAOYSA-N 1 2 352.391 0.918 10 5 FCBELO COc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000580864196 491749404 /nfs/dbraw/zinc/74/94/04/491749404.db2.gz HLRKLBZQHBGGCG-VIFPVBQESA-N 1 2 359.342 0.939 10 5 FCBELO COc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000580864196 491749406 /nfs/dbraw/zinc/74/94/06/491749406.db2.gz HLRKLBZQHBGGCG-VIFPVBQESA-N 1 2 359.342 0.939 10 5 FCBELO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000590587290 491779950 /nfs/dbraw/zinc/77/99/50/491779950.db2.gz BJZANXIUIXBZED-UHFFFAOYSA-N 1 2 369.443 0.731 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590587267 491780149 /nfs/dbraw/zinc/78/01/49/491780149.db2.gz AGEDLHFFSHQGFN-UHFFFAOYSA-N 1 2 355.416 0.856 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c(F)c1 ZINC000601418595 491916909 /nfs/dbraw/zinc/91/69/09/491916909.db2.gz WSLPYFZVVMEPDU-UHFFFAOYSA-N 1 2 359.379 0.687 10 5 FCBELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815561 491955331 /nfs/dbraw/zinc/95/53/31/491955331.db2.gz GNJSDJJUXVCHMZ-RHSMWYFYSA-N 1 2 368.386 0.989 10 5 FCBELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815561 491955332 /nfs/dbraw/zinc/95/53/32/491955332.db2.gz GNJSDJJUXVCHMZ-RHSMWYFYSA-N 1 2 368.386 0.989 10 5 FCBELO Nc1nc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596516563 491988302 /nfs/dbraw/zinc/98/83/02/491988302.db2.gz 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O=[N+]([O-])c1c(NC2CC([NH+]3CCOCC3)C2)ncnc1N1CCOCC1 ZINC000599094786 492134751 /nfs/dbraw/zinc/13/47/51/492134751.db2.gz NIIMXGZPEKDOGJ-UHFFFAOYSA-N 1 2 364.406 0.497 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599132035 492137776 /nfs/dbraw/zinc/13/77/76/492137776.db2.gz VVBPOIJMQVXJDG-QGZVFWFLSA-N 1 2 364.402 0.721 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599132035 492137778 /nfs/dbraw/zinc/13/77/78/492137778.db2.gz VVBPOIJMQVXJDG-QGZVFWFLSA-N 1 2 364.402 0.721 10 5 FCBELO NS(=O)(=O)NC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599175359 492139689 /nfs/dbraw/zinc/13/96/89/492139689.db2.gz IHSYZHHTVURWER-UHFFFAOYSA-N 1 2 351.388 0.905 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000599211544 492142643 /nfs/dbraw/zinc/14/26/43/492142643.db2.gz WITUHVATTGJMAW-UHFFFAOYSA-N 1 2 365.415 0.665 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000599211544 492142646 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VGAURZCQIWPZCY-QGZVFWFLSA-N 1 2 364.402 0.523 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600232156 492252017 /nfs/dbraw/zinc/25/20/17/492252017.db2.gz NZSFOBAIIJBQCK-INIZCTEOSA-N 1 2 366.374 0.041 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600232156 492252019 /nfs/dbraw/zinc/25/20/19/492252019.db2.gz NZSFOBAIIJBQCK-INIZCTEOSA-N 1 2 366.374 0.041 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600233481 492252432 /nfs/dbraw/zinc/25/24/32/492252432.db2.gz ZPBDZQZAYNTANU-KRWDZBQOSA-N 1 2 365.386 0.646 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600233481 492252435 /nfs/dbraw/zinc/25/24/35/492252435.db2.gz ZPBDZQZAYNTANU-KRWDZBQOSA-N 1 2 365.386 0.646 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600420186 492268489 /nfs/dbraw/zinc/26/84/89/492268489.db2.gz NKXKHKCMOVCRGS-ZDUSSCGKSA-N 1 2 351.363 0.163 10 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000593591224 546981184 /nfs/dbraw/zinc/98/11/84/546981184.db2.gz GQJDSYJOXIBHNY-ZDUSSCGKSA-N 1 2 370.431 0.723 10 5 FCBELO CC(C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000594761398 547006095 /nfs/dbraw/zinc/00/60/95/547006095.db2.gz YCPNUHLJZJOKST-CQSZACIVSA-N 1 2 371.463 0.540 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000594770478 547006907 /nfs/dbraw/zinc/00/69/07/547006907.db2.gz IHSXATXDVKFUNG-LLVKDONJSA-N 1 2 358.420 0.456 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000594770478 547006910 /nfs/dbraw/zinc/00/69/10/547006910.db2.gz IHSXATXDVKFUNG-LLVKDONJSA-N 1 2 358.420 0.456 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000594764802 547006935 /nfs/dbraw/zinc/00/69/35/547006935.db2.gz SHKJNTJULYNECW-QWHCGFSZSA-N 1 2 370.431 0.912 10 5 FCBELO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594781647 547010569 /nfs/dbraw/zinc/01/05/69/547010569.db2.gz WLYFNWPEKVLFKP-UHFFFAOYSA-N 1 2 366.403 0.671 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Cl)c1 ZINC000917044711 667045819 /nfs/dbraw/zinc/04/58/19/667045819.db2.gz KWZFVLOLGAVUMG-LBPRGKRZSA-N 1 2 374.850 0.916 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(Cl)c1 ZINC000917044711 667045825 /nfs/dbraw/zinc/04/58/25/667045825.db2.gz KWZFVLOLGAVUMG-LBPRGKRZSA-N 1 2 374.850 0.916 10 5 FCBELO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000804443557 669381262 /nfs/dbraw/zinc/38/12/62/669381262.db2.gz GPGDOJBXJDHLTE-UHFFFAOYSA-N 1 2 372.447 0.590 10 5 FCBELO Cc1ccc(CN(C)C(=O)C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001481624467 1186597564 /nfs/dbraw/zinc/59/75/64/1186597564.db2.gz YQMPFAARNANROM-HUUCEWRRSA-N 1 2 364.402 0.260 10 5 FCBELO O=C(NCC1([NH2+]Cc2nnc(C3CC3)n2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411269 1187847267 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/nfs/dbraw/zinc/83/66/59/1262836659.db2.gz MJVWMPRQFLVBMT-GFCCVEGCSA-N 1 2 365.386 0.895 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@H+]1CCO ZINC001296779072 1262836665 /nfs/dbraw/zinc/83/66/65/1262836665.db2.gz MJVWMPRQFLVBMT-GFCCVEGCSA-N 1 2 365.386 0.895 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001493131784 1263703164 /nfs/dbraw/zinc/70/31/64/1263703164.db2.gz LLXSJXXVVRDFRH-LYYZXLFJSA-N 1 2 364.446 0.348 10 5 FCBELO CN(C)c1noc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001495517208 1263821192 /nfs/dbraw/zinc/82/11/92/1263821192.db2.gz KBKUSVKUQMOBOD-CHWSQXEVSA-N 1 2 366.422 0.519 10 5 FCBELO Cc1c[nH+]cn1CC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001531842819 1267152261 /nfs/dbraw/zinc/15/22/61/1267152261.db2.gz FFJRHIYKXMCEOE-HUUCEWRRSA-N 1 2 363.418 0.602 10 5 FCBELO CS(=O)(=O)c1cc(C(=O)N[C@@]23CC[N@H+](C2)CCC3)cc([N+](=O)[O-])c1 ZINC001544822802 1267593656 /nfs/dbraw/zinc/59/36/56/1267593656.db2.gz CUXZMSYVTGDJHJ-HNNXBMFYSA-N 1 2 353.400 0.966 10 5 FCBELO CS(=O)(=O)c1cc(C(=O)N[C@@]23CC[N@@H+](C2)CCC3)cc([N+](=O)[O-])c1 ZINC001544822802 1267593663 /nfs/dbraw/zinc/59/36/63/1267593663.db2.gz CUXZMSYVTGDJHJ-HNNXBMFYSA-N 1 2 353.400 0.966 10 5 FCBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001560125506 1269190032 /nfs/dbraw/zinc/19/00/32/1269190032.db2.gz CMSQEZCSPXCXNM-NEPJUHHUSA-N 1 2 370.431 0.793 10 5 FCBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001560125506 1269190034 /nfs/dbraw/zinc/19/00/34/1269190034.db2.gz CMSQEZCSPXCXNM-NEPJUHHUSA-N 1 2 370.431 0.793 10 5 FCBELO O=C(CCn1cc[nH+]c1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571907270 1269980682 /nfs/dbraw/zinc/98/06/82/1269980682.db2.gz ZYRAPKNFMJZKMG-ZIAGYGMSSA-N 1 2 363.418 0.874 10 5 FCBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC001713484793 1287281498 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/nfs/dbraw/zinc/45/28/36/1287452836.db2.gz KJBLLXCHHSHCII-ZIAGYGMSSA-N 1 2 359.448 0.225 10 5 FCBELO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001632843498 1282212382 /nfs/dbraw/zinc/21/23/82/1282212382.db2.gz VRWPPWGQNYTFDP-UHFFFAOYSA-N 1 2 359.390 0.358 10 5 FCBELO COc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])cc1F ZINC001633489674 1282247279 /nfs/dbraw/zinc/24/72/79/1282247279.db2.gz ZWVINJDIGDIABM-UHFFFAOYSA-N 1 2 369.349 0.921 10 5 FCBELO COc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])cc1F ZINC001633489674 1282247285 /nfs/dbraw/zinc/24/72/85/1282247285.db2.gz ZWVINJDIGDIABM-UHFFFAOYSA-N 1 2 369.349 0.921 10 5 FCBELO CC(C)c1[nH+]ccn1CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001703583348 1286120238 /nfs/dbraw/zinc/12/02/38/1286120238.db2.gz MNGIRNPOBIEYRZ-CHWSQXEVSA-N 1 2 351.407 0.636 10 5 FCBELO O=C(C=C1CCC1)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001720673814 1288250523 /nfs/dbraw/zinc/25/05/23/1288250523.db2.gz CDPQIFNTWNWDJH-HUUCEWRRSA-N 1 2 350.419 0.412 10 5 FCBELO O=C(NCC1([NH2+]Cc2nncn2-c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001723514854 1288425107 /nfs/dbraw/zinc/42/51/07/1288425107.db2.gz LOHJRALRGJAEDW-ZIAGYGMSSA-N 1 2 356.386 0.671 10 5 FCBELO CCN(C)C(=O)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733677781 1288624850 /nfs/dbraw/zinc/62/48/50/1288624850.db2.gz SIQLEBKDMKCFBW-HZPDHXFCSA-N 1 2 362.430 0.878 10 5 FCBELO CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733677781 1288624853 /nfs/dbraw/zinc/62/48/53/1288624853.db2.gz SIQLEBKDMKCFBW-HZPDHXFCSA-N 1 2 362.430 0.878 10 5 FCBELO CCc1nocc1C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733913349 1288634955 /nfs/dbraw/zinc/63/49/55/1288634955.db2.gz OZDUBPLBEWTWLS-TZMCWYRMSA-N 1 2 352.391 0.345 10 5 FCBELO O=C(C[N@@H+]1CCc2sccc2C1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001736928608 1289496679 /nfs/dbraw/zinc/49/66/79/1289496679.db2.gz VIRKKLVDDKFLGU-CHWSQXEVSA-N 1 2 366.443 0.394 10 5 FCBELO O=C(C[N@H+]1CCc2sccc2C1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001736928608 1289496683 /nfs/dbraw/zinc/49/66/83/1289496683.db2.gz VIRKKLVDDKFLGU-CHWSQXEVSA-N 1 2 366.443 0.394 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737331670 1289530342 /nfs/dbraw/zinc/53/03/42/1289530342.db2.gz XQRKFZOEVGKIFP-HUUCEWRRSA-N 1 2 352.435 0.492 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001654974972 1291448526 /nfs/dbraw/zinc/44/85/26/1291448526.db2.gz LWHANGPLWLXMBE-MNOVXSKESA-N 1 2 356.404 0.532 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001654974972 1291448530 /nfs/dbraw/zinc/44/85/30/1291448530.db2.gz LWHANGPLWLXMBE-MNOVXSKESA-N 1 2 356.404 0.532 10 5 FCBELO CCN(CC[NH2+]Cc1nnc(C2CCC2)n1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426086 1291963590 /nfs/dbraw/zinc/96/35/90/1291963590.db2.gz BNWIVWQQRFECPD-CHWSQXEVSA-N 1 2 350.423 0.686 10 5 FCBELO O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001141438336 849396905 /nfs/dbraw/zinc/39/69/05/849396905.db2.gz YNRCENSWGUHRBE-NSHDSACASA-N 1 2 364.383 0.945 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001141653429 849403636 /nfs/dbraw/zinc/40/36/36/849403636.db2.gz BJWCQVMRRTWRRR-LBPRGKRZSA-N 1 2 371.415 0.185 10 5 FCBELO CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175956232 850778874 /nfs/dbraw/zinc/77/88/74/850778874.db2.gz RJKVJLVMERXPPO-SNVBAGLBSA-N 1 2 358.376 0.874 10 5 FCBELO CS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175956232 850778877 /nfs/dbraw/zinc/77/88/77/850778877.db2.gz RJKVJLVMERXPPO-SNVBAGLBSA-N 1 2 358.376 0.874 10 5 FCBELO COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC001184024058 851284263 /nfs/dbraw/zinc/28/42/63/851284263.db2.gz ZUICHEGEZHCKOX-UHFFFAOYSA-N 1 2 354.363 0.116 10 5 FCBELO CCN1CC[NH+](CC(C)(C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001186731585 851461756 /nfs/dbraw/zinc/46/17/56/851461756.db2.gz TUXDFUJTGLQRKC-UHFFFAOYSA-N 1 2 350.423 0.917 10 5 FCBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C1CCCCC1 ZINC001267241280 859502831 /nfs/dbraw/zinc/50/28/31/859502831.db2.gz QTLNEFHYZAGGIW-HUUCEWRRSA-N 1 2 354.451 0.881 10 5 FCBELO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C1CCCCC1 ZINC001267241280 859502836 /nfs/dbraw/zinc/50/28/36/859502836.db2.gz QTLNEFHYZAGGIW-HUUCEWRRSA-N 1 2 354.451 0.881 10 5 FCBELO Cc1nc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)o1 ZINC001281809655 863761122 /nfs/dbraw/zinc/76/11/22/863761122.db2.gz JQDLAMDSINHFGA-TZMCWYRMSA-N 1 2 352.391 0.400 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001302303867 866320008 /nfs/dbraw/zinc/32/00/08/866320008.db2.gz NGMZSZIISHSPAZ-MEDUHNTESA-N 1 2 351.359 0.357 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001302303867 866320026 /nfs/dbraw/zinc/32/00/26/866320026.db2.gz NGMZSZIISHSPAZ-MEDUHNTESA-N 1 2 351.359 0.357 10 5 FCBELO CCC(CC)NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001333337994 873914326 /nfs/dbraw/zinc/91/43/26/873914326.db2.gz WYYQXBUENDICJR-HUUCEWRRSA-N 1 2 352.435 0.705 10 5 FCBELO CCC(CC)NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001333337994 873914340 /nfs/dbraw/zinc/91/43/40/873914340.db2.gz WYYQXBUENDICJR-HUUCEWRRSA-N 1 2 352.435 0.705 10 5 FCBELO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265400027 210122286 /nfs/dbraw/zinc/12/22/86/210122286.db2.gz IDUDQMIINLKJQC-UHFFFAOYSA-N 1 2 368.415 0.471 10 5 FCBELO Cn1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1N ZINC000284309250 213108633 /nfs/dbraw/zinc/10/86/33/213108633.db2.gz PAVWYSRDLQNDNZ-AAEUAGOBSA-N 1 2 362.390 0.882 10 5 FCBELO Cn1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1N ZINC000284309250 213108635 /nfs/dbraw/zinc/10/86/35/213108635.db2.gz PAVWYSRDLQNDNZ-AAEUAGOBSA-N 1 2 362.390 0.882 10 5 FCBELO COC(=O)c1cc(C)nc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000283734952 213000478 /nfs/dbraw/zinc/00/04/78/213000478.db2.gz IGHBKUUMDQUSME-LBPRGKRZSA-N 1 2 368.390 0.214 10 5 FCBELO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000195340727 209336636 /nfs/dbraw/zinc/33/66/36/209336636.db2.gz YOXUEMREWWTCLC-UHFFFAOYSA-N 1 2 354.326 0.654 10 5 FCBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000184514324 209162914 /nfs/dbraw/zinc/16/29/14/209162914.db2.gz FMKQJITWDFZVKY-CQSZACIVSA-N 1 2 355.416 0.877 10 5 FCBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000184514324 209162920 /nfs/dbraw/zinc/16/29/20/209162920.db2.gz FMKQJITWDFZVKY-CQSZACIVSA-N 1 2 355.416 0.877 10 5 FCBELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000181690948 209120640 /nfs/dbraw/zinc/12/06/40/209120640.db2.gz OTDIYLJIDDUIGG-CYBMUJFWSA-N 1 2 369.378 0.803 10 5 FCBELO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000176997101 209014347 /nfs/dbraw/zinc/01/43/47/209014347.db2.gz XTQGQFNIFJUVIL-WFASDCNBSA-N 1 2 355.416 0.936 10 5 FCBELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000178960230 209068176 /nfs/dbraw/zinc/06/81/76/209068176.db2.gz WVARDFUIWDVEQK-LLVKDONJSA-N 1 2 367.793 0.303 10 5 FCBELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301199833 488877256 /nfs/dbraw/zinc/87/72/56/488877256.db2.gz OXWNPUUNWGLMJO-NSHDSACASA-N 1 2 363.422 0.536 10 5 FCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057061599 488265560 /nfs/dbraw/zinc/26/55/60/488265560.db2.gz YSBMKXYKRSAMJI-UHFFFAOYSA-N 1 2 371.401 0.640 10 5 FCBELO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271474844 488521937 /nfs/dbraw/zinc/52/19/37/488521937.db2.gz ZHJBGVJTFCVYOU-UHFFFAOYSA-N 1 2 366.422 0.345 10 5 FCBELO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 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OEAMTSSUVWDIBH-CABCVRRESA-N 1 2 362.386 0.932 10 5 FCBELO O=C(C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289389534 489063833 /nfs/dbraw/zinc/06/38/33/489063833.db2.gz JXLZYTTVEMSJEH-LBPRGKRZSA-N 1 2 372.385 0.775 10 5 FCBELO O=C(C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289389534 489063838 /nfs/dbraw/zinc/06/38/38/489063838.db2.gz JXLZYTTVEMSJEH-LBPRGKRZSA-N 1 2 372.385 0.775 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289597688 489080741 /nfs/dbraw/zinc/08/07/41/489080741.db2.gz QCCOKYMBBZWDEY-UHFFFAOYSA-N 1 2 366.355 0.782 10 5 FCBELO O=C1[C@@H]([N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000370706109 489391459 /nfs/dbraw/zinc/39/14/59/489391459.db2.gz LIKABVRWWFCPHY-QLFBSQMISA-N 1 2 360.370 0.289 10 5 FCBELO O=C1[C@@H]([N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000370706109 489391461 /nfs/dbraw/zinc/39/14/61/489391461.db2.gz 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O=C(NC1(CCO)C[NH+](CCOC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276050470 1211339864 /nfs/dbraw/zinc/33/98/64/1211339864.db2.gz CRXISAZUARDBBO-HZPDHXFCSA-N 1 2 369.462 0.944 10 5 FCBELO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001137736751 1259378260 /nfs/dbraw/zinc/37/82/60/1259378260.db2.gz BKFJXAVPLRDEJS-OAHLLOKOSA-N 1 2 363.370 0.870 10 5 FCBELO CCc1[nH]c(CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c[nH+]1 ZINC001472019101 1261426152 /nfs/dbraw/zinc/42/61/52/1261426152.db2.gz SVRIZJGADKQPBF-UHFFFAOYSA-N 1 2 361.358 0.935 10 5 FCBELO CCc1[nH]cc(CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH+]1 ZINC001472019101 1261426157 /nfs/dbraw/zinc/42/61/57/1261426157.db2.gz SVRIZJGADKQPBF-UHFFFAOYSA-N 1 2 361.358 0.935 10 5 FCBELO Cc1cc(NC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001502193318 1264162324 /nfs/dbraw/zinc/16/23/24/1264162324.db2.gz YTDKOABDCYXGPB-VXGBXAGGSA-N 1 2 353.379 0.367 10 5 FCBELO 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O=C(NCCN1CC[NH+](CCc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713805477 1287299812 /nfs/dbraw/zinc/29/98/12/1287299812.db2.gz IQMIULSZROSEES-NVXWUHKLSA-N 1 2 364.421 0.767 10 5 FCBELO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001713853067 1287303425 /nfs/dbraw/zinc/30/34/25/1287303425.db2.gz KLBMSOHRVTWDIB-HUUCEWRRSA-N 1 2 350.423 0.683 10 5 FCBELO CCn1nc(C)c(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001714326415 1287319122 /nfs/dbraw/zinc/31/91/22/1287319122.db2.gz UUJRQHQFSUXVPZ-GDBMZVCRSA-N 1 2 364.450 0.990 10 5 FCBELO COCc1noc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001715197813 1287346675 /nfs/dbraw/zinc/34/66/75/1287346675.db2.gz FUDZNBWTZMJNHN-CHWSQXEVSA-N 1 2 367.406 0.600 10 5 FCBELO CCC(C)(C)NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001718021010 1287452913 /nfs/dbraw/zinc/45/29/13/1287452913.db2.gz SJKYCCNUULTVHS-ZIAGYGMSSA-N 1 2 352.435 0.705 10 5 FCBELO 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0.882 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000368837150 216305534 /nfs/dbraw/zinc/30/55/34/216305534.db2.gz AIPZUZPEXSTTGV-UHFFFAOYSA-N 1 2 350.375 0.497 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000368837150 216305536 /nfs/dbraw/zinc/30/55/36/216305536.db2.gz AIPZUZPEXSTTGV-UHFFFAOYSA-N 1 2 350.375 0.497 10 5 FCBELO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000188727215 209237047 /nfs/dbraw/zinc/23/70/47/209237047.db2.gz FQYGQPGSLHHDQZ-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000188727215 209237050 /nfs/dbraw/zinc/23/70/50/209237050.db2.gz FQYGQPGSLHHDQZ-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181693118 209120191 /nfs/dbraw/zinc/12/01/91/209120191.db2.gz XAYFMPWIZVOIJR-HNNXBMFYSA-N 1 2 365.415 0.972 10 5 FCBELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 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ZINC000176230389 488857755 /nfs/dbraw/zinc/85/77/55/488857755.db2.gz WFNPPWJRLVBSAB-AWEZNQCLSA-N 1 2 364.450 0.856 10 5 FCBELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230389 488857756 /nfs/dbraw/zinc/85/77/56/488857756.db2.gz WFNPPWJRLVBSAB-AWEZNQCLSA-N 1 2 364.450 0.856 10 5 FCBELO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181756005 488863896 /nfs/dbraw/zinc/86/38/96/488863896.db2.gz GSTREGLLIFXANG-VXGBXAGGSA-N 1 2 355.416 0.954 10 5 FCBELO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181756005 488863897 /nfs/dbraw/zinc/86/38/97/488863897.db2.gz GSTREGLLIFXANG-VXGBXAGGSA-N 1 2 355.416 0.954 10 5 FCBELO CCOc1cc(N2CC[NH+](CC(=O)NC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000280330775 488998725 /nfs/dbraw/zinc/99/87/25/488998725.db2.gz ZSBPGROUFSZGJL-UHFFFAOYSA-N 1 2 351.363 0.310 10 5 FCBELO Cn1ncc2c1nc(N1CCN(c3ncccc3[N+](=O)[O-])CC1)[nH+]c2N ZINC000299113251 489407339 /nfs/dbraw/zinc/40/73/39/489407339.db2.gz XBNQUZYDGQCDHD-UHFFFAOYSA-N 1 2 355.362 0.575 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000451895809 489529563 /nfs/dbraw/zinc/52/95/63/489529563.db2.gz YQFSXJUIEYTFSS-BETUJISGSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000451895809 489529567 /nfs/dbraw/zinc/52/95/67/489529567.db2.gz YQFSXJUIEYTFSS-BETUJISGSA-N 1 2 357.432 0.812 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416661370 489623391 /nfs/dbraw/zinc/62/33/91/489623391.db2.gz JKNYWAGEEJZACY-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416661370 489623394 /nfs/dbraw/zinc/62/33/94/489623394.db2.gz JKNYWAGEEJZACY-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416669880 489625437 /nfs/dbraw/zinc/62/54/37/489625437.db2.gz SHDHEPOYIFHLGL-VXGBXAGGSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416669880 489625440 /nfs/dbraw/zinc/62/54/40/489625440.db2.gz SHDHEPOYIFHLGL-VXGBXAGGSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416671224 489625854 /nfs/dbraw/zinc/62/58/54/489625854.db2.gz VTBRMYMFPLSHMU-QWHCGFSZSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416671224 489625857 /nfs/dbraw/zinc/62/58/57/489625857.db2.gz VTBRMYMFPLSHMU-QWHCGFSZSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416671221 489626166 /nfs/dbraw/zinc/62/61/66/489626166.db2.gz VTBRMYMFPLSHMU-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416671221 489626167 /nfs/dbraw/zinc/62/61/67/489626167.db2.gz VTBRMYMFPLSHMU-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672613 489626208 /nfs/dbraw/zinc/62/62/08/489626208.db2.gz YXVIQKXWKJKZBP-OLZOCXBDSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672613 489626211 /nfs/dbraw/zinc/62/62/11/489626211.db2.gz YXVIQKXWKJKZBP-OLZOCXBDSA-N 1 2 357.432 0.979 10 5 FCBELO COC(=O)c1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428525166 489651829 /nfs/dbraw/zinc/65/18/29/489651829.db2.gz MGWRZFANRVEYEU-NSHDSACASA-N 1 2 351.359 0.520 10 5 FCBELO COC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428525166 489651831 /nfs/dbraw/zinc/65/18/31/489651831.db2.gz MGWRZFANRVEYEU-NSHDSACASA-N 1 2 351.359 0.520 10 5 FCBELO O=c1n(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)nc2ccccn21 ZINC000459498070 489734554 /nfs/dbraw/zinc/73/45/54/489734554.db2.gz UKDVOIGMNBHHSC-UHFFFAOYSA-N 1 2 369.385 0.621 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000533435591 490233437 /nfs/dbraw/zinc/23/34/37/490233437.db2.gz MBOUTZGEHYDUBY-ZYHUDNBSSA-N 1 2 356.404 0.545 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000533435591 490233440 /nfs/dbraw/zinc/23/34/40/490233440.db2.gz MBOUTZGEHYDUBY-ZYHUDNBSSA-N 1 2 356.404 0.545 10 5 FCBELO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000483286544 490302300 /nfs/dbraw/zinc/30/23/00/490302300.db2.gz RLGVJFDRTVLZEQ-SWLSCSKDSA-N 1 2 358.416 0.840 10 5 FCBELO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000483286544 490302305 /nfs/dbraw/zinc/30/23/05/490302305.db2.gz RLGVJFDRTVLZEQ-SWLSCSKDSA-N 1 2 358.416 0.840 10 5 FCBELO CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000508562070 490338916 /nfs/dbraw/zinc/33/89/16/490338916.db2.gz KANYQFDMVYBQRW-UHFFFAOYSA-N 1 2 373.417 0.648 10 5 FCBELO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2nn(C)cc2[N+](=O)[O-])cn1 ZINC000571648461 491320813 /nfs/dbraw/zinc/32/08/13/491320813.db2.gz REIMGVYBBZTSKX-UHFFFAOYSA-N 1 2 358.362 0.601 10 5 FCBELO Cc1c[nH+]c(C)nc1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000572179491 491354125 /nfs/dbraw/zinc/35/41/25/491354125.db2.gz XENZCTDLTWLKIZ-UHFFFAOYSA-N 1 2 351.388 1.392 10 5 FCBELO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000541935707 490879157 /nfs/dbraw/zinc/87/91/57/490879157.db2.gz BMGXBRJXMXDEMA-UHFFFAOYSA-N 1 2 363.418 0.587 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000584467564 491594553 /nfs/dbraw/zinc/59/45/53/491594553.db2.gz SYYSGXIZJMTLOA-LBPRGKRZSA-N 1 2 357.432 0.844 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000584467564 491594556 /nfs/dbraw/zinc/59/45/56/491594556.db2.gz SYYSGXIZJMTLOA-LBPRGKRZSA-N 1 2 357.432 0.844 10 5 FCBELO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587084074 491734789 /nfs/dbraw/zinc/73/47/89/491734789.db2.gz FPKICYXLQMNITQ-LLVKDONJSA-N 1 2 363.418 0.458 10 5 FCBELO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589505148 491762929 /nfs/dbraw/zinc/76/29/29/491762929.db2.gz CCSPPKXZUYQTFG-GFCCVEGCSA-N 1 2 357.388 0.505 10 5 FCBELO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589505148 491762930 /nfs/dbraw/zinc/76/29/30/491762930.db2.gz CCSPPKXZUYQTFG-GFCCVEGCSA-N 1 2 357.388 0.505 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590588793 491780220 /nfs/dbraw/zinc/78/02/20/491780220.db2.gz QUNGGUJGXOIREU-UHFFFAOYSA-N 1 2 369.443 0.731 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000600681506 491875417 /nfs/dbraw/zinc/87/54/17/491875417.db2.gz JJHKHOSKYAJMQA-AWEZNQCLSA-N 1 2 374.401 0.837 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000600681506 491875420 /nfs/dbraw/zinc/87/54/20/491875420.db2.gz JJHKHOSKYAJMQA-AWEZNQCLSA-N 1 2 374.401 0.837 10 5 FCBELO O=C(C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000595290336 491913744 /nfs/dbraw/zinc/91/37/44/491913744.db2.gz ZAAGIDSZUXZYMB-UHFFFAOYSA-N 1 2 366.393 0.710 10 5 FCBELO C[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000612469403 491922178 /nfs/dbraw/zinc/92/21/78/491922178.db2.gz IHOFDYKELUVAQJ-GFCCVEGCSA-N 1 2 370.431 0.762 10 5 FCBELO C[N@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000612469403 491922181 /nfs/dbraw/zinc/92/21/81/491922181.db2.gz IHOFDYKELUVAQJ-GFCCVEGCSA-N 1 2 370.431 0.762 10 5 FCBELO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370850 491925098 /nfs/dbraw/zinc/92/50/98/491925098.db2.gz JYDLAXHUTXWAGG-WCQYABFASA-N 1 2 366.374 0.971 10 5 FCBELO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370850 491925101 /nfs/dbraw/zinc/92/51/01/491925101.db2.gz JYDLAXHUTXWAGG-WCQYABFASA-N 1 2 366.374 0.971 10 5 FCBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(CO)(CO)C1 ZINC000596504877 491987939 /nfs/dbraw/zinc/98/79/39/491987939.db2.gz IHEPMUGNLXSSFV-UHFFFAOYSA-N 1 2 351.403 0.608 10 5 FCBELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598504781 492102143 /nfs/dbraw/zinc/10/21/43/492102143.db2.gz JFOMGRPVTCLGTB-OAHLLOKOSA-N 1 2 373.417 0.119 10 5 FCBELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598504781 492102145 /nfs/dbraw/zinc/10/21/45/492102145.db2.gz JFOMGRPVTCLGTB-OAHLLOKOSA-N 1 2 373.417 0.119 10 5 FCBELO NC(=O)c1ccc(SCC(=O)N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000598941919 492125912 /nfs/dbraw/zinc/12/59/12/492125912.db2.gz HUSDJGDQLLVZLI-JTQLQIEISA-N 1 2 361.383 0.723 10 5 FCBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000598948752 492126696 /nfs/dbraw/zinc/12/66/96/492126696.db2.gz UIJDMQNVRGAHKT-GFCCVEGCSA-N 1 2 357.370 0.983 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000599210781 492142546 /nfs/dbraw/zinc/14/25/46/492142546.db2.gz LDVJBCWOTUYOQX-JTQLQIEISA-N 1 2 359.433 0.971 10 5 FCBELO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599298068 492156682 /nfs/dbraw/zinc/15/66/82/492156682.db2.gz QCKDOSVIZBSDNU-UHFFFAOYSA-N 1 2 366.403 0.543 10 5 FCBELO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000599598083 492192366 /nfs/dbraw/zinc/19/23/66/492192366.db2.gz NVPAXCSYPBDGHN-ZLDLUXBVSA-N 1 2 354.359 0.597 10 5 FCBELO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000599598083 492192368 /nfs/dbraw/zinc/19/23/68/492192368.db2.gz NVPAXCSYPBDGHN-ZLDLUXBVSA-N 1 2 354.359 0.597 10 5 FCBELO Cn1c[nH+]c(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000618903850 492242852 /nfs/dbraw/zinc/24/28/52/492242852.db2.gz KTZGIZOVTRNTIR-UHFFFAOYSA-N 1 2 365.415 0.835 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000600232197 492251931 /nfs/dbraw/zinc/25/19/31/492251931.db2.gz PBHYZWGOTBZRMT-INIZCTEOSA-N 1 2 367.406 0.226 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000600232197 492251933 /nfs/dbraw/zinc/25/19/33/492251933.db2.gz PBHYZWGOTBZRMT-INIZCTEOSA-N 1 2 367.406 0.226 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420218 492268690 /nfs/dbraw/zinc/26/86/90/492268690.db2.gz KBBPZKWEFTZSPU-RYUDHWBXSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420218 492268691 /nfs/dbraw/zinc/26/86/91/492268691.db2.gz KBBPZKWEFTZSPU-RYUDHWBXSA-N 1 2 366.374 0.239 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)n1 ZINC000611537689 492289860 /nfs/dbraw/zinc/28/98/60/492289860.db2.gz TZRPLVLOPUPMKR-UHFFFAOYSA-N 1 2 372.385 0.968 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000593566670 546976944 /nfs/dbraw/zinc/97/69/44/546976944.db2.gz NWEIXHSSAIRBDN-KGLIPLIRSA-N 1 2 370.431 0.912 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1 ZINC000593571393 546977884 /nfs/dbraw/zinc/97/78/84/546977884.db2.gz HMXDSQOUBMEGFH-OLZOCXBDSA-N 1 2 356.404 0.210 10 5 FCBELO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000594760718 547005766 /nfs/dbraw/zinc/00/57/66/547005766.db2.gz WEAQYGSJEHWJGF-GFCCVEGCSA-N 1 2 357.436 0.152 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917056754 667049748 /nfs/dbraw/zinc/04/97/48/667049748.db2.gz ZMECTEHBGUOABI-AWEZNQCLSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917056754 667049753 /nfs/dbraw/zinc/04/97/53/667049753.db2.gz ZMECTEHBGUOABI-AWEZNQCLSA-N 1 2 368.459 0.880 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000859134717 671795692 /nfs/dbraw/zinc/79/56/92/671795692.db2.gz FRECFLRJDYEQOK-JTQLQIEISA-N 1 2 354.392 0.630 10 5 FCBELO Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001687333246 1170394132 /nfs/dbraw/zinc/39/41/32/1170394132.db2.gz HQLXWDZMZBDOMH-HNNXBMFYSA-N 1 2 366.418 0.738 10 5 FCBELO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001167680704 1180839855 /nfs/dbraw/zinc/83/98/55/1180839855.db2.gz KFSIWQSELWJSMV-INIZCTEOSA-N 1 2 367.402 0.377 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001745755265 1187504070 /nfs/dbraw/zinc/50/40/70/1187504070.db2.gz LDFPKYIMYUUHMC-UKRRQHHQSA-N 1 2 363.418 0.623 10 5 FCBELO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCC1CCCCC1 ZINC001268824286 1187784839 /nfs/dbraw/zinc/78/48/39/1187784839.db2.gz BMMCSMHFPVCYKD-HZPDHXFCSA-N 1 2 366.462 0.786 10 5 FCBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000857889198 1209767208 /nfs/dbraw/zinc/76/72/08/1209767208.db2.gz CMQMMNCCWZFWAO-GFCCVEGCSA-N 1 2 357.370 0.983 10 5 FCBELO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000800626766 1217991179 /nfs/dbraw/zinc/99/11/79/1217991179.db2.gz LQXHPJUHSWJOFT-SNVBAGLBSA-N 1 2 368.365 0.506 10 5 FCBELO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000800626766 1217991182 /nfs/dbraw/zinc/99/11/82/1217991182.db2.gz LQXHPJUHSWJOFT-SNVBAGLBSA-N 1 2 368.365 0.506 10 5 FCBELO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC001473752992 1261495716 /nfs/dbraw/zinc/49/57/16/1261495716.db2.gz XGYAPXJTAKXZIV-FZMZJTMJSA-N 1 2 353.375 0.978 10 5 FCBELO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC001473752992 1261495719 /nfs/dbraw/zinc/49/57/19/1261495719.db2.gz XGYAPXJTAKXZIV-FZMZJTMJSA-N 1 2 353.375 0.978 10 5 FCBELO CCS(=O)(=O)CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001479887053 1263414165 /nfs/dbraw/zinc/41/41/65/1263414165.db2.gz JFQAQNVHHAMKHC-ZIAGYGMSSA-N 1 2 361.464 0.399 10 5 FCBELO CC(C)c1nnc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)o1 ZINC001484862677 1263490492 /nfs/dbraw/zinc/49/04/92/1263490492.db2.gz LXAGSFPRKGFCTN-VXGBXAGGSA-N 1 2 367.406 0.613 10 5 FCBELO CC1(C(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC001493132447 1263701463 /nfs/dbraw/zinc/70/14/63/1263701463.db2.gz IGIPNKDBIHPJTG-ZIAGYGMSSA-N 1 2 352.435 0.492 10 5 FCBELO Cn1nnnc1C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001323708653 1264491730 /nfs/dbraw/zinc/49/17/30/1264491730.db2.gz KSZJDCZMUIQIEA-ZIAGYGMSSA-N 1 2 365.438 0.516 10 5 FCBELO Cn1nnnc1C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001323708653 1264491733 /nfs/dbraw/zinc/49/17/33/1264491733.db2.gz KSZJDCZMUIQIEA-ZIAGYGMSSA-N 1 2 365.438 0.516 10 5 FCBELO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001544644735 1267588814 /nfs/dbraw/zinc/58/88/14/1267588814.db2.gz FCBJPWCEPXHIHO-UHFFFAOYSA-N 1 2 367.406 0.714 10 5 FCBELO CCn1ncc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001569699746 1269798146 /nfs/dbraw/zinc/79/81/46/1269798146.db2.gz APSSPNFZEHGGHR-ZIAGYGMSSA-N 1 2 350.423 0.682 10 5 FCBELO CC(C)(C)n1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001714133286 1287313034 /nfs/dbraw/zinc/31/30/34/1287313034.db2.gz MKGNEUHAVRPWKV-VXGBXAGGSA-N 1 2 365.438 0.612 10 5 FCBELO Cc1cccc(CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001715517961 1287353700 /nfs/dbraw/zinc/35/37/00/1287353700.db2.gz KQNIKRIGYURMON-HZPDHXFCSA-N 1 2 362.430 0.667 10 5 FCBELO Cc1cccc(CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001715517961 1287353703 /nfs/dbraw/zinc/35/37/03/1287353703.db2.gz KQNIKRIGYURMON-HZPDHXFCSA-N 1 2 362.430 0.667 10 5 FCBELO CCN(CC[NH2+]Cc1cnn(-c2ccccc2)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716217413 1287374290 /nfs/dbraw/zinc/37/42/90/1287374290.db2.gz RTHGKZBNWBGYCI-HZPDHXFCSA-N 1 2 358.402 0.871 10 5 FCBELO O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)NCC[NH+]1CCCCC1 ZINC001640694940 1282891594 /nfs/dbraw/zinc/89/15/94/1282891594.db2.gz MIWZKLOXTUIEEY-UHFFFAOYSA-N 1 2 350.375 0.632 10 5 FCBELO NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001641267999 1282936109 /nfs/dbraw/zinc/93/61/09/1282936109.db2.gz WMICZYLCKAFXIJ-QWRGUYRKSA-N 1 2 372.378 0.110 10 5 FCBELO NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001641267999 1282936117 /nfs/dbraw/zinc/93/61/17/1282936117.db2.gz WMICZYLCKAFXIJ-QWRGUYRKSA-N 1 2 372.378 0.110 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2CC3(CC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001703775750 1286138456 /nfs/dbraw/zinc/13/84/56/1286138456.db2.gz FVXBAUGUIBULQG-HUUCEWRRSA-N 1 2 364.446 0.492 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2(F)CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001703776402 1286139093 /nfs/dbraw/zinc/13/90/93/1286139093.db2.gz SIEJPEBWXMDXFJ-ZIAGYGMSSA-N 1 2 370.425 0.584 10 5 FCBELO COc1cccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)c1 ZINC001595850828 1286266268 /nfs/dbraw/zinc/26/62/68/1286266268.db2.gz PBGQLPHNPLEGGG-UHFFFAOYSA-N 1 2 360.374 0.539 10 5 FCBELO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1c[nH+]cn1C ZINC001725937142 1288480304 /nfs/dbraw/zinc/48/03/04/1288480304.db2.gz PPFXRXZZTXUDLX-CHWSQXEVSA-N 1 2 351.407 0.229 10 5 FCBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(O)cc1 ZINC001731803538 1288565886 /nfs/dbraw/zinc/56/58/86/1288565886.db2.gz OKWUOEXQJICFMG-ZIAGYGMSSA-N 1 2 350.375 0.434 10 5 FCBELO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(O)cc1 ZINC001731803538 1288565889 /nfs/dbraw/zinc/56/58/89/1288565889.db2.gz OKWUOEXQJICFMG-ZIAGYGMSSA-N 1 2 350.375 0.434 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccs1 ZINC001737328845 1289531025 /nfs/dbraw/zinc/53/10/25/1289531025.db2.gz XKDSCLVETGGJHM-CHWSQXEVSA-N 1 2 366.443 0.677 10 5 FCBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001622351655 1290123237 /nfs/dbraw/zinc/12/32/37/1290123237.db2.gz IAFYRXSXOANODV-AWEZNQCLSA-N 1 2 364.402 0.740 10 5 FCBELO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCNC1=O ZINC001643564576 1290904916 /nfs/dbraw/zinc/90/49/16/1290904916.db2.gz CDTZJSDQEBJTAH-LBPRGKRZSA-N 1 2 356.404 0.084 10 5 FCBELO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCNC1=O ZINC001643564576 1290904925 /nfs/dbraw/zinc/90/49/25/1290904925.db2.gz CDTZJSDQEBJTAH-LBPRGKRZSA-N 1 2 356.404 0.084 10 5 FCBELO NS(=O)(=O)c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001651438494 1291222624 /nfs/dbraw/zinc/22/26/24/1291222624.db2.gz KYFXSBAEOHAYBR-UHFFFAOYSA-N 1 2 372.403 0.103 10 5 FCBELO NS(=O)(=O)c1ccc(NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001651438494 1291222629 /nfs/dbraw/zinc/22/26/29/1291222629.db2.gz KYFXSBAEOHAYBR-UHFFFAOYSA-N 1 2 372.403 0.103 10 5 FCBELO CC[C@H]1COCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001164067132 850392559 /nfs/dbraw/zinc/39/25/59/850392559.db2.gz JRKNDEHBGAXBLM-NSHDSACASA-N 1 2 358.420 0.765 10 5 FCBELO CC[C@H]1COCC[N@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001164067132 850392566 /nfs/dbraw/zinc/39/25/66/850392566.db2.gz JRKNDEHBGAXBLM-NSHDSACASA-N 1 2 358.420 0.765 10 5 FCBELO NC(=O)C1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS(=O)(=O)CC1 ZINC001175552053 850767532 /nfs/dbraw/zinc/76/75/32/850767532.db2.gz QJMNUAAOZUOFLG-UHFFFAOYSA-N 1 2 361.807 0.771 10 5 FCBELO CN(CC[NH2+]Cc1nn(C)cc1Br)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371837 859505697 /nfs/dbraw/zinc/50/56/97/859505697.db2.gz WYMPAVJWRKGWPL-LDYMZIIASA-N 1 2 360.212 0.396 10 5 FCBELO O=C(NCCC[NH+]1CCN(Cc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316957402 867511672 /nfs/dbraw/zinc/51/16/72/867511672.db2.gz CZJNBELJMSRRRD-ZIAGYGMSSA-N 1 2 353.448 0.432 10 5 FCBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284816007 213228030 /nfs/dbraw/zinc/22/80/30/213228030.db2.gz ADVICRCFWDCPIN-RTHLEPHNSA-N 1 2 356.766 0.497 10 5 FCBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284816007 213228032 /nfs/dbraw/zinc/22/80/32/213228032.db2.gz ADVICRCFWDCPIN-RTHLEPHNSA-N 1 2 356.766 0.497 10 5 FCBELO Cn1nc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1N ZINC000284309259 213109283 /nfs/dbraw/zinc/10/92/83/213109283.db2.gz PAVWYSRDLQNDNZ-DGCLKSJQSA-N 1 2 362.390 0.882 10 5 FCBELO Cn1nc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1N ZINC000284309259 213109285 /nfs/dbraw/zinc/10/92/85/213109285.db2.gz PAVWYSRDLQNDNZ-DGCLKSJQSA-N 1 2 362.390 0.882 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000366801482 216032900 /nfs/dbraw/zinc/03/29/00/216032900.db2.gz NVIJJWGLVRDDDA-UHFFFAOYSA-N 1 2 364.402 0.562 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000366801482 216032904 /nfs/dbraw/zinc/03/29/04/216032904.db2.gz NVIJJWGLVRDDDA-UHFFFAOYSA-N 1 2 364.402 0.562 10 5 FCBELO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367687165 216150995 /nfs/dbraw/zinc/15/09/95/216150995.db2.gz KGOUKZLFEQJMBJ-HNNXBMFYSA-N 1 2 362.386 0.679 10 5 FCBELO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367687165 216150998 /nfs/dbraw/zinc/15/09/98/216150998.db2.gz KGOUKZLFEQJMBJ-HNNXBMFYSA-N 1 2 362.386 0.679 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000368838167 216305660 /nfs/dbraw/zinc/30/56/60/216305660.db2.gz JUGHBXIAGBKFCF-UHFFFAOYSA-N 1 2 363.418 0.677 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000368838167 216305663 /nfs/dbraw/zinc/30/56/63/216305663.db2.gz JUGHBXIAGBKFCF-UHFFFAOYSA-N 1 2 363.418 0.677 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000368837820 216305730 /nfs/dbraw/zinc/30/57/30/216305730.db2.gz HFZMZAAQPRZQNW-UHFFFAOYSA-N 1 2 360.374 0.365 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000368837820 216305732 /nfs/dbraw/zinc/30/57/32/216305732.db2.gz HFZMZAAQPRZQNW-UHFFFAOYSA-N 1 2 360.374 0.365 10 5 FCBELO O=C(C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCOCC1 ZINC000277745710 212393993 /nfs/dbraw/zinc/39/39/93/212393993.db2.gz IWOYCROHQDWYAV-UHFFFAOYSA-N 1 2 374.401 0.452 10 5 FCBELO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000187142275 209205708 /nfs/dbraw/zinc/20/57/08/209205708.db2.gz RSAXNYZQZAAWOJ-CQSZACIVSA-N 1 2 363.418 0.938 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000183239928 209144134 /nfs/dbraw/zinc/14/41/34/209144134.db2.gz KFFRLHDSSCJLQU-UHFFFAOYSA-N 1 2 362.430 0.880 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181703450 209119786 /nfs/dbraw/zinc/11/97/86/209119786.db2.gz HDXJRIDTCKRMEU-CQSZACIVSA-N 1 2 365.415 0.972 10 5 FCBELO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000181463704 209114818 /nfs/dbraw/zinc/11/48/18/209114818.db2.gz YLYPVUYLQSIPOE-LRDDRELGSA-N 1 2 359.386 0.204 10 5 FCBELO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270809841 211272209 /nfs/dbraw/zinc/27/22/09/211272209.db2.gz PFOLYBOHDKWRFM-ZDUSSCGKSA-N 1 2 373.417 0.664 10 5 FCBELO CN1CCO[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000472883106 250186361 /nfs/dbraw/zinc/18/63/61/250186361.db2.gz CAYZISBDXXRNOB-HZPDHXFCSA-N 1 2 357.370 0.936 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000269847644 211098750 /nfs/dbraw/zinc/09/87/50/211098750.db2.gz QNUJFAUYCMURQS-LBPRGKRZSA-N 1 2 373.431 0.681 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000269705036 211050333 /nfs/dbraw/zinc/05/03/33/211050333.db2.gz LVHDMGFRMXBDLM-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000269705036 211050337 /nfs/dbraw/zinc/05/03/37/211050337.db2.gz LVHDMGFRMXBDLM-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072632522 208038885 /nfs/dbraw/zinc/03/88/85/208038885.db2.gz VPVXHHBBQJEHCB-NWDGAFQWSA-N 1 2 366.403 0.712 10 5 FCBELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072632522 208038890 /nfs/dbraw/zinc/03/88/90/208038890.db2.gz VPVXHHBBQJEHCB-NWDGAFQWSA-N 1 2 366.403 0.712 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000163794174 208855628 /nfs/dbraw/zinc/85/56/28/208855628.db2.gz ZDYRFUWMBGAXGL-HNNXBMFYSA-N 1 2 369.443 0.874 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000178821245 209062189 /nfs/dbraw/zinc/06/21/89/209062189.db2.gz BMUKTISDZAUNSA-ZDUSSCGKSA-N 1 2 357.432 0.980 10 5 FCBELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301967796 488885996 /nfs/dbraw/zinc/88/59/96/488885996.db2.gz OXWYWXKPGWNKMW-CYBMUJFWSA-N 1 2 373.417 0.770 10 5 FCBELO O=C(C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000302857974 488892051 /nfs/dbraw/zinc/89/20/51/488892051.db2.gz NAKLZXDKGGUTMU-UHFFFAOYSA-N 1 2 352.366 0.715 10 5 FCBELO COc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000024712384 487650166 /nfs/dbraw/zinc/65/01/66/487650166.db2.gz KNQWFFISITVIOW-UHFFFAOYSA-N 1 2 364.402 0.840 10 5 FCBELO COc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000024712384 487650173 /nfs/dbraw/zinc/65/01/73/487650173.db2.gz KNQWFFISITVIOW-UHFFFAOYSA-N 1 2 364.402 0.840 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000192146135 488422562 /nfs/dbraw/zinc/42/25/62/488422562.db2.gz ZYLGMQWNZJJFIG-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000192146135 488422563 /nfs/dbraw/zinc/42/25/63/488422563.db2.gz ZYLGMQWNZJJFIG-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H](C)CO)CC1 ZINC000120513564 488561718 /nfs/dbraw/zinc/56/17/18/488561718.db2.gz CMBDCLWVZMVIHM-GFCCVEGCSA-N 1 2 357.432 0.838 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000123256803 488584127 /nfs/dbraw/zinc/58/41/27/488584127.db2.gz UXUUIBDAYGKKQF-ZDUSSCGKSA-N 1 2 357.432 0.980 10 5 FCBELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000127167288 488615227 /nfs/dbraw/zinc/61/52/27/488615227.db2.gz JXBCQIQWNNBAPV-OAHLLOKOSA-N 1 2 372.385 0.769 10 5 FCBELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000127167288 488615228 /nfs/dbraw/zinc/61/52/28/488615228.db2.gz JXBCQIQWNNBAPV-OAHLLOKOSA-N 1 2 372.385 0.769 10 5 FCBELO Cc1noc([C@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000131839543 488648809 /nfs/dbraw/zinc/64/88/09/488648809.db2.gz FWURKSCWSJIWGL-LBPRGKRZSA-N 1 2 362.390 0.827 10 5 FCBELO COCCCS(=O)(=O)NCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153380852 488730708 /nfs/dbraw/zinc/73/07/08/488730708.db2.gz XCAPRGQZWVRHOO-UHFFFAOYSA-N 1 2 357.432 0.909 10 5 FCBELO COCCCS(=O)(=O)NCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153380852 488730710 /nfs/dbraw/zinc/73/07/10/488730710.db2.gz XCAPRGQZWVRHOO-UHFFFAOYSA-N 1 2 357.432 0.909 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000163925856 488809552 /nfs/dbraw/zinc/80/95/52/488809552.db2.gz KGKYWEBGPGIFGS-HNNXBMFYSA-N 1 2 371.459 0.856 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000173539318 488843420 /nfs/dbraw/zinc/84/34/20/488843420.db2.gz QNKUKSXOQJLHGR-LLVKDONJSA-N 1 2 361.445 0.999 10 5 FCBELO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173993098 488846886 /nfs/dbraw/zinc/84/68/86/488846886.db2.gz QFMDOMPZYTVFKZ-INIZCTEOSA-N 1 2 360.414 0.890 10 5 FCBELO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173993098 488846887 /nfs/dbraw/zinc/84/68/87/488846887.db2.gz QFMDOMPZYTVFKZ-INIZCTEOSA-N 1 2 360.414 0.890 10 5 FCBELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173993098 488846888 /nfs/dbraw/zinc/84/68/88/488846888.db2.gz QFMDOMPZYTVFKZ-INIZCTEOSA-N 1 2 360.414 0.890 10 5 FCBELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000174781363 488851223 /nfs/dbraw/zinc/85/12/23/488851223.db2.gz CPFJPJNWQJESAO-CQSZACIVSA-N 1 2 366.447 0.735 10 5 FCBELO CN(CCCO)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000281711481 489100363 /nfs/dbraw/zinc/10/03/63/489100363.db2.gz ONEFWCPAPANVQR-UHFFFAOYSA-N 1 2 372.447 0.350 10 5 FCBELO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000298294946 489313161 /nfs/dbraw/zinc/31/31/61/489313161.db2.gz JWWCRBKJHVORSM-UHFFFAOYSA-N 1 2 358.358 0.932 10 5 FCBELO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cn1 ZINC000370511957 489368816 /nfs/dbraw/zinc/36/88/16/489368816.db2.gz MCQGOFDCBCHXKQ-HNNXBMFYSA-N 1 2 352.416 0.928 10 5 FCBELO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363342127 489455372 /nfs/dbraw/zinc/45/53/72/489455372.db2.gz XRHSWWPDUUABIZ-UHFFFAOYSA-N 1 2 354.326 0.654 10 5 FCBELO O=C(C[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451442375 489504846 /nfs/dbraw/zinc/50/48/46/489504846.db2.gz VTHGMVLMCWHZCY-AWEZNQCLSA-N 1 2 359.285 0.964 10 5 FCBELO O=C(C[N@@H+]1CC[C@@](O)(C(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451442375 489504848 /nfs/dbraw/zinc/50/48/48/489504848.db2.gz VTHGMVLMCWHZCY-AWEZNQCLSA-N 1 2 359.285 0.964 10 5 FCBELO COC(=O)[C@H](C1CC1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420975404 490036640 /nfs/dbraw/zinc/03/66/40/490036640.db2.gz QSBLEWPHQIXWMQ-AWEZNQCLSA-N 1 2 371.415 0.757 10 5 FCBELO COC(=O)[C@H](C1CC1)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420975404 490036643 /nfs/dbraw/zinc/03/66/43/490036643.db2.gz QSBLEWPHQIXWMQ-AWEZNQCLSA-N 1 2 371.415 0.757 10 5 FCBELO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000421013061 490042955 /nfs/dbraw/zinc/04/29/55/490042955.db2.gz JXBXKJJNVGYADL-UHFFFAOYSA-N 1 2 372.447 0.720 10 5 FCBELO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000421013061 490042961 /nfs/dbraw/zinc/04/29/61/490042961.db2.gz JXBXKJJNVGYADL-UHFFFAOYSA-N 1 2 372.447 0.720 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000378402186 490060002 /nfs/dbraw/zinc/06/00/02/490060002.db2.gz YNGDOOGNKDDDFR-OAHLLOKOSA-N 1 2 355.416 0.831 10 5 FCBELO Cn1ccnc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000466710770 490206574 /nfs/dbraw/zinc/20/65/74/490206574.db2.gz PCFBFUADJUROIQ-UHFFFAOYSA-N 1 2 359.386 0.890 10 5 FCBELO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000447685884 490260120 /nfs/dbraw/zinc/26/01/20/490260120.db2.gz BXEXEVNVARCOHY-UHFFFAOYSA-N 1 2 372.385 0.732 10 5 FCBELO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000447685884 490260130 /nfs/dbraw/zinc/26/01/30/490260130.db2.gz BXEXEVNVARCOHY-UHFFFAOYSA-N 1 2 372.385 0.732 10 5 FCBELO CCOC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000516190184 490855746 /nfs/dbraw/zinc/85/57/46/490855746.db2.gz ZUHHZXGIPVHDHG-UHFFFAOYSA-N 1 2 371.415 0.854 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000589502815 491762839 /nfs/dbraw/zinc/76/28/39/491762839.db2.gz AZFZXENSICOKMR-UHFFFAOYSA-N 1 2 364.402 0.763 10 5 FCBELO CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589495172 491762916 /nfs/dbraw/zinc/76/29/16/491762916.db2.gz YNXRBLQURGNQPN-UHFFFAOYSA-N 1 2 364.402 0.635 10 5 FCBELO CCOC(=O)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590382659 491774631 /nfs/dbraw/zinc/77/46/31/491774631.db2.gz JAPCDEZLYOJKOP-LBPRGKRZSA-N 1 2 362.342 0.824 10 5 FCBELO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126499 491897241 /nfs/dbraw/zinc/89/72/41/491897241.db2.gz SBUHJPGZJOZNDK-SECBINFHSA-N 1 2 367.328 0.476 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000599160782 492138728 /nfs/dbraw/zinc/13/87/28/492138728.db2.gz NJVNCYUYOBFXMX-AWEZNQCLSA-N 1 2 364.402 0.810 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000599160782 492138730 /nfs/dbraw/zinc/13/87/30/492138730.db2.gz NJVNCYUYOBFXMX-AWEZNQCLSA-N 1 2 364.402 0.810 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599194914 492141053 /nfs/dbraw/zinc/14/10/53/492141053.db2.gz MRWXFLUAJYRBMG-CQSZACIVSA-N 1 2 364.406 0.152 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599194914 492141056 /nfs/dbraw/zinc/14/10/56/492141056.db2.gz MRWXFLUAJYRBMG-CQSZACIVSA-N 1 2 364.406 0.152 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000599203206 492141782 /nfs/dbraw/zinc/14/17/82/492141782.db2.gz JYZDESSVLVANJI-UHFFFAOYSA-N 1 2 365.415 0.835 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000599210819 492142621 /nfs/dbraw/zinc/14/26/21/492142621.db2.gz 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COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487113 1289991467 /nfs/dbraw/zinc/99/14/67/1289991467.db2.gz PPWAQFYFUPAGOL-AHIWAGSCSA-N 1 2 368.386 0.987 10 5 FCBELO COc1cccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001629962927 1290636779 /nfs/dbraw/zinc/63/67/79/1290636779.db2.gz OMIBSUPOYYWPQB-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO COc1cccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001629962927 1290636789 /nfs/dbraw/zinc/63/67/89/1290636789.db2.gz OMIBSUPOYYWPQB-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001652702823 1291294029 /nfs/dbraw/zinc/29/40/29/1291294029.db2.gz KWRCPFGOAVSRHN-GFCCVEGCSA-N 1 2 362.342 0.770 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001652702823 1291294039 /nfs/dbraw/zinc/29/40/39/1291294039.db2.gz KWRCPFGOAVSRHN-GFCCVEGCSA-N 1 2 362.342 0.770 10 5 FCBELO O=C(NC/C=C\C[NH2+]Cc1cn(-c2ccccc2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822335 1291975345 /nfs/dbraw/zinc/97/53/45/1291975345.db2.gz WXYOGZPTAIYGFT-KSLSASGISA-N 1 2 356.386 0.695 10 5 FCBELO Cn1c[nH+]c(CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC001129537689 848860415 /nfs/dbraw/zinc/86/04/15/848860415.db2.gz BDYSYGDMWAHFBU-UHFFFAOYSA-N 1 2 352.372 0.704 10 5 FCBELO NS(=O)(=O)C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001176699732 850798727 /nfs/dbraw/zinc/79/87/27/850798727.db2.gz NSUDFQOXKMRNIL-LLVKDONJSA-N 1 2 368.415 0.094 10 5 FCBELO NS(=O)(=O)C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001176699732 850798737 /nfs/dbraw/zinc/79/87/37/850798737.db2.gz NSUDFQOXKMRNIL-LLVKDONJSA-N 1 2 368.415 0.094 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001198328601 853251338 /nfs/dbraw/zinc/25/13/38/853251338.db2.gz ULRIWNOKJILIBX-NSHDSACASA-N 1 2 356.404 0.452 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001198328601 853251342 /nfs/dbraw/zinc/25/13/42/853251342.db2.gz ULRIWNOKJILIBX-NSHDSACASA-N 1 2 356.404 0.452 10 5 FCBELO Cc1cnc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001279432008 862885512 /nfs/dbraw/zinc/88/55/12/862885512.db2.gz WBBACDQAXYEZMN-ZIAGYGMSSA-N 1 2 351.407 0.318 10 5 FCBELO Cc1ncoc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001266263003 859474843 /nfs/dbraw/zinc/47/48/43/859474843.db2.gz RYEOTLOJJMSMMT-ZIAGYGMSSA-N 1 2 351.407 0.272 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCS(=O)(=O)CC1 ZINC001292759510 865750407 /nfs/dbraw/zinc/75/04/07/865750407.db2.gz ZHTSLXSYQMKQPX-UHFFFAOYSA-N 1 2 350.356 0.651 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001298752641 866130068 /nfs/dbraw/zinc/13/00/68/866130068.db2.gz WOXLJDOOLJVHLE-NSHDSACASA-N 1 2 371.415 0.185 10 5 FCBELO CCN(CC[NH2+]Cc1csc(NC(C)=O)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734317 868256809 /nfs/dbraw/zinc/25/68/09/868256809.db2.gz HFDLCQGIOOAWPD-VXGBXAGGSA-N 1 2 355.420 0.705 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000368830720 216304006 /nfs/dbraw/zinc/30/40/06/216304006.db2.gz RWZUQVSKDZAHHJ-UHFFFAOYSA-N 1 2 374.401 0.899 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000368830720 216304009 /nfs/dbraw/zinc/30/40/09/216304009.db2.gz RWZUQVSKDZAHHJ-UHFFFAOYSA-N 1 2 374.401 0.899 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000275901557 212115468 /nfs/dbraw/zinc/11/54/68/212115468.db2.gz PTUGOSAGDSDGLN-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000275901557 212115470 /nfs/dbraw/zinc/11/54/70/212115470.db2.gz PTUGOSAGDSDGLN-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181924776 209123406 /nfs/dbraw/zinc/12/34/06/209123406.db2.gz XOZVPWLVGWCCOZ-CQSZACIVSA-N 1 2 371.459 0.757 10 5 FCBELO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000181386584 209113185 /nfs/dbraw/zinc/11/31/85/209113185.db2.gz HURVNPNNMNHSIK-CQSZACIVSA-N 1 2 355.358 0.991 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000269904993 211114128 /nfs/dbraw/zinc/11/41/28/211114128.db2.gz ZJAHOTOIFRNWMU-GFCCVEGCSA-N 1 2 373.431 0.681 10 5 FCBELO CN(C)C(=O)CN1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000029848780 487733214 /nfs/dbraw/zinc/73/32/14/487733214.db2.gz KFSAKTAPZOYLKU-UHFFFAOYSA-N 1 2 363.418 0.290 10 5 FCBELO CN(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000029848780 487733220 /nfs/dbraw/zinc/73/32/20/487733220.db2.gz KFSAKTAPZOYLKU-UHFFFAOYSA-N 1 2 363.418 0.290 10 5 FCBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000184679421 488396883 /nfs/dbraw/zinc/39/68/83/488396883.db2.gz OEZFQGMOTHRHRF-RDJZCZTQSA-N 1 2 365.430 0.973 10 5 FCBELO Cc1nn(CCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(C)c1[N+](=O)[O-] ZINC000114857988 488542384 /nfs/dbraw/zinc/54/23/84/488542384.db2.gz UNDZUAPXXYYVQC-CQSZACIVSA-N 1 2 351.407 0.778 10 5 FCBELO Cc1nn(CCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(C)c1[N+](=O)[O-] ZINC000114857988 488542385 /nfs/dbraw/zinc/54/23/85/488542385.db2.gz UNDZUAPXXYYVQC-CQSZACIVSA-N 1 2 351.407 0.778 10 5 FCBELO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000262045967 488547829 /nfs/dbraw/zinc/54/78/29/488547829.db2.gz PSJMGDFBCZIVRN-SECBINFHSA-N 1 2 357.417 0.725 10 5 FCBELO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000262045969 488547946 /nfs/dbraw/zinc/54/79/46/488547946.db2.gz PSJMGDFBCZIVRN-VIFPVBQESA-N 1 2 357.417 0.725 10 5 FCBELO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000125268697 488599531 /nfs/dbraw/zinc/59/95/31/488599531.db2.gz ZNGMGKHDKBCIGZ-CYBMUJFWSA-N 1 2 357.432 0.891 10 5 FCBELO COCCNC(=O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277859310 488790869 /nfs/dbraw/zinc/79/08/69/488790869.db2.gz OAWFFVXDQOHDKF-UHFFFAOYSA-N 1 2 362.390 0.356 10 5 FCBELO COc1cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000452098190 489545360 /nfs/dbraw/zinc/54/53/60/489545360.db2.gz ADZPCXVUVMTDBI-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000452098190 489545363 /nfs/dbraw/zinc/54/53/63/489545363.db2.gz ADZPCXVUVMTDBI-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000416657263 489622345 /nfs/dbraw/zinc/62/23/45/489622345.db2.gz FDYVSZXJQKRGHS-MNOVXSKESA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1CCO ZINC000416657263 489622346 /nfs/dbraw/zinc/62/23/46/489622346.db2.gz FDYVSZXJQKRGHS-MNOVXSKESA-N 1 2 361.395 0.810 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416673169 489626242 /nfs/dbraw/zinc/62/62/42/489626242.db2.gz ZSSMVWDDCYNZSU-QWHCGFSZSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416673169 489626245 /nfs/dbraw/zinc/62/62/45/489626245.db2.gz ZSSMVWDDCYNZSU-QWHCGFSZSA-N 1 2 357.432 0.979 10 5 FCBELO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+]([C@@H]4CCS(=O)(=O)C4)CC3)nc2c1 ZINC000427992388 489632156 /nfs/dbraw/zinc/63/21/56/489632156.db2.gz MQPQWNPWWMXMJQ-GFCCVEGCSA-N 1 2 365.415 0.780 10 5 FCBELO COCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCOC1 ZINC000490061389 489743504 /nfs/dbraw/zinc/74/35/04/489743504.db2.gz XZVNWZPRSRYUEK-LLVKDONJSA-N 1 2 367.358 0.999 10 5 FCBELO COCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCOC1 ZINC000490061389 489743507 /nfs/dbraw/zinc/74/35/07/489743507.db2.gz XZVNWZPRSRYUEK-LLVKDONJSA-N 1 2 367.358 0.999 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000376796218 489797628 /nfs/dbraw/zinc/79/76/28/489797628.db2.gz KWUPQDVIZIJEOO-SECBINFHSA-N 1 2 351.331 0.831 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000494325238 489883240 /nfs/dbraw/zinc/88/32/40/489883240.db2.gz BZRUQFFMFKUGRQ-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000494325238 489883243 /nfs/dbraw/zinc/88/32/43/489883243.db2.gz BZRUQFFMFKUGRQ-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433952007 489906876 /nfs/dbraw/zinc/90/68/76/489906876.db2.gz FACLCSMEUPKPAL-UHFFFAOYSA-N 1 2 372.385 0.582 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433952007 489906879 /nfs/dbraw/zinc/90/68/79/489906879.db2.gz FACLCSMEUPKPAL-UHFFFAOYSA-N 1 2 372.385 0.582 10 5 FCBELO COCCOCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000510843041 490542832 /nfs/dbraw/zinc/54/28/32/490542832.db2.gz USIINGZHQYYZFS-UHFFFAOYSA-N 1 2 373.431 0.564 10 5 FCBELO CCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000500985096 490565936 /nfs/dbraw/zinc/56/59/36/490565936.db2.gz WVBKGRAAZKOWFJ-CQSZACIVSA-N 1 2 373.431 0.299 10 5 FCBELO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486551185 490644501 /nfs/dbraw/zinc/64/45/01/490644501.db2.gz ROEQSKLIFIKVFX-UHFFFAOYSA-N 1 2 370.356 0.824 10 5 FCBELO CCOC(=O)COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568496767 491580972 /nfs/dbraw/zinc/58/09/72/491580972.db2.gz XYUQUFUSDUGRQN-UHFFFAOYSA-N 1 2 365.386 0.932 10 5 FCBELO COC(=O)c1cccc(OC[C@H](O)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000584533631 491601560 /nfs/dbraw/zinc/60/15/60/491601560.db2.gz HNKKTVWSMGIXOQ-GFCCVEGCSA-N 1 2 353.375 0.369 10 5 FCBELO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000590441162 491776770 /nfs/dbraw/zinc/77/67/70/491776770.db2.gz BQEVQOLLKWAEPY-AAEUAGOBSA-N 1 2 353.400 0.774 10 5 FCBELO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000590441162 491776771 /nfs/dbraw/zinc/77/67/71/491776771.db2.gz BQEVQOLLKWAEPY-AAEUAGOBSA-N 1 2 353.400 0.774 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000591333829 491803072 /nfs/dbraw/zinc/80/30/72/491803072.db2.gz PXIQIOMIZJBMPT-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000591333829 491803073 /nfs/dbraw/zinc/80/30/73/491803073.db2.gz PXIQIOMIZJBMPT-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO Cc1c[nH+]c(C)nc1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582796182 491827208 /nfs/dbraw/zinc/82/72/08/491827208.db2.gz LQFJHJRQVBRBJW-UHFFFAOYSA-N 1 2 351.388 1.392 10 5 FCBELO Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000601384935 491911041 /nfs/dbraw/zinc/91/10/41/491911041.db2.gz KFJMOZPJPCXUDK-ZDUSSCGKSA-N 1 2 355.416 0.926 10 5 FCBELO Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000601384935 491911044 /nfs/dbraw/zinc/91/10/44/491911044.db2.gz KFJMOZPJPCXUDK-ZDUSSCGKSA-N 1 2 355.416 0.926 10 5 FCBELO COC[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000595289177 491913359 /nfs/dbraw/zinc/91/33/59/491913359.db2.gz PYOSHLINMBRRSB-AWEZNQCLSA-N 1 2 373.431 0.563 10 5 FCBELO CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601413647 491915758 /nfs/dbraw/zinc/91/57/58/491915758.db2.gz DQAXPQLOBZZZJA-AWEZNQCLSA-N 1 2 357.432 0.730 10 5 FCBELO CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601413647 491915761 /nfs/dbraw/zinc/91/57/61/491915761.db2.gz DQAXPQLOBZZZJA-AWEZNQCLSA-N 1 2 357.432 0.730 10 5 FCBELO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000595896936 491960022 /nfs/dbraw/zinc/96/00/22/491960022.db2.gz ZYKYNWDUCKUSHF-ZDUSSCGKSA-N 1 2 370.406 0.633 10 5 FCBELO C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1[nH+]ccn1C ZINC000598460164 492100013 /nfs/dbraw/zinc/10/00/13/492100013.db2.gz REDASIJTHSCYSG-VIFPVBQESA-N 1 2 357.326 0.802 10 5 FCBELO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598501039 492101659 /nfs/dbraw/zinc/10/16/59/492101659.db2.gz BIBZQGKOXHEAGQ-AWEZNQCLSA-N 1 2 358.402 0.864 10 5 FCBELO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598501039 492101660 /nfs/dbraw/zinc/10/16/60/492101660.db2.gz BIBZQGKOXHEAGQ-AWEZNQCLSA-N 1 2 358.402 0.864 10 5 FCBELO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598501040 492101768 /nfs/dbraw/zinc/10/17/68/492101768.db2.gz BIBZQGKOXHEAGQ-CQSZACIVSA-N 1 2 358.402 0.864 10 5 FCBELO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598501040 492101771 /nfs/dbraw/zinc/10/17/71/492101771.db2.gz BIBZQGKOXHEAGQ-CQSZACIVSA-N 1 2 358.402 0.864 10 5 FCBELO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598504771 492102204 /nfs/dbraw/zinc/10/22/04/492102204.db2.gz JFOMGRPVTCLGTB-HNNXBMFYSA-N 1 2 373.417 0.119 10 5 FCBELO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598504771 492102206 /nfs/dbraw/zinc/10/22/06/492102206.db2.gz JFOMGRPVTCLGTB-HNNXBMFYSA-N 1 2 373.417 0.119 10 5 FCBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000598947530 492126605 /nfs/dbraw/zinc/12/66/05/492126605.db2.gz LWDMTVVJCIMMHV-NSHDSACASA-N 1 2 369.337 0.799 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599132034 492137652 /nfs/dbraw/zinc/13/76/52/492137652.db2.gz VVBPOIJMQVXJDG-KRWDZBQOSA-N 1 2 364.402 0.721 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599132034 492137654 /nfs/dbraw/zinc/13/76/54/492137654.db2.gz VVBPOIJMQVXJDG-KRWDZBQOSA-N 1 2 364.402 0.721 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000599217177 492144122 /nfs/dbraw/zinc/14/41/22/492144122.db2.gz CDYFJLPYHCLGIH-UHFFFAOYSA-N 1 2 353.404 0.739 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000599217177 492144123 /nfs/dbraw/zinc/14/41/23/492144123.db2.gz CDYFJLPYHCLGIH-UHFFFAOYSA-N 1 2 353.404 0.739 10 5 FCBELO Cc1cccn2cc(CCNS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[nH+]c12 ZINC000599248179 492148445 /nfs/dbraw/zinc/14/84/45/492148445.db2.gz XAZCQIUKJJUVMV-UHFFFAOYSA-N 1 2 364.387 0.805 10 5 FCBELO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000599293247 492156195 /nfs/dbraw/zinc/15/61/95/492156195.db2.gz SWOCNWOMGWELFL-PHIMTYICSA-N 1 2 361.424 0.058 10 5 FCBELO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000599293247 492156197 /nfs/dbraw/zinc/15/61/97/492156197.db2.gz SWOCNWOMGWELFL-PHIMTYICSA-N 1 2 361.424 0.058 10 5 FCBELO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000599455942 492174849 /nfs/dbraw/zinc/17/48/49/492174849.db2.gz ZLNPSHOLMBZHEN-UHFFFAOYSA-N 1 2 370.431 0.865 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600230695 492251118 /nfs/dbraw/zinc/25/11/18/492251118.db2.gz BSOVYEGSBXHCDB-QGZVFWFLSA-N 1 2 365.386 0.646 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600230695 492251119 /nfs/dbraw/zinc/25/11/19/492251119.db2.gz BSOVYEGSBXHCDB-QGZVFWFLSA-N 1 2 365.386 0.646 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000600232155 492252042 /nfs/dbraw/zinc/25/20/42/492252042.db2.gz NZFQSPNHYUPEFN-MRXNPFEDSA-N 1 2 350.375 0.335 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000600232155 492252043 /nfs/dbraw/zinc/25/20/43/492252043.db2.gz NZFQSPNHYUPEFN-MRXNPFEDSA-N 1 2 350.375 0.335 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600233483 492252527 /nfs/dbraw/zinc/25/25/27/492252527.db2.gz ZPBDZQZAYNTANU-QGZVFWFLSA-N 1 2 365.386 0.646 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600233483 492252529 /nfs/dbraw/zinc/25/25/29/492252529.db2.gz ZPBDZQZAYNTANU-QGZVFWFLSA-N 1 2 365.386 0.646 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420223 492268399 /nfs/dbraw/zinc/26/83/99/492268399.db2.gz KBBPZKWEFTZSPU-VXGBXAGGSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420223 492268401 /nfs/dbraw/zinc/26/84/01/492268401.db2.gz KBBPZKWEFTZSPU-VXGBXAGGSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600418454 492268622 /nfs/dbraw/zinc/26/86/22/492268622.db2.gz CWRKQTOLVRMVAU-LBPRGKRZSA-N 1 2 355.416 0.740 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600418454 492268624 /nfs/dbraw/zinc/26/86/24/492268624.db2.gz CWRKQTOLVRMVAU-LBPRGKRZSA-N 1 2 355.416 0.740 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600417851 492268638 /nfs/dbraw/zinc/26/86/38/492268638.db2.gz BXYIPVVKRMQUMW-SNVBAGLBSA-N 1 2 370.793 0.425 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600417851 492268639 /nfs/dbraw/zinc/26/86/39/492268639.db2.gz BXYIPVVKRMQUMW-SNVBAGLBSA-N 1 2 370.793 0.425 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600417846 492268694 /nfs/dbraw/zinc/26/86/94/492268694.db2.gz BXYIPVVKRMQUMW-JTQLQIEISA-N 1 2 370.793 0.425 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600417846 492268695 /nfs/dbraw/zinc/26/86/95/492268695.db2.gz BXYIPVVKRMQUMW-JTQLQIEISA-N 1 2 370.793 0.425 10 5 FCBELO Cc1nn(CCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873569 492280695 /nfs/dbraw/zinc/28/06/95/492280695.db2.gz OISDNGRPCHSIFL-AWEZNQCLSA-N 1 2 350.423 0.304 10 5 FCBELO Cc1nn(CCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873569 492280697 /nfs/dbraw/zinc/28/06/97/492280697.db2.gz OISDNGRPCHSIFL-AWEZNQCLSA-N 1 2 350.423 0.304 10 5 FCBELO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187271509 533874332 /nfs/dbraw/zinc/87/43/32/533874332.db2.gz KGILYMSAJBCTBS-ZDUSSCGKSA-N 1 2 359.386 0.919 10 5 FCBELO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187271509 533874324 /nfs/dbraw/zinc/87/43/24/533874324.db2.gz KGILYMSAJBCTBS-ZDUSSCGKSA-N 1 2 359.386 0.919 10 5 FCBELO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000416364905 546911709 /nfs/dbraw/zinc/91/17/09/546911709.db2.gz AAYSIJHHNUZGFZ-JTQLQIEISA-N 1 2 368.371 0.945 10 5 FCBELO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593526390 546970622 /nfs/dbraw/zinc/97/06/22/546970622.db2.gz GOLFVQLJDBIJKY-RYUDHWBXSA-N 1 2 358.420 0.767 10 5 FCBELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593656178 546987190 /nfs/dbraw/zinc/98/71/90/546987190.db2.gz BOXBAYCHRDKBAK-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593656178 546987194 /nfs/dbraw/zinc/98/71/94/546987194.db2.gz BOXBAYCHRDKBAK-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000594758822 547005893 /nfs/dbraw/zinc/00/58/93/547005893.db2.gz MZBSXGMRENDMNA-LBPRGKRZSA-N 1 2 356.404 0.333 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000594763443 547006822 /nfs/dbraw/zinc/00/68/22/547006822.db2.gz RHYBWVJVVZFSEI-LBPRGKRZSA-N 1 2 356.404 0.333 10 5 FCBELO COCC[N@@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C(C)(C)C1 ZINC000594795222 547012776 /nfs/dbraw/zinc/01/27/76/547012776.db2.gz OLZDVAKIZNXVAG-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO COCC[N@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C(C)(C)C1 ZINC000594795222 547012777 /nfs/dbraw/zinc/01/27/77/547012777.db2.gz OLZDVAKIZNXVAG-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917056755 667049524 /nfs/dbraw/zinc/04/95/24/667049524.db2.gz ZMECTEHBGUOABI-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917056755 667049526 /nfs/dbraw/zinc/04/95/26/667049526.db2.gz ZMECTEHBGUOABI-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000919982102 667214263 /nfs/dbraw/zinc/21/42/63/667214263.db2.gz RCZBSBLUXVTYTI-QWRGUYRKSA-N 1 2 362.477 0.877 10 5 FCBELO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000919982102 667214267 /nfs/dbraw/zinc/21/42/67/667214267.db2.gz RCZBSBLUXVTYTI-QWRGUYRKSA-N 1 2 362.477 0.877 10 5 FCBELO CN(CC[NH2+]Cc1nnc(-c2ccccc2)n1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696623 1170090372 /nfs/dbraw/zinc/09/03/72/1170090372.db2.gz NNJHLKQOUTZORI-ZIAGYGMSSA-N 1 2 358.402 0.695 10 5 FCBELO O=C(NCC1([NH2+]Cc2cnn(-c3ccccc3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411413 1187847408 /nfs/dbraw/zinc/84/74/08/1187847408.db2.gz GJKTUUIUTNBHFM-HUUCEWRRSA-N 1 2 356.386 0.671 10 5 FCBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])c1 ZINC001174993790 1206298370 /nfs/dbraw/zinc/29/83/70/1206298370.db2.gz NKEBKYPRENRVOU-BLLLJJGKSA-N 1 2 367.402 0.997 10 5 FCBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])c1 ZINC001174993790 1206298372 /nfs/dbraw/zinc/29/83/72/1206298372.db2.gz NKEBKYPRENRVOU-BLLLJJGKSA-N 1 2 367.402 0.997 10 5 FCBELO Cn1cc([N+](=O)[O-])c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001185116850 1206475256 /nfs/dbraw/zinc/47/52/56/1206475256.db2.gz MONJHFPWJAISCM-UHFFFAOYSA-N 1 2 359.390 0.874 10 5 FCBELO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC001187415620 1206523802 /nfs/dbraw/zinc/52/38/02/1206523802.db2.gz YBTSXYAADZCLKY-UHFFFAOYSA-N 1 2 357.374 0.243 10 5 FCBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853522950 1209595861 /nfs/dbraw/zinc/59/58/61/1209595861.db2.gz RNOXECRNKURROU-NSHDSACASA-N 1 2 356.342 0.762 10 5 FCBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853522950 1209595867 /nfs/dbraw/zinc/59/58/67/1209595867.db2.gz RNOXECRNKURROU-NSHDSACASA-N 1 2 356.342 0.762 10 5 FCBELO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857992586 1209772648 /nfs/dbraw/zinc/77/26/48/1209772648.db2.gz ZTDBFTLATIWCIW-SNVBAGLBSA-N 1 2 355.310 0.649 10 5 FCBELO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058146 1210101354 /nfs/dbraw/zinc/10/13/54/1210101354.db2.gz JAMGEEXYTWPZCP-CQSZACIVSA-N 1 2 367.377 0.836 10 5 FCBELO Cn1ccnc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000749685174 1219806902 /nfs/dbraw/zinc/80/69/02/1219806902.db2.gz BRCHAKHGRLEQPL-OAHLLOKOSA-N 1 2 359.386 0.544 10 5 FCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1CCO ZINC000829046655 1222426318 /nfs/dbraw/zinc/42/63/18/1222426318.db2.gz ILLOFWWCUCZCGE-NSHDSACASA-N 1 2 354.382 0.939 10 5 FCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1CCO ZINC000829046655 1222426324 /nfs/dbraw/zinc/42/63/24/1222426324.db2.gz ILLOFWWCUCZCGE-NSHDSACASA-N 1 2 354.382 0.939 10 5 FCBELO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(O)(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC001473468414 1261489953 /nfs/dbraw/zinc/48/99/53/1261489953.db2.gz LGOTXUKHNIQSIW-NSHDSACASA-N 1 2 350.375 0.542 10 5 FCBELO Cn1c[nH+]cc1CC(=O)N1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001299663491 1262974973 /nfs/dbraw/zinc/97/49/73/1262974973.db2.gz ZIHWJNFBFPBMHY-ZIAGYGMSSA-N 1 2 363.418 0.373 10 5 FCBELO Cc1ccnc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001479919893 1263415958 /nfs/dbraw/zinc/41/59/58/1263415958.db2.gz MMBXOPVZZIGUEA-HUUCEWRRSA-N 1 2 362.434 0.074 10 5 FCBELO O=C(NCC1([NH2+]Cc2coc(C3CC3)n2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500570196 1264073875 /nfs/dbraw/zinc/07/38/75/1264073875.db2.gz BHLPZDWXAMAFOF-ZIAGYGMSSA-N 1 2 364.402 0.972 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506668993 1264334876 /nfs/dbraw/zinc/33/48/76/1264334876.db2.gz WNFBXASMEIKOAZ-TZMCWYRMSA-N 1 2 363.418 0.671 10 5 FCBELO Cc1ccnc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001325795113 1264997496 /nfs/dbraw/zinc/99/74/96/1264997496.db2.gz PSRPREPMNVTOHN-HUUCEWRRSA-N 1 2 362.434 0.120 10 5 FCBELO O=C(NCCC1CS(=O)(=O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001537403028 1267369534 /nfs/dbraw/zinc/36/95/34/1267369534.db2.gz KNLDAQLIQJIANA-UHFFFAOYSA-N 1 2 364.383 0.945 10 5 FCBELO Cn1c[nH+]cc1CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001340399509 1268535517 /nfs/dbraw/zinc/53/55/17/1268535517.db2.gz UVIGGRSWSLJNJW-HUUCEWRRSA-N 1 2 361.402 0.293 10 5 FCBELO C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+]1CCN(C)CC1 ZINC001556914857 1268904038 /nfs/dbraw/zinc/90/40/38/1268904038.db2.gz WQJUKJMAEWQCOO-CQSZACIVSA-N 1 2 362.434 0.274 10 5 FCBELO 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CCn1nc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 ZINC001714492962 1287322777 /nfs/dbraw/zinc/32/27/77/1287322777.db2.gz BLDNMKMUXQSIJZ-TZMCWYRMSA-N 1 2 350.423 0.790 10 5 FCBELO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001585412701 1282224894 /nfs/dbraw/zinc/22/48/94/1282224894.db2.gz AYPLRMUVFMTRAJ-ZDUSSCGKSA-N 1 2 374.401 0.685 10 5 FCBELO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001585412701 1282224901 /nfs/dbraw/zinc/22/49/01/1282224901.db2.gz AYPLRMUVFMTRAJ-ZDUSSCGKSA-N 1 2 374.401 0.685 10 5 FCBELO COc1ccc(C(=O)NCC(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC001637544760 1282602449 /nfs/dbraw/zinc/60/24/49/1282602449.db2.gz GBGPEBUXKQEODW-UHFFFAOYSA-N 1 2 361.358 0.426 10 5 FCBELO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001637901925 1282638303 /nfs/dbraw/zinc/63/83/03/1282638303.db2.gz GLXIESLLWXSRIG-LBPRGKRZSA-N 1 2 350.306 0.900 10 5 FCBELO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001637901925 1282638313 /nfs/dbraw/zinc/63/83/13/1282638313.db2.gz GLXIESLLWXSRIG-LBPRGKRZSA-N 1 2 350.306 0.900 10 5 FCBELO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC001642501429 1283015030 /nfs/dbraw/zinc/01/50/30/1283015030.db2.gz IGGNZIKSNIGKMQ-INIZCTEOSA-N 1 2 373.413 0.897 10 5 FCBELO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC001642501429 1283015044 /nfs/dbraw/zinc/01/50/44/1283015044.db2.gz IGGNZIKSNIGKMQ-INIZCTEOSA-N 1 2 373.413 0.897 10 5 FCBELO CC(C)N(CCN(C)C(=O)CCc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001680942601 1283464814 /nfs/dbraw/zinc/46/48/14/1283464814.db2.gz DZKIJWRHYMOSAS-CHWSQXEVSA-N 1 2 351.407 0.703 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2cccc(F)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731365345 1288553070 /nfs/dbraw/zinc/55/30/70/1288553070.db2.gz KVQCMWPDMBHQFK-UKRRQHHQSA-N 1 2 368.384 0.864 10 5 FCBELO O=C(NCC1([NH2+]Cc2nnc(C3CC3)o2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733466788 1288610789 /nfs/dbraw/zinc/61/07/89/1288610789.db2.gz LQGDVDQDPNNIMJ-VXGBXAGGSA-N 1 2 365.390 0.367 10 5 FCBELO Cc1nnc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)s1 ZINC001700246911 1289590536 /nfs/dbraw/zinc/59/05/36/1289590536.db2.gz RHBKFFFWBHJHKN-GHMZBOCLSA-N 1 2 355.420 0.267 10 5 FCBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(COCCO)CC2)c([N+](=O)[O-])c1 ZINC001620594532 1290005727 /nfs/dbraw/zinc/00/57/27/1290005727.db2.gz TWHZCRYAEWQUBG-UHFFFAOYSA-N 1 2 355.347 0.839 10 5 FCBELO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC001628390453 1290530559 /nfs/dbraw/zinc/53/05/59/1290530559.db2.gz RRYMWIJGSFCMMF-SWLSCSKDSA-N 1 2 364.402 0.537 10 5 FCBELO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC001628390453 1290530565 /nfs/dbraw/zinc/53/05/65/1290530565.db2.gz RRYMWIJGSFCMMF-SWLSCSKDSA-N 1 2 364.402 0.537 10 5 FCBELO COC(=O)[C@@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001643516232 1290902245 /nfs/dbraw/zinc/90/22/45/1290902245.db2.gz CVVXTINSMPDETL-MRXNPFEDSA-N 1 2 360.326 0.531 10 5 FCBELO COc1ccc(NC(=O)C[NH2+][C@H]2COCCC2(OC)OC)c([N+](=O)[O-])c1 ZINC001654676239 1291426778 /nfs/dbraw/zinc/42/67/78/1291426778.db2.gz COMPCHUKNZPKKB-AWEZNQCLSA-N 1 2 369.374 0.910 10 5 FCBELO NC(=O)c1ccc(CN2CC[NH+](CCc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001655403704 1291466405 /nfs/dbraw/zinc/46/64/05/1291466405.db2.gz ZTWWFJNKXYRTEJ-UHFFFAOYSA-N 1 2 370.413 0.844 10 5 FCBELO C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001688021708 1293036011 /nfs/dbraw/zinc/03/60/11/1293036011.db2.gz WWMGUBXQGZHRGX-KLHDSHLOSA-N 1 2 360.414 0.547 10 5 FCBELO C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001688021708 1293036021 /nfs/dbraw/zinc/03/60/21/1293036021.db2.gz WWMGUBXQGZHRGX-KLHDSHLOSA-N 1 2 360.414 0.547 10 5 FCBELO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001136393171 849219238 /nfs/dbraw/zinc/21/92/38/849219238.db2.gz GHLBEFIKOLRIAV-OAHLLOKOSA-N 1 2 369.447 0.424 10 5 FCBELO CN1CCC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001195486751 852771141 /nfs/dbraw/zinc/77/11/41/852771141.db2.gz BZQFPWKPEUCFCD-ZDUSSCGKSA-N 1 2 370.431 0.426 10 5 FCBELO CN1CCC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001195486751 852771145 /nfs/dbraw/zinc/77/11/45/852771145.db2.gz BZQFPWKPEUCFCD-ZDUSSCGKSA-N 1 2 370.431 0.426 10 5 FCBELO O=C(NC/C=C/C[NH2+]Cc1ccn(CC(F)(F)F)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268542649 859535216 /nfs/dbraw/zinc/53/52/16/859535216.db2.gz RIHDKDAPSAUOSK-NUYITTKVSA-N 1 2 361.324 0.873 10 5 FCBELO Cc1nc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)oc1C ZINC001273969163 860644583 /nfs/dbraw/zinc/64/45/83/860644583.db2.gz ODPRJDYLINXMIJ-CHWSQXEVSA-N 1 2 352.391 0.712 10 5 FCBELO CC[N@@H+]1CCO[C@@H](C(=O)NCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001302304349 866318811 /nfs/dbraw/zinc/31/88/11/866318811.db2.gz USHCYHHHMZNISZ-OAHLLOKOSA-N 1 2 351.359 0.623 10 5 FCBELO CC[N@H+]1CCO[C@@H](C(=O)NCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001302304349 866318825 /nfs/dbraw/zinc/31/88/25/866318825.db2.gz USHCYHHHMZNISZ-OAHLLOKOSA-N 1 2 351.359 0.623 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001302303866 866319313 /nfs/dbraw/zinc/31/93/13/866319313.db2.gz NGMZSZIISHSPAZ-BZNIZROVSA-N 1 2 351.359 0.357 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001302303866 866319327 /nfs/dbraw/zinc/31/93/27/866319327.db2.gz NGMZSZIISHSPAZ-BZNIZROVSA-N 1 2 351.359 0.357 10 5 FCBELO Cc1csc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001316958533 867511103 /nfs/dbraw/zinc/51/11/03/867511103.db2.gz ZQZDGUMXODUBAQ-ZIAGYGMSSA-N 1 2 367.475 0.741 10 5 FCBELO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1noc2c1COCC2 ZINC001317540956 867540119 /nfs/dbraw/zinc/54/01/19/867540119.db2.gz RSVFDFRUQSJUEG-BXUZGUMPSA-N 1 2 352.391 0.741 10 5 FCBELO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1noc2c1COCC2 ZINC001317540956 867540128 /nfs/dbraw/zinc/54/01/28/867540128.db2.gz RSVFDFRUQSJUEG-BXUZGUMPSA-N 1 2 352.391 0.741 10 5 FCBELO CCS(=O)(=O)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001324310119 869541934 /nfs/dbraw/zinc/54/19/34/869541934.db2.gz SSXVUVNLTNKUIZ-CHWSQXEVSA-N 1 2 361.464 0.447 10 5 FCBELO CN1CCO[C@H]2CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711995 213204050 /nfs/dbraw/zinc/20/40/50/213204050.db2.gz JCKXRCYAINRAFJ-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO CN1CCO[C@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711995 213204052 /nfs/dbraw/zinc/20/40/52/213204052.db2.gz JCKXRCYAINRAFJ-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711995 213204055 /nfs/dbraw/zinc/20/40/55/213204055.db2.gz JCKXRCYAINRAFJ-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO C[N@H+]1CCO[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711995 213204058 /nfs/dbraw/zinc/20/40/58/213204058.db2.gz JCKXRCYAINRAFJ-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO CCOc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000368996390 216329850 /nfs/dbraw/zinc/32/98/50/216329850.db2.gz UQOUWOADLCQZML-UHFFFAOYSA-N 1 2 350.375 0.627 10 5 FCBELO CCOc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000368996390 216329853 /nfs/dbraw/zinc/32/98/53/216329853.db2.gz UQOUWOADLCQZML-UHFFFAOYSA-N 1 2 350.375 0.627 10 5 FCBELO O=[N+]([O-])c1c(NCC[NH+]2CCOCC2)ncnc1-n1nnc2ccccc21 ZINC000040661183 205075680 /nfs/dbraw/zinc/07/56/80/205075680.db2.gz LNTIYOXJRBVVEK-UHFFFAOYSA-N 1 2 370.373 0.863 10 5 FCBELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181697200 209120258 /nfs/dbraw/zinc/12/02/58/209120258.db2.gz INAAZRKGFODNSW-AWEZNQCLSA-N 1 2 351.388 0.664 10 5 FCBELO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000425289275 247315737 /nfs/dbraw/zinc/31/57/37/247315737.db2.gz CVKWHWPYAKIOMS-VXGBXAGGSA-N 1 2 355.366 0.647 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000271414407 211396778 /nfs/dbraw/zinc/39/67/78/211396778.db2.gz OVNDNHRWQCUWPS-UHFFFAOYSA-N 1 2 369.385 0.934 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000270978323 211311175 /nfs/dbraw/zinc/31/11/75/211311175.db2.gz JAWKZDHYKHQFOG-CQSZACIVSA-N 1 2 359.386 0.959 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000270978323 211311180 /nfs/dbraw/zinc/31/11/80/211311180.db2.gz JAWKZDHYKHQFOG-CQSZACIVSA-N 1 2 359.386 0.959 10 5 FCBELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000104799664 208186986 /nfs/dbraw/zinc/18/69/86/208186986.db2.gz FGVSLWJBEWCDPP-MRXNPFEDSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000104799664 208186992 /nfs/dbraw/zinc/18/69/92/208186992.db2.gz FGVSLWJBEWCDPP-MRXNPFEDSA-N 1 2 363.418 0.757 10 5 FCBELO Cc1nn(C)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000110953997 208272614 /nfs/dbraw/zinc/27/26/14/208272614.db2.gz WFIBUYQOWXCSCX-ZDUSSCGKSA-N 1 2 351.407 0.964 10 5 FCBELO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000109985800 208265065 /nfs/dbraw/zinc/26/50/65/208265065.db2.gz ALEPIMJCYAXIIO-LLVKDONJSA-N 1 2 360.370 0.887 10 5 FCBELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000180303473 209093989 /nfs/dbraw/zinc/09/39/89/209093989.db2.gz OZUVEADFMSHMFK-GFCCVEGCSA-N 1 2 361.395 0.811 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000176997082 209013303 /nfs/dbraw/zinc/01/33/03/209013303.db2.gz XTQGQFNIFJUVIL-DOMZBBRYSA-N 1 2 355.416 0.936 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279084889 488915962 /nfs/dbraw/zinc/91/59/62/488915962.db2.gz ONDITJTXLKSBDF-QLJPJBMISA-N 1 2 361.358 0.596 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279084889 488915963 /nfs/dbraw/zinc/91/59/63/488915963.db2.gz ONDITJTXLKSBDF-QLJPJBMISA-N 1 2 361.358 0.596 10 5 FCBELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000031791259 487766172 /nfs/dbraw/zinc/76/61/72/487766172.db2.gz MTXQLDFKMRYAIA-LBPRGKRZSA-N 1 2 350.423 0.898 10 5 FCBELO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125389 488528392 /nfs/dbraw/zinc/52/83/92/488528392.db2.gz GCTPQRSPZSYMRS-HNNXBMFYSA-N 1 2 374.401 0.246 10 5 FCBELO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271754618 488544366 /nfs/dbraw/zinc/54/43/66/488544366.db2.gz UEXOWNGJESMFTN-ZIAGYGMSSA-N 1 2 366.418 0.990 10 5 FCBELO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000116885042 488549752 /nfs/dbraw/zinc/54/97/52/488549752.db2.gz TWGZOEBQPPZYNP-LLVKDONJSA-N 1 2 356.404 0.517 10 5 FCBELO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000116885042 488549754 /nfs/dbraw/zinc/54/97/54/488549754.db2.gz TWGZOEBQPPZYNP-LLVKDONJSA-N 1 2 356.404 0.517 10 5 FCBELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000122361214 488577739 /nfs/dbraw/zinc/57/77/39/488577739.db2.gz SZIPNBOVWDJDPK-WDEREUQCSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000122361214 488577740 /nfs/dbraw/zinc/57/77/40/488577740.db2.gz SZIPNBOVWDJDPK-WDEREUQCSA-N 1 2 361.395 0.810 10 5 FCBELO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000123969233 488589184 /nfs/dbraw/zinc/58/91/84/488589184.db2.gz QSRDYFDWZPDVAX-LSDHHAIUSA-N 1 2 358.354 0.591 10 5 FCBELO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000123969233 488589187 /nfs/dbraw/zinc/58/91/87/488589187.db2.gz QSRDYFDWZPDVAX-LSDHHAIUSA-N 1 2 358.354 0.591 10 5 FCBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c([N+](=O)[O-])cnn2C)nc[nH+]1 ZINC000125311235 488600013 /nfs/dbraw/zinc/60/00/13/488600013.db2.gz MQHVBPVORUCKDI-SNVBAGLBSA-N 1 2 360.378 0.559 10 5 FCBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c([N+](=O)[O-])cnn2C)[nH+]cn1 ZINC000125311235 488600016 /nfs/dbraw/zinc/60/00/16/488600016.db2.gz MQHVBPVORUCKDI-SNVBAGLBSA-N 1 2 360.378 0.559 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000273023768 488626320 /nfs/dbraw/zinc/62/63/20/488626320.db2.gz CEJVXRNZFSTOHK-SNVBAGLBSA-N 1 2 368.371 0.945 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171813670 488827148 /nfs/dbraw/zinc/82/71/48/488827148.db2.gz RHIHYJROZCJAMT-MRXNPFEDSA-N 1 2 373.413 0.978 10 5 FCBELO Cc1nn(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172759258 488837288 /nfs/dbraw/zinc/83/72/88/488837288.db2.gz QHDUALNCYXUXIQ-AWEZNQCLSA-N 1 2 351.407 0.731 10 5 FCBELO CCN(CC)C(=O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298282738 489311506 /nfs/dbraw/zinc/31/15/06/489311506.db2.gz GTLKRBOEFKXSMQ-UHFFFAOYSA-N 1 2 364.406 0.079 10 5 FCBELO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cn1 ZINC000370511958 489369210 /nfs/dbraw/zinc/36/92/10/489369210.db2.gz MCQGOFDCBCHXKQ-OAHLLOKOSA-N 1 2 352.416 0.928 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451896722 489529686 /nfs/dbraw/zinc/52/96/86/489529686.db2.gz SNCZTQQCKQABDR-GASCZTMLSA-N 1 2 355.416 0.877 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451896722 489529690 /nfs/dbraw/zinc/52/96/90/489529690.db2.gz SNCZTQQCKQABDR-GASCZTMLSA-N 1 2 355.416 0.877 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452104397 489546603 /nfs/dbraw/zinc/54/66/03/489546603.db2.gz LZADQMTUNZGUPI-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452104397 489546604 /nfs/dbraw/zinc/54/66/04/489546604.db2.gz LZADQMTUNZGUPI-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416494062 489601183 /nfs/dbraw/zinc/60/11/83/489601183.db2.gz HNSSNIZJBCTOTO-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416494062 489601184 /nfs/dbraw/zinc/60/11/84/489601184.db2.gz HNSSNIZJBCTOTO-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cn1c[nH+]c(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000416537897 489607675 /nfs/dbraw/zinc/60/76/75/489607675.db2.gz VLRSGXLORDUAEU-UHFFFAOYSA-N 1 2 368.371 0.621 10 5 FCBELO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000427444585 489608667 /nfs/dbraw/zinc/60/86/67/489608667.db2.gz RLZSIQKWNGVWTQ-GFCCVEGCSA-N 1 2 350.375 0.367 10 5 FCBELO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000427444585 489608670 /nfs/dbraw/zinc/60/86/70/489608670.db2.gz RLZSIQKWNGVWTQ-GFCCVEGCSA-N 1 2 350.375 0.367 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416669879 489625099 /nfs/dbraw/zinc/62/50/99/489625099.db2.gz SHDHEPOYIFHLGL-RYUDHWBXSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416669879 489625101 /nfs/dbraw/zinc/62/51/01/489625101.db2.gz SHDHEPOYIFHLGL-RYUDHWBXSA-N 1 2 357.432 0.979 10 5 FCBELO COc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000428531970 489651843 /nfs/dbraw/zinc/65/18/43/489651843.db2.gz AZHVLERTELSBQF-LLVKDONJSA-N 1 2 353.375 0.751 10 5 FCBELO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000428531970 489651847 /nfs/dbraw/zinc/65/18/47/489651847.db2.gz AZHVLERTELSBQF-LLVKDONJSA-N 1 2 353.375 0.751 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000419007708 489816270 /nfs/dbraw/zinc/81/62/70/489816270.db2.gz RVSJVMGUPVMILK-VXGBXAGGSA-N 1 2 357.432 0.890 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000419007708 489816274 /nfs/dbraw/zinc/81/62/74/489816274.db2.gz RVSJVMGUPVMILK-VXGBXAGGSA-N 1 2 357.432 0.890 10 5 FCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478878247 490047748 /nfs/dbraw/zinc/04/77/48/490047748.db2.gz YLPFRXKAUCAKKX-HNNXBMFYSA-N 1 2 364.402 0.862 10 5 FCBELO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443778151 490073073 /nfs/dbraw/zinc/07/30/73/490073073.db2.gz YBIWEBWLGUVYQZ-HNNXBMFYSA-N 1 2 373.431 0.050 10 5 FCBELO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411373324 490442740 /nfs/dbraw/zinc/44/27/40/490442740.db2.gz HXHHNCOCCWSFJX-GFCCVEGCSA-N 1 2 350.375 0.367 10 5 FCBELO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411373324 490442745 /nfs/dbraw/zinc/44/27/45/490442745.db2.gz HXHHNCOCCWSFJX-GFCCVEGCSA-N 1 2 350.375 0.367 10 5 FCBELO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000524666664 490550119 /nfs/dbraw/zinc/55/01/19/490550119.db2.gz LXHZIEYYGMKXSJ-UHFFFAOYSA-N 1 2 370.325 0.430 10 5 FCBELO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000511729046 490623026 /nfs/dbraw/zinc/62/30/26/490623026.db2.gz JROIKJZAHALRLW-UHFFFAOYSA-N 1 2 364.402 0.973 10 5 FCBELO C[C@H]1CN(c2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000502023437 490668976 /nfs/dbraw/zinc/66/89/76/490668976.db2.gz LUYCGXQUOSTORI-NSHDSACASA-N 1 2 360.374 0.878 10 5 FCBELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505601035 490834327 /nfs/dbraw/zinc/83/43/27/490834327.db2.gz BNLAWTPMDQFLAY-CYBMUJFWSA-N 1 2 351.407 0.653 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1=O ZINC000544037256 490955958 /nfs/dbraw/zinc/95/59/58/490955958.db2.gz BEUCGKWNQBLKST-LBPRGKRZSA-N 1 2 372.385 0.832 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000591333827 491803172 /nfs/dbraw/zinc/80/31/72/491803172.db2.gz PXIQIOMIZJBMPT-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000591333827 491803174 /nfs/dbraw/zinc/80/31/74/491803174.db2.gz PXIQIOMIZJBMPT-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598941431 492126107 /nfs/dbraw/zinc/12/61/07/492126107.db2.gz DLOQGMGGYUGYTL-SNVBAGLBSA-N 1 2 357.326 0.258 10 5 FCBELO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599327423 492160963 /nfs/dbraw/zinc/16/09/63/492160963.db2.gz HLBRZECLKACJEZ-UHFFFAOYSA-N 1 2 361.424 0.060 10 5 FCBELO CCOC(=O)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000599332191 492161816 /nfs/dbraw/zinc/16/18/16/492161816.db2.gz MKHGXSZNSAGESD-OAHLLOKOSA-N 1 2 365.386 0.667 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000599563096 492188053 /nfs/dbraw/zinc/18/80/53/492188053.db2.gz ICMVXTLHTGJBMY-WMLDXEAASA-N 1 2 363.370 0.964 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000599563096 492188055 /nfs/dbraw/zinc/18/80/55/492188055.db2.gz ICMVXTLHTGJBMY-WMLDXEAASA-N 1 2 363.370 0.964 10 5 FCBELO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599571211 492189678 /nfs/dbraw/zinc/18/96/78/492189678.db2.gz YRRULHFQEFBACG-INIZCTEOSA-N 1 2 351.359 0.822 10 5 FCBELO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599571211 492189680 /nfs/dbraw/zinc/18/96/80/492189680.db2.gz YRRULHFQEFBACG-INIZCTEOSA-N 1 2 351.359 0.822 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000599633527 492195247 /nfs/dbraw/zinc/19/52/47/492195247.db2.gz UUBPWUDDDMGXON-IMJJTQAJSA-N 1 2 370.427 0.986 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000599633527 492195249 /nfs/dbraw/zinc/19/52/49/492195249.db2.gz UUBPWUDDDMGXON-IMJJTQAJSA-N 1 2 370.427 0.986 10 5 FCBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000619871149 492280471 /nfs/dbraw/zinc/28/04/71/492280471.db2.gz ZCYSXIVOPCOLDF-AWEZNQCLSA-N 1 2 351.403 0.943 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000611219409 492282128 /nfs/dbraw/zinc/28/21/28/492282128.db2.gz JWPOPKQFAQBPEN-AWEZNQCLSA-N 1 2 355.420 0.266 10 5 FCBELO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593526391 546970303 /nfs/dbraw/zinc/97/03/03/546970303.db2.gz GOLFVQLJDBIJKY-TXEJJXNPSA-N 1 2 358.420 0.767 10 5 FCBELO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593526391 546970309 /nfs/dbraw/zinc/97/03/09/546970309.db2.gz GOLFVQLJDBIJKY-TXEJJXNPSA-N 1 2 358.420 0.767 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1C ZINC000917055711 667048954 /nfs/dbraw/zinc/04/89/54/667048954.db2.gz LKIZCGVUUBQDRM-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1C ZINC000917055711 667048957 /nfs/dbraw/zinc/04/89/57/667048957.db2.gz LKIZCGVUUBQDRM-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000762208016 667908525 /nfs/dbraw/zinc/90/85/25/667908525.db2.gz FCLYBPNNROXEGG-UHFFFAOYSA-N 1 2 356.404 0.229 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000842865220 670746831 /nfs/dbraw/zinc/74/68/31/670746831.db2.gz NZLBSVARSTVHBG-VIFPVBQESA-N 1 2 351.331 0.831 10 5 FCBELO CC(C)n1ccc(CN2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001266283239 1167854166 /nfs/dbraw/zinc/85/41/66/1167854166.db2.gz JWEBTQIXMDYBIT-HZPDHXFCSA-N 1 2 364.450 0.363 10 5 FCBELO CN(C)c1noc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 ZINC001481896001 1187546272 /nfs/dbraw/zinc/54/62/72/1187546272.db2.gz BTGBXDGOFWNTDI-GHMZBOCLSA-N 1 2 352.395 0.319 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001195721959 1208037087 /nfs/dbraw/zinc/03/70/87/1208037087.db2.gz SGBAFKWRPSIABI-CYBMUJFWSA-N 1 2 362.390 0.270 10 5 FCBELO Cn1ccnc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000776278992 1208489986 /nfs/dbraw/zinc/48/99/86/1208489986.db2.gz VMLUCPQOWGZIPQ-OAHLLOKOSA-N 1 2 359.386 0.544 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2c(F)cccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490492953 1209360252 /nfs/dbraw/zinc/36/02/52/1209360252.db2.gz UHTKONVFXPVLTH-MLGOLLRUSA-N 1 2 368.384 0.864 10 5 FCBELO COc1ccc(C(=O)NCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857989031 1209773034 /nfs/dbraw/zinc/77/30/34/1209773034.db2.gz NDRWBACIDSLPCD-NSHDSACASA-N 1 2 359.342 0.791 10 5 FCBELO COCC[N@H+](Cc1ccn(C)n1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277398372 1226017519 /nfs/dbraw/zinc/01/75/19/1226017519.db2.gz LSCIKHUURCPEKH-HZPDHXFCSA-N 1 2 365.434 0.525 10 5 FCBELO COCC[N@@H+](Cc1ccn(C)n1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277398372 1226017524 /nfs/dbraw/zinc/01/75/24/1226017524.db2.gz LSCIKHUURCPEKH-HZPDHXFCSA-N 1 2 365.434 0.525 10 5 FCBELO Nc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc(F)cc1[N+](=O)[O-] ZINC001137739287 1222427341 /nfs/dbraw/zinc/42/73/41/1222427341.db2.gz RBWCOHGNRMEIJX-LBPRGKRZSA-N 1 2 366.349 0.826 10 5 FCBELO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001137736750 1259378324 /nfs/dbraw/zinc/37/83/24/1259378324.db2.gz BKFJXAVPLRDEJS-HNNXBMFYSA-N 1 2 363.370 0.870 10 5 FCBELO Cc1cc(NC(=O)C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001283307880 1261677967 /nfs/dbraw/zinc/67/79/67/1261677967.db2.gz VOYLWNZJLSTBIJ-CHWSQXEVSA-N 1 2 365.390 0.510 10 5 FCBELO Cc1cc(NC(=O)C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001283307880 1261677971 /nfs/dbraw/zinc/67/79/71/1261677971.db2.gz VOYLWNZJLSTBIJ-CHWSQXEVSA-N 1 2 365.390 0.510 10 5 FCBELO CC1(C(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC=CC1 ZINC001283822390 1261711201 /nfs/dbraw/zinc/71/12/01/1261711201.db2.gz ITBCGLCMJIHKJR-HUUCEWRRSA-N 1 2 364.446 0.658 10 5 FCBELO CCCC1(C(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001294664317 1262738882 /nfs/dbraw/zinc/73/88/82/1262738882.db2.gz UTSNDCRYBQOFBH-HUUCEWRRSA-N 1 2 366.462 0.882 10 5 FCBELO Cc1nc(C)c(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001316957873 1263495070 /nfs/dbraw/zinc/49/50/70/1263495070.db2.gz IIOKALMYOYZHQA-HUUCEWRRSA-N 1 2 365.434 0.581 10 5 FCBELO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496013049 1263849061 /nfs/dbraw/zinc/84/90/61/1263849061.db2.gz NFBISPBBJPKYRZ-HUUCEWRRSA-N 1 2 357.370 0.726 10 5 FCBELO CC(C)c1noc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001502623843 1264179044 /nfs/dbraw/zinc/17/90/44/1264179044.db2.gz RFHMUTPABCJNLH-VXGBXAGGSA-N 1 2 367.406 0.613 10 5 FCBELO CCN(CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001523899528 1266667795 /nfs/dbraw/zinc/66/77/95/1266667795.db2.gz YNQIIOAPNZSMFV-ZIAGYGMSSA-N 1 2 365.434 0.947 10 5 FCBELO CC(C)(C)CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713281450 1287272735 /nfs/dbraw/zinc/27/27/35/1287272735.db2.gz FCRVNUBKUHIZAJ-VVSAWPALSA-N 1 2 352.435 0.250 10 5 FCBELO CC(C)(C)CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713281450 1287272736 /nfs/dbraw/zinc/27/27/36/1287272736.db2.gz FCRVNUBKUHIZAJ-VVSAWPALSA-N 1 2 352.435 0.250 10 5 FCBELO CN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1nccs1 ZINC001716681962 1287384825 /nfs/dbraw/zinc/38/48/25/1287384825.db2.gz ZNIVNPAZJYDXIA-NXEZZACHSA-N 1 2 353.404 0.010 10 5 FCBELO C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001703935170 1286164090 /nfs/dbraw/zinc/16/40/90/1286164090.db2.gz WWMGUBXQGZHRGX-QKPAOTATSA-N 1 2 360.414 0.547 10 5 FCBELO C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Cc1ccccc1 ZINC001703935170 1286164096 /nfs/dbraw/zinc/16/40/96/1286164096.db2.gz WWMGUBXQGZHRGX-QKPAOTATSA-N 1 2 360.414 0.547 10 5 FCBELO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1[N+](=O)[O-] ZINC001597146780 1286330763 /nfs/dbraw/zinc/33/07/63/1286330763.db2.gz AYWPNXHLXJLBEK-NSHDSACASA-N 1 2 351.363 0.390 10 5 FCBELO COc1ccc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001725016978 1288458879 /nfs/dbraw/zinc/45/88/79/1288458879.db2.gz HZGROVNBVVBMNW-ZIAGYGMSSA-N 1 2 364.402 0.199 10 5 FCBELO O=C(NCCC[NH+]1CCN(Cc2nccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731357110 1288553045 /nfs/dbraw/zinc/55/30/45/1288553045.db2.gz AWBKPIMXLMXKMM-CHWSQXEVSA-N 1 2 353.448 0.432 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCc1ccccc1F ZINC001731770644 1288564003 /nfs/dbraw/zinc/56/40/03/1288564003.db2.gz ZJVQQRNJFDEMAP-TZMCWYRMSA-N 1 2 352.366 0.155 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCc1ccccc1F ZINC001731770644 1288564007 /nfs/dbraw/zinc/56/40/07/1288564007.db2.gz ZJVQQRNJFDEMAP-TZMCWYRMSA-N 1 2 352.366 0.155 10 5 FCBELO COCc1noc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001733449446 1288611073 /nfs/dbraw/zinc/61/10/73/1288611073.db2.gz QLYVERVFRNZREU-VXGBXAGGSA-N 1 2 367.406 0.600 10 5 FCBELO CCn1cc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001733449025 1288611337 /nfs/dbraw/zinc/61/13/37/1288611337.db2.gz FMNCDIQJAHLXGN-ZIAGYGMSSA-N 1 2 350.423 0.682 10 5 FCBELO CC1(CCC(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001737331174 1289530064 /nfs/dbraw/zinc/53/00/64/1289530064.db2.gz CMRQVNIMHBQZFW-HUUCEWRRSA-N 1 2 366.462 0.882 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccsn1 ZINC001737332031 1289530818 /nfs/dbraw/zinc/53/08/18/1289530818.db2.gz HTADHFFABLVNOW-DGCLKSJQSA-N 1 2 367.431 0.072 10 5 FCBELO O=C(NC1(CCO)C[NH+](CCCc2ccsc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700490946 1289596704 /nfs/dbraw/zinc/59/67/04/1289596704.db2.gz QALDFRRDTVONAJ-ZIAGYGMSSA-N 1 2 353.444 0.899 10 5 FCBELO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487114 1289992473 /nfs/dbraw/zinc/99/24/73/1289992473.db2.gz PPWAQFYFUPAGOL-DCGLDWPTSA-N 1 2 368.386 0.987 10 5 FCBELO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487114 1289992481 /nfs/dbraw/zinc/99/24/81/1289992481.db2.gz PPWAQFYFUPAGOL-DCGLDWPTSA-N 1 2 368.386 0.987 10 5 FCBELO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487115 1289992926 /nfs/dbraw/zinc/99/29/26/1289992926.db2.gz PPWAQFYFUPAGOL-IGCXYCKISA-N 1 2 368.386 0.987 10 5 FCBELO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487115 1289992935 /nfs/dbraw/zinc/99/29/35/1289992935.db2.gz PPWAQFYFUPAGOL-IGCXYCKISA-N 1 2 368.386 0.987 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001652306783 1291273929 /nfs/dbraw/zinc/27/39/29/1291273929.db2.gz DHUPNQQZKUFIGR-UHFFFAOYSA-N 1 2 373.413 0.830 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001652306783 1291273935 /nfs/dbraw/zinc/27/39/35/1291273935.db2.gz DHUPNQQZKUFIGR-UHFFFAOYSA-N 1 2 373.413 0.830 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001655352287 1291465519 /nfs/dbraw/zinc/46/55/19/1291465519.db2.gz UXWJKQJNOUVKST-PHIMTYICSA-N 1 2 362.342 0.089 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001655352287 1291465527 /nfs/dbraw/zinc/46/55/27/1291465527.db2.gz UXWJKQJNOUVKST-PHIMTYICSA-N 1 2 362.342 0.089 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001656342885 1291511019 /nfs/dbraw/zinc/51/10/19/1291511019.db2.gz CSOKKVJFMQUSID-MNOVXSKESA-N 1 2 356.404 0.532 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001656342885 1291511024 /nfs/dbraw/zinc/51/10/24/1291511024.db2.gz CSOKKVJFMQUSID-MNOVXSKESA-N 1 2 356.404 0.532 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(-c2ccccc2)nn1 ZINC001660129778 1291653089 /nfs/dbraw/zinc/65/30/89/1291653089.db2.gz YGUBWSDJNLIOJG-HZPDHXFCSA-N 1 2 358.402 0.871 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(-c2ccccc2)nn1 ZINC001660129778 1291653097 /nfs/dbraw/zinc/65/30/97/1291653097.db2.gz YGUBWSDJNLIOJG-HZPDHXFCSA-N 1 2 358.402 0.871 10 5 FCBELO O=C(NC1(CCO)C[NH+](CCCCC(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276050565 861303067 /nfs/dbraw/zinc/30/30/67/861303067.db2.gz GVYLYHRPQRGIOP-GHMZBOCLSA-N 1 2 353.341 0.937 10 5 FCBELO CN(C(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001198326939 853250254 /nfs/dbraw/zinc/25/02/54/853250254.db2.gz KLEIJYMOIAYTHU-NSHDSACASA-N 1 2 356.404 0.168 10 5 FCBELO 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360.378 0.408 10 5 FCBELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173985980 488846735 /nfs/dbraw/zinc/84/67/35/488846735.db2.gz BIHICJHRZWQYRY-MRXNPFEDSA-N 1 2 360.414 0.890 10 5 FCBELO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000182233861 488864260 /nfs/dbraw/zinc/86/42/60/488864260.db2.gz SAKYTNKLWXIJMG-UONOGXRCSA-N 1 2 371.459 0.755 10 5 FCBELO C[C@@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000182233861 488864261 /nfs/dbraw/zinc/86/42/61/488864261.db2.gz SAKYTNKLWXIJMG-UONOGXRCSA-N 1 2 371.459 0.755 10 5 FCBELO O=C(C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289372359 489062324 /nfs/dbraw/zinc/06/23/24/489062324.db2.gz IKQKSXUYLHKECU-GFCCVEGCSA-N 1 2 372.385 0.775 10 5 FCBELO O=C(C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289372359 489062328 /nfs/dbraw/zinc/06/23/28/489062328.db2.gz IKQKSXUYLHKECU-GFCCVEGCSA-N 1 2 372.385 0.775 10 5 FCBELO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555527845 491252354 /nfs/dbraw/zinc/25/23/54/491252354.db2.gz UFHTZDJBDZBUTG-UHFFFAOYSA-N 1 2 358.420 0.615 10 5 FCBELO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555527845 491252355 /nfs/dbraw/zinc/25/23/55/491252355.db2.gz UFHTZDJBDZBUTG-UHFFFAOYSA-N 1 2 358.420 0.615 10 5 FCBELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363287287 489448736 /nfs/dbraw/zinc/44/87/36/489448736.db2.gz CYGCGQFUGSKGLU-UHFFFAOYSA-N 1 2 364.402 0.596 10 5 FCBELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363287287 489448738 /nfs/dbraw/zinc/44/87/38/489448738.db2.gz CYGCGQFUGSKGLU-UHFFFAOYSA-N 1 2 364.402 0.596 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000452102837 489546059 /nfs/dbraw/zinc/54/60/59/489546059.db2.gz JDPZSNPIPQCKJH-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000452102837 489546061 /nfs/dbraw/zinc/54/60/61/489546061.db2.gz JDPZSNPIPQCKJH-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416476519 489598485 /nfs/dbraw/zinc/59/84/85/489598485.db2.gz YIZLEIWIOUCSAP-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416476519 489598486 /nfs/dbraw/zinc/59/84/86/489598486.db2.gz YIZLEIWIOUCSAP-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416663509 489623710 /nfs/dbraw/zinc/62/37/10/489623710.db2.gz MCHXLUJNHORURZ-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416663509 489623714 /nfs/dbraw/zinc/62/37/14/489623714.db2.gz MCHXLUJNHORURZ-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416673165 489626138 /nfs/dbraw/zinc/62/61/38/489626138.db2.gz ZSSMVWDDCYNZSU-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416673165 489626140 /nfs/dbraw/zinc/62/61/40/489626140.db2.gz ZSSMVWDDCYNZSU-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416671048 489626175 /nfs/dbraw/zinc/62/61/75/489626175.db2.gz VGKZFNCBGWVVMH-GHMZBOCLSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416671048 489626176 /nfs/dbraw/zinc/62/61/76/489626176.db2.gz VGKZFNCBGWVVMH-GHMZBOCLSA-N 1 2 361.395 0.810 10 5 FCBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459645263 489743974 /nfs/dbraw/zinc/74/39/74/489743974.db2.gz LGAZKFGFQQQAFY-MEDUHNTESA-N 1 2 353.375 0.750 10 5 FCBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459645263 489743977 /nfs/dbraw/zinc/74/39/77/489743977.db2.gz LGAZKFGFQQQAFY-MEDUHNTESA-N 1 2 353.375 0.750 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000494293385 489880541 /nfs/dbraw/zinc/88/05/41/489880541.db2.gz OVGDSYOLJJIQQQ-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000494293385 489880546 /nfs/dbraw/zinc/88/05/46/489880546.db2.gz OVGDSYOLJJIQQQ-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000420971661 490037667 /nfs/dbraw/zinc/03/76/67/490037667.db2.gz IOCGSHUKWDIZPJ-LLVKDONJSA-N 1 2 371.337 0.728 10 5 FCBELO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000420971661 490037672 /nfs/dbraw/zinc/03/76/72/490037672.db2.gz IOCGSHUKWDIZPJ-LLVKDONJSA-N 1 2 371.337 0.728 10 5 FCBELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000408016274 490208514 /nfs/dbraw/zinc/20/85/14/490208514.db2.gz JCYJZOLHYQXTMU-HUUCEWRRSA-N 1 2 355.416 0.830 10 5 FCBELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000408016274 490208521 /nfs/dbraw/zinc/20/85/21/490208521.db2.gz JCYJZOLHYQXTMU-HUUCEWRRSA-N 1 2 355.416 0.830 10 5 FCBELO Cc1n[nH]c(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000408149778 490259658 /nfs/dbraw/zinc/25/96/58/490259658.db2.gz MPDQXSXBZCKMQU-NSHDSACASA-N 1 2 350.379 0.005 10 5 FCBELO Cc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000408149778 490259662 /nfs/dbraw/zinc/25/96/62/490259662.db2.gz MPDQXSXBZCKMQU-NSHDSACASA-N 1 2 350.379 0.005 10 5 FCBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000411374676 490442471 /nfs/dbraw/zinc/44/24/71/490442471.db2.gz NBENJRUPGWFLNZ-CYBMUJFWSA-N 1 2 364.402 0.675 10 5 FCBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000411374676 490442480 /nfs/dbraw/zinc/44/24/80/490442480.db2.gz NBENJRUPGWFLNZ-CYBMUJFWSA-N 1 2 364.402 0.675 10 5 FCBELO CC(=O)N1CC[NH+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485811606 490560687 /nfs/dbraw/zinc/56/06/87/490560687.db2.gz CKUMCUIQOOQBKK-UHFFFAOYSA-N 1 2 370.356 0.696 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1=O ZINC000543965064 490953228 /nfs/dbraw/zinc/95/32/28/490953228.db2.gz ZMIKSLGZMGSNCA-LBPRGKRZSA-N 1 2 373.373 0.458 10 5 FCBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2nnc(CO)c2C1 ZINC000573942992 491464841 /nfs/dbraw/zinc/46/48/41/491464841.db2.gz NFEYLBGWDVZSTF-UHFFFAOYSA-N 1 2 369.341 0.520 10 5 FCBELO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000575938920 491571774 /nfs/dbraw/zinc/57/17/74/491571774.db2.gz IVQGSGRSGXNWBB-HNNXBMFYSA-N 1 2 366.418 0.596 10 5 FCBELO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503825 491762834 /nfs/dbraw/zinc/76/28/34/491762834.db2.gz WWGGQYFAOVGTBB-CYBMUJFWSA-N 1 2 371.415 0.895 10 5 FCBELO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503825 491762835 /nfs/dbraw/zinc/76/28/35/491762835.db2.gz WWGGQYFAOVGTBB-CYBMUJFWSA-N 1 2 371.415 0.895 10 5 FCBELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595804850 491954976 /nfs/dbraw/zinc/95/49/76/491954976.db2.gz IEZOGABRWWZVRW-CXAGYDPISA-N 1 2 368.386 0.989 10 5 FCBELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595804850 491954978 /nfs/dbraw/zinc/95/49/78/491954978.db2.gz IEZOGABRWWZVRW-CXAGYDPISA-N 1 2 368.386 0.989 10 5 FCBELO COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598006894 492078394 /nfs/dbraw/zinc/07/83/94/492078394.db2.gz ZYBDSFOSRJKXFU-SMDDNHRTSA-N 1 2 360.326 0.841 10 5 FCBELO COc1cc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000599016105 492130936 /nfs/dbraw/zinc/13/09/36/492130936.db2.gz KPUBVQPUVDPMMX-UHFFFAOYSA-N 1 2 374.419 0.192 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000599267180 492151619 /nfs/dbraw/zinc/15/16/19/492151619.db2.gz SNAKIGRPWXBBPT-LBPRGKRZSA-N 1 2 351.388 0.793 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000599267180 492151620 /nfs/dbraw/zinc/15/16/20/492151620.db2.gz SNAKIGRPWXBBPT-LBPRGKRZSA-N 1 2 351.388 0.793 10 5 FCBELO COCC[N@@H+]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000599343343 492163037 /nfs/dbraw/zinc/16/30/37/492163037.db2.gz PKWXNXFLZVTMOK-UHFFFAOYSA-N 1 2 361.424 0.060 10 5 FCBELO COCC[N@H+]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000599343343 492163039 /nfs/dbraw/zinc/16/30/39/492163039.db2.gz PKWXNXFLZVTMOK-UHFFFAOYSA-N 1 2 361.424 0.060 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000599511216 492182470 /nfs/dbraw/zinc/18/24/70/492182470.db2.gz GOOAUKKZAVFIOD-CYBMUJFWSA-N 1 2 360.374 0.342 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000600419469 492268678 /nfs/dbraw/zinc/26/86/78/492268678.db2.gz JAICOAXJPKMYTH-GFCCVEGCSA-N 1 2 363.349 0.980 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000600419469 492268679 /nfs/dbraw/zinc/26/86/79/492268679.db2.gz JAICOAXJPKMYTH-GFCCVEGCSA-N 1 2 363.349 0.980 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000592531188 546953194 /nfs/dbraw/zinc/95/31/94/546953194.db2.gz SUXBSXIVFRSUMW-QWHCGFSZSA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000592531188 546953197 /nfs/dbraw/zinc/95/31/97/546953197.db2.gz SUXBSXIVFRSUMW-QWHCGFSZSA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(=O)OC)CC2)c1 ZINC000593020580 546962298 /nfs/dbraw/zinc/96/22/98/546962298.db2.gz NANMDVROZUPBNG-UHFFFAOYSA-N 1 2 352.343 0.881 10 5 FCBELO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000593339240 546967865 /nfs/dbraw/zinc/96/78/65/546967865.db2.gz GNZYAWGBWBPOLP-LBPRGKRZSA-N 1 2 353.375 0.369 10 5 FCBELO COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000593886611 546994619 /nfs/dbraw/zinc/99/46/19/546994619.db2.gz KRHSEEBVYJRQQK-UHFFFAOYSA-N 1 2 352.391 0.719 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)nc1 ZINC000594492537 547001063 /nfs/dbraw/zinc/00/10/63/547001063.db2.gz PSBRJIRYROKDEV-ZDUSSCGKSA-N 1 2 370.431 0.865 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000594774243 547008796 /nfs/dbraw/zinc/00/87/96/547008796.db2.gz ZFTZTTVZKUDFBE-YPMHNXCESA-N 1 2 356.404 0.210 10 5 FCBELO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CCO ZINC000839518603 668005046 /nfs/dbraw/zinc/00/50/46/668005046.db2.gz DISFOWULFLDPQY-JTQLQIEISA-N 1 2 370.793 0.712 10 5 FCBELO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1CCO ZINC000839518603 668005047 /nfs/dbraw/zinc/00/50/47/668005047.db2.gz DISFOWULFLDPQY-JTQLQIEISA-N 1 2 370.793 0.712 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000811466727 669753973 /nfs/dbraw/zinc/75/39/73/669753973.db2.gz XBFQTUQYSZCLIR-RUZDIDTESA-N 1 2 369.443 0.878 10 5 FCBELO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000843902776 670868551 /nfs/dbraw/zinc/86/85/51/670868551.db2.gz HBWSWPLJBYDSQW-SNVBAGLBSA-N 1 2 352.347 0.950 10 5 FCBELO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000843902776 670868557 /nfs/dbraw/zinc/86/85/57/670868557.db2.gz HBWSWPLJBYDSQW-SNVBAGLBSA-N 1 2 352.347 0.950 10 5 FCBELO Cc1cnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC001481467578 1186088331 /nfs/dbraw/zinc/08/83/31/1186088331.db2.gz AIKJFCIGVPZCBB-HUUCEWRRSA-N 1 2 362.434 0.026 10 5 FCBELO Cn1ncnc1C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001271805454 1190709754 /nfs/dbraw/zinc/70/97/54/1190709754.db2.gz AYYICHDNMVJFPT-HUUCEWRRSA-N 1 2 358.402 0.599 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H]1CO ZINC000913556471 1196844725 /nfs/dbraw/zinc/84/47/25/1196844725.db2.gz BIXFVCPYKMHBQU-CQSZACIVSA-N 1 2 364.402 0.180 10 5 FCBELO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H]1CO ZINC000913556471 1196844726 /nfs/dbraw/zinc/84/47/26/1196844726.db2.gz BIXFVCPYKMHBQU-CQSZACIVSA-N 1 2 364.402 0.180 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000862641825 1209917393 /nfs/dbraw/zinc/91/73/93/1209917393.db2.gz DRUBMGZJBZXHNG-KRWDZBQOSA-N 1 2 364.402 0.523 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000862641825 1209917397 /nfs/dbraw/zinc/91/73/97/1209917397.db2.gz DRUBMGZJBZXHNG-KRWDZBQOSA-N 1 2 364.402 0.523 10 5 FCBELO COc1cccc(C[NH+]2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1C ZINC001276050578 1211340228 /nfs/dbraw/zinc/34/02/28/1211340228.db2.gz HBFQZVIQTFDKRT-HUUCEWRRSA-N 1 2 363.414 0.722 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000777832750 1211662716 /nfs/dbraw/zinc/66/27/16/1211662716.db2.gz SUGIBYYIJIJYTH-JTQLQIEISA-N 1 2 368.346 0.792 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000777832750 1211662720 /nfs/dbraw/zinc/66/27/20/1211662720.db2.gz SUGIBYYIJIJYTH-JTQLQIEISA-N 1 2 368.346 0.792 10 5 FCBELO COC1(OC)CCOC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473761627 1261495012 /nfs/dbraw/zinc/49/50/12/1261495012.db2.gz CHMXEXUQRQQEIT-AWEZNQCLSA-N 1 2 374.415 0.736 10 5 FCBELO COC1(OC)CCOC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001473761628 1261495160 /nfs/dbraw/zinc/49/51/60/1261495160.db2.gz CHMXEXUQRQQEIT-CQSZACIVSA-N 1 2 374.415 0.736 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC2(CC2)C1 ZINC001294672544 1262740192 /nfs/dbraw/zinc/74/01/92/1262740192.db2.gz VPEFWVBXIWHUBI-HUUCEWRRSA-N 1 2 364.446 0.492 10 5 FCBELO Cc1conc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001479920733 1263415655 /nfs/dbraw/zinc/41/56/55/1263415655.db2.gz WUBJJSQFVFDXTG-UKRRQHHQSA-N 1 2 351.407 0.272 10 5 FCBELO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001322712361 1264249120 /nfs/dbraw/zinc/24/91/20/1264249120.db2.gz HVKUDESYWFJAHJ-UHFFFAOYSA-N 1 2 362.386 0.396 10 5 FCBELO Cc1[nH+]ccn1CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001334051017 1266794788 /nfs/dbraw/zinc/79/47/88/1266794788.db2.gz QJCWJVMLMIOFDL-CHWSQXEVSA-N 1 2 351.407 0.458 10 5 FCBELO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001528845253 1267000419 /nfs/dbraw/zinc/00/04/19/1267000419.db2.gz MYHGCAHWRYBPAU-ZIAGYGMSSA-N 1 2 359.386 0.886 10 5 FCBELO CS(=O)(=O)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001569400763 1269781589 /nfs/dbraw/zinc/78/15/89/1269781589.db2.gz XRZSZFGUMMXTMP-GHMZBOCLSA-N 1 2 357.388 0.087 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccccc1 ZINC001577824001 1274933539 /nfs/dbraw/zinc/93/35/39/1274933539.db2.gz JOKKXGZLQOYHMB-HZPDHXFCSA-N 1 2 360.414 0.616 10 5 FCBELO CC(C)(C)OCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001577832249 1274943261 /nfs/dbraw/zinc/94/32/61/1274943261.db2.gz WQXKKJOHIDFISH-ZIAGYGMSSA-N 1 2 370.450 0.117 10 5 FCBELO O=C(NCCC[N@H+](Cc1nnc2n1CCCC2)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713037069 1287260777 /nfs/dbraw/zinc/26/07/77/1287260777.db2.gz KRFLHZLLSAPGPZ-ZIAGYGMSSA-N 1 2 362.434 0.750 10 5 FCBELO O=C(NCCC[N@@H+](Cc1nnc2n1CCCC2)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713037069 1287260782 /nfs/dbraw/zinc/26/07/82/1287260782.db2.gz KRFLHZLLSAPGPZ-ZIAGYGMSSA-N 1 2 362.434 0.750 10 5 FCBELO Cc1noc(C)c1C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713074121 1287263818 /nfs/dbraw/zinc/26/38/18/1287263818.db2.gz KCVGITDYXZAZJF-UKRRQHHQSA-N 1 2 351.407 0.190 10 5 FCBELO O=C(NCC1([NH2+]Cc2noc3c2COCC3)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714493019 1287323105 /nfs/dbraw/zinc/32/31/05/1287323105.db2.gz DQUNULIGLNLSCA-BXUZGUMPSA-N 1 2 364.402 0.931 10 5 FCBELO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001581082035 1279344058 /nfs/dbraw/zinc/34/40/58/1279344058.db2.gz BZARZVPVEWKGPW-ZIAGYGMSSA-N 1 2 363.418 0.392 10 5 FCBELO CCN(CC[NH2+]Cc1nc(CC(F)(F)F)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715731299 1287360394 /nfs/dbraw/zinc/36/03/94/1287360394.db2.gz MKFBWKAIJZGJKY-RKDXNWHRSA-N 1 2 365.312 0.778 10 5 FCBELO O=C(NCC1([NH2+]Cc2cn(-c3ccccc3)nn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716680899 1287384923 /nfs/dbraw/zinc/38/49/23/1287384923.db2.gz CNMMXLJUZQZMKG-HUUCEWRRSA-N 1 2 356.386 0.671 10 5 FCBELO CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)Cc1c[nH+]cn1C ZINC001581832925 1280581485 /nfs/dbraw/zinc/58/14/85/1280581485.db2.gz JZUGBXMENGIIBU-HUUCEWRRSA-N 1 2 363.418 0.325 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@H](CO)C1 ZINC001641533784 1282959556 /nfs/dbraw/zinc/95/95/56/1282959556.db2.gz ORRSJLBSFRXXGJ-LBPRGKRZSA-N 1 2 363.349 0.668 10 5 FCBELO C[N@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@H](CO)C1 ZINC001641533784 1282959571 /nfs/dbraw/zinc/95/95/71/1282959571.db2.gz ORRSJLBSFRXXGJ-LBPRGKRZSA-N 1 2 363.349 0.668 10 5 FCBELO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC001642501430 1283014550 /nfs/dbraw/zinc/01/45/50/1283014550.db2.gz IGGNZIKSNIGKMQ-MRXNPFEDSA-N 1 2 373.413 0.897 10 5 FCBELO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC001642501430 1283014564 /nfs/dbraw/zinc/01/45/64/1283014564.db2.gz IGGNZIKSNIGKMQ-MRXNPFEDSA-N 1 2 373.413 0.897 10 5 FCBELO CC(C)n1ccc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001725016061 1288458699 /nfs/dbraw/zinc/45/86/99/1288458699.db2.gz ACUFUCHCKGDZFA-HUUCEWRRSA-N 1 2 365.434 0.572 10 5 FCBELO O=C(Cc1ccoc1)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001737329860 1289530893 /nfs/dbraw/zinc/53/08/93/1289530893.db2.gz DZAARQPCKWJZGM-HUUCEWRRSA-N 1 2 364.402 0.138 10 5 FCBELO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001737798330 1289589071 /nfs/dbraw/zinc/58/90/71/1289589071.db2.gz SRIXVGSHGJDELV-IUODEOHRSA-N 1 2 363.418 0.392 10 5 FCBELO C[C@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001620644129 1290012534 /nfs/dbraw/zinc/01/25/34/1290012534.db2.gz ZWQZOGKOPGSSBW-HEHGZKQESA-N 1 2 370.427 0.701 10 5 FCBELO C[C@]12C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001620644129 1290012545 /nfs/dbraw/zinc/01/25/45/1290012545.db2.gz ZWQZOGKOPGSSBW-HEHGZKQESA-N 1 2 370.427 0.701 10 5 FCBELO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001623676351 1290228879 /nfs/dbraw/zinc/22/88/79/1290228879.db2.gz DMLSRQXSJIRHJR-HNNXBMFYSA-N 1 2 363.370 0.870 10 5 FCBELO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628386344 1290529542 /nfs/dbraw/zinc/52/95/42/1290529542.db2.gz UGURLXCIHDKAHG-LLVKDONJSA-N 1 2 354.794 0.857 10 5 FCBELO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628386344 1290529545 /nfs/dbraw/zinc/52/95/45/1290529545.db2.gz UGURLXCIHDKAHG-LLVKDONJSA-N 1 2 354.794 0.857 10 5 FCBELO Cc1csc(NC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001673434057 1292107705 /nfs/dbraw/zinc/10/77/05/1292107705.db2.gz COWYTCSHPPLZNW-VXGBXAGGSA-N 1 2 369.447 0.836 10 5 FCBELO Cc1csc(NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001673434057 1292107707 /nfs/dbraw/zinc/10/77/07/1292107707.db2.gz COWYTCSHPPLZNW-VXGBXAGGSA-N 1 2 369.447 0.836 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751419768 836486516 /nfs/dbraw/zinc/48/65/16/836486516.db2.gz XFGXSEZSCFHRBB-OAHLLOKOSA-N 1 2 369.443 0.980 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCCCC2 ZINC001265842989 859467239 /nfs/dbraw/zinc/46/72/39/859467239.db2.gz RWLQTTXDWDUCJT-CHWSQXEVSA-N 1 2 350.423 0.608 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCCCC2 ZINC001265842989 859467244 /nfs/dbraw/zinc/46/72/44/859467244.db2.gz RWLQTTXDWDUCJT-CHWSQXEVSA-N 1 2 350.423 0.608 10 5 FCBELO CN(CC[N@H+](C)CC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272012902 860062912 /nfs/dbraw/zinc/06/29/12/860062912.db2.gz CAQRIRDPLKQMSJ-HUUCEWRRSA-N 1 2 354.451 0.833 10 5 FCBELO CN(CC[N@@H+](C)CC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272012902 860062921 /nfs/dbraw/zinc/06/29/21/860062921.db2.gz CAQRIRDPLKQMSJ-HUUCEWRRSA-N 1 2 354.451 0.833 10 5 FCBELO CC(C)N(CC[N@H+](C)CC(=O)NCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284532928 864573316 /nfs/dbraw/zinc/57/33/16/864573316.db2.gz AMJJGXMSJGQOIT-ZIAGYGMSSA-N 1 2 356.467 0.983 10 5 FCBELO CC(C)N(CC[N@@H+](C)CC(=O)NCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284532928 864573319 /nfs/dbraw/zinc/57/33/19/864573319.db2.gz AMJJGXMSJGQOIT-ZIAGYGMSSA-N 1 2 356.467 0.983 10 5 FCBELO CC(C)c1[nH+]ccn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285368279 864624517 /nfs/dbraw/zinc/62/45/17/864624517.db2.gz UBGMIOTWXRWGCT-CHWSQXEVSA-N 1 2 351.407 0.589 10 5 FCBELO O=C(NC1(CO)CC[NH+](Cc2ccc(F)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001328531510 871485589 /nfs/dbraw/zinc/48/55/89/871485589.db2.gz XNXFUYVPUWTZEL-ZIAGYGMSSA-N 1 2 352.366 0.329 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000360447948 215360809 /nfs/dbraw/zinc/36/08/09/215360809.db2.gz MSKOLXBJWXAKQH-JKSUJKDBSA-N 1 2 369.443 0.956 10 5 FCBELO CN1CCO[C@@H]2CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867279 213238261 /nfs/dbraw/zinc/23/82/61/213238261.db2.gz SJFXUABPSMJXAX-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO CN1CCO[C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867279 213238264 /nfs/dbraw/zinc/23/82/64/213238264.db2.gz SJFXUABPSMJXAX-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867279 213238268 /nfs/dbraw/zinc/23/82/68/213238268.db2.gz SJFXUABPSMJXAX-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@H+]1CCO[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867279 213238271 /nfs/dbraw/zinc/23/82/71/213238271.db2.gz SJFXUABPSMJXAX-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263261413 209712493 /nfs/dbraw/zinc/71/24/93/209712493.db2.gz RAVXREDIBAJYNJ-ZDUSSCGKSA-N 1 2 368.340 0.876 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367479177 216128519 /nfs/dbraw/zinc/12/85/19/216128519.db2.gz BGMLBNIUVNWREY-VIFPVBQESA-N 1 2 351.331 0.831 10 5 FCBELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000181688703 209120114 /nfs/dbraw/zinc/12/01/14/209120114.db2.gz OCPWWINUWROLQK-GFCCVEGCSA-N 1 2 369.378 0.803 10 5 FCBELO C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000425289265 247315635 /nfs/dbraw/zinc/31/56/35/247315635.db2.gz CVKWHWPYAKIOMS-NEPJUHHUSA-N 1 2 355.366 0.647 10 5 FCBELO COc1cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000271214372 211356771 /nfs/dbraw/zinc/35/67/71/211356771.db2.gz WCGGCAWGGZLXAN-LLVKDONJSA-N 1 2 359.404 0.736 10 5 FCBELO COc1cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000271214372 211356776 /nfs/dbraw/zinc/35/67/76/211356776.db2.gz WCGGCAWGGZLXAN-LLVKDONJSA-N 1 2 359.404 0.736 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000269760605 211068438 /nfs/dbraw/zinc/06/84/38/211068438.db2.gz CAGRKDRKEXGZBU-LBPRGKRZSA-N 1 2 373.431 0.681 10 5 FCBELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000082985427 208104982 /nfs/dbraw/zinc/10/49/82/208104982.db2.gz CGYYSVPLJLZHPB-CYBMUJFWSA-N 1 2 362.386 0.841 10 5 FCBELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 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Cc1ccc(CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001496702802 1263888444 /nfs/dbraw/zinc/88/84/44/1263888444.db2.gz ZOGCKQCFNGUQCJ-HUUCEWRRSA-N 1 2 366.418 0.602 10 5 FCBELO Cc1ccc(CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001496702802 1263888458 /nfs/dbraw/zinc/88/84/58/1263888458.db2.gz ZOGCKQCFNGUQCJ-HUUCEWRRSA-N 1 2 366.418 0.602 10 5 FCBELO CN(CCC[N@H+](C)Cc1cn(C(C)(C)C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502192837 1264163116 /nfs/dbraw/zinc/16/31/16/1264163116.db2.gz GUKSEKHPXDQTQI-ZIAGYGMSSA-N 1 2 352.439 0.979 10 5 FCBELO CN(CCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502192837 1264163122 /nfs/dbraw/zinc/16/31/22/1264163122.db2.gz GUKSEKHPXDQTQI-ZIAGYGMSSA-N 1 2 352.439 0.979 10 5 FCBELO Cc1cnc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001505375086 1264269719 /nfs/dbraw/zinc/26/97/19/1264269719.db2.gz AVBBGZHMRJTPHL-VXGBXAGGSA-N 1 2 354.432 0.560 10 5 FCBELO 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CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2[nH]ccc2n1 ZINC001567424914 1269693488 /nfs/dbraw/zinc/69/34/88/1269693488.db2.gz CVYZHDRHEMSPHS-CHWSQXEVSA-N 1 2 362.390 0.016 10 5 FCBELO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2[nH]ccc2n1 ZINC001567424914 1269693491 /nfs/dbraw/zinc/69/34/91/1269693491.db2.gz CVYZHDRHEMSPHS-CHWSQXEVSA-N 1 2 362.390 0.016 10 5 FCBELO CN(CC[N@H+](C)CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480765 1269733916 /nfs/dbraw/zinc/73/39/16/1269733916.db2.gz RZKQOLWBLLRAIG-ZIAGYGMSSA-N 1 2 352.366 0.820 10 5 FCBELO CN(CC[N@@H+](C)CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480765 1269733927 /nfs/dbraw/zinc/73/39/27/1269733927.db2.gz RZKQOLWBLLRAIG-ZIAGYGMSSA-N 1 2 352.366 0.820 10 5 FCBELO Cc1n[nH]c(C)c1NC(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001713556711 1287285308 /nfs/dbraw/zinc/28/53/08/1287285308.db2.gz XVGXQIPJBBRGJM-CHWSQXEVSA-N 1 2 364.406 0.211 10 5 FCBELO 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C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271754615 211459983 /nfs/dbraw/zinc/45/99/83/211459983.db2.gz UEXOWNGJESMFTN-KBPBESRZSA-N 1 2 366.418 0.990 10 5 FCBELO O=C(C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1)N1CCCC1 ZINC000472236498 250140749 /nfs/dbraw/zinc/14/07/49/250140749.db2.gz CVBGMQAOSWXOPE-OAHLLOKOSA-N 1 2 351.407 0.895 10 5 FCBELO O=C(C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1)N1CCCC1 ZINC000472236498 250140753 /nfs/dbraw/zinc/14/07/53/250140753.db2.gz CVBGMQAOSWXOPE-OAHLLOKOSA-N 1 2 351.407 0.895 10 5 FCBELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000178969323 209070535 /nfs/dbraw/zinc/07/05/35/209070535.db2.gz POIJLYSQQPITDA-OAHLLOKOSA-N 1 2 359.430 0.925 10 5 FCBELO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363699542 488875294 /nfs/dbraw/zinc/87/52/94/488875294.db2.gz RKDZQKHGVKUEOF-UHFFFAOYSA-N 1 2 364.402 0.596 10 5 FCBELO CN(C)C(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363699542 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489052821 /nfs/dbraw/zinc/05/28/21/489052821.db2.gz AQCSQEHCCTVBLI-UHFFFAOYSA-N 1 2 350.375 0.497 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000365238527 489052824 /nfs/dbraw/zinc/05/28/24/489052824.db2.gz AQCSQEHCCTVBLI-UHFFFAOYSA-N 1 2 350.375 0.497 10 5 FCBELO Cn1ccc(NC(=O)CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000425268926 489519252 /nfs/dbraw/zinc/51/92/52/489519252.db2.gz QDUAIAVMMONLTQ-UHFFFAOYSA-N 1 2 374.401 1.211 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000452105715 489546615 /nfs/dbraw/zinc/54/66/15/489546615.db2.gz MSBALOJFJCJSTR-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000452105715 489546616 /nfs/dbraw/zinc/54/66/16/489546616.db2.gz MSBALOJFJCJSTR-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000452106612 489546767 /nfs/dbraw/zinc/54/67/67/489546767.db2.gz QKYSPLITUMSWBY-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000452106612 489546769 /nfs/dbraw/zinc/54/67/69/489546769.db2.gz QKYSPLITUMSWBY-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427442123 489608559 /nfs/dbraw/zinc/60/85/59/489608559.db2.gz OILUVKOBHINYMV-GFCCVEGCSA-N 1 2 364.402 0.675 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427442123 489608562 /nfs/dbraw/zinc/60/85/62/489608562.db2.gz OILUVKOBHINYMV-GFCCVEGCSA-N 1 2 364.402 0.675 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427442124 489608802 /nfs/dbraw/zinc/60/88/02/489608802.db2.gz OILUVKOBHINYMV-LBPRGKRZSA-N 1 2 364.402 0.675 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427442124 489608804 /nfs/dbraw/zinc/60/88/04/489608804.db2.gz OILUVKOBHINYMV-LBPRGKRZSA-N 1 2 364.402 0.675 10 5 FCBELO 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/nfs/dbraw/zinc/88/46/31/489884631.db2.gz XCFCXFBJKZGTHC-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000494348841 489885550 /nfs/dbraw/zinc/88/55/50/489885550.db2.gz MYQQWJHECQRDQQ-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000494348841 489885553 /nfs/dbraw/zinc/88/55/53/489885553.db2.gz MYQQWJHECQRDQQ-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nnnn1CC1CCOCC1)CC2 ZINC000444678919 490106268 /nfs/dbraw/zinc/10/62/68/490106268.db2.gz KZKCOIKMHNVCIJ-UHFFFAOYSA-N 1 2 359.390 0.961 10 5 FCBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnnn1CC1CCOCC1)CC2 ZINC000444678919 490106274 /nfs/dbraw/zinc/10/62/74/490106274.db2.gz KZKCOIKMHNVCIJ-UHFFFAOYSA-N 1 2 359.390 0.961 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000533435590 490234044 /nfs/dbraw/zinc/23/40/44/490234044.db2.gz MBOUTZGEHYDUBY-PWSUYJOCSA-N 1 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COc1ccc(OCC[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595765141 491953040 /nfs/dbraw/zinc/95/30/40/491953040.db2.gz XSHDRHPKSOVREZ-GFCCVEGCSA-N 1 2 373.431 0.948 10 5 FCBELO COc1ccc(OCC[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595765141 491953043 /nfs/dbraw/zinc/95/30/43/491953043.db2.gz XSHDRHPKSOVREZ-GFCCVEGCSA-N 1 2 373.431 0.948 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595786913 491953422 /nfs/dbraw/zinc/95/34/22/491953422.db2.gz CEDWNAKDIZDLHZ-CFVMTHIKSA-N 1 2 356.400 0.847 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595786913 491953424 /nfs/dbraw/zinc/95/34/24/491953424.db2.gz CEDWNAKDIZDLHZ-CFVMTHIKSA-N 1 2 356.400 0.847 10 5 FCBELO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)ccc1[N+](=O)[O-] ZINC000595782466 491953540 /nfs/dbraw/zinc/95/35/40/491953540.db2.gz APIFCIVQCDVQTR-GLQYFDAESA-N 1 2 356.400 0.847 10 5 FCBELO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)ccc1[N+](=O)[O-] ZINC000595782466 491953543 /nfs/dbraw/zinc/95/35/43/491953543.db2.gz APIFCIVQCDVQTR-GLQYFDAESA-N 1 2 356.400 0.847 10 5 FCBELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596552164 491990461 /nfs/dbraw/zinc/99/04/61/491990461.db2.gz RWMHFGCIBAZIQL-CQSZACIVSA-N 1 2 357.418 0.617 10 5 FCBELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596552164 491990463 /nfs/dbraw/zinc/99/04/63/491990463.db2.gz RWMHFGCIBAZIQL-CQSZACIVSA-N 1 2 357.418 0.617 10 5 FCBELO COc1ccc(C(=O)NCC(=O)Nc2cc[nH+]cc2N(C)C)cc1[N+](=O)[O-] ZINC000614050567 492011796 /nfs/dbraw/zinc/01/17/96/492011796.db2.gz LYYQVNDLSGQRCY-UHFFFAOYSA-N 1 2 373.369 0.855 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599130795 492137478 /nfs/dbraw/zinc/13/74/78/492137478.db2.gz LCTVDUQAPOYDQJ-INIZCTEOSA-N 1 2 362.390 0.665 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599130795 492137479 /nfs/dbraw/zinc/13/74/79/492137479.db2.gz LCTVDUQAPOYDQJ-INIZCTEOSA-N 1 2 362.390 0.665 10 5 FCBELO NC(=O)C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000599188926 492140506 /nfs/dbraw/zinc/14/05/06/492140506.db2.gz XRDQSMHPZHZSEN-AWEZNQCLSA-N 1 2 364.402 0.508 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599194378 492140687 /nfs/dbraw/zinc/14/06/87/492140687.db2.gz LENMGTVCINRYJQ-CQSZACIVSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599194378 492140688 /nfs/dbraw/zinc/14/06/88/492140688.db2.gz LENMGTVCINRYJQ-CQSZACIVSA-N 1 2 363.418 0.757 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000599204580 492141620 /nfs/dbraw/zinc/14/16/20/492141620.db2.gz NJVSRQHRZAKRNG-SECBINFHSA-N 1 2 359.433 0.971 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000599283509 492154193 /nfs/dbraw/zinc/15/41/93/492154193.db2.gz XFCCMXRFGHAGAT-UHFFFAOYSA-N 1 2 368.297 0.566 10 5 FCBELO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000599455332 492174785 /nfs/dbraw/zinc/17/47/85/492174785.db2.gz MOKPXQPVRFCMAP-UHFFFAOYSA-N 1 2 370.431 0.865 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599563253 492187707 /nfs/dbraw/zinc/18/77/07/492187707.db2.gz BPWTZTJKWVMBAR-QGZVFWFLSA-N 1 2 363.370 0.748 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599563253 492187708 /nfs/dbraw/zinc/18/77/08/492187708.db2.gz BPWTZTJKWVMBAR-QGZVFWFLSA-N 1 2 363.370 0.748 10 5 FCBELO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599694427 492199874 /nfs/dbraw/zinc/19/98/74/492199874.db2.gz TYLOZVKAJYJEBV-LBPRGKRZSA-N 1 2 370.431 0.795 10 5 FCBELO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599694427 492199875 /nfs/dbraw/zinc/19/98/75/492199875.db2.gz TYLOZVKAJYJEBV-LBPRGKRZSA-N 1 2 370.431 0.795 10 5 FCBELO O=[N+]([O-])c1cnccc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000609965575 492230347 /nfs/dbraw/zinc/23/03/47/492230347.db2.gz MQYXKOHONURCGZ-UHFFFAOYSA-N 1 2 371.401 0.943 10 5 FCBELO O=[N+]([O-])c1cnccc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000609965575 492230350 /nfs/dbraw/zinc/23/03/50/492230350.db2.gz MQYXKOHONURCGZ-UHFFFAOYSA-N 1 2 371.401 0.943 10 5 FCBELO CNc1nccc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000600367381 492264876 /nfs/dbraw/zinc/26/48/76/492264876.db2.gz SVAPLZNCATYVLT-UHFFFAOYSA-N 1 2 373.417 0.939 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000619485959 492265623 /nfs/dbraw/zinc/26/56/23/492265623.db2.gz ZSMZUFBOHSEZLL-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000611235300 492282486 /nfs/dbraw/zinc/28/24/86/492282486.db2.gz HNNPYNFYQZVJGQ-LBPRGKRZSA-N 1 2 373.431 0.538 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000593566673 546977021 /nfs/dbraw/zinc/97/70/21/546977021.db2.gz NWEIXHSSAIRBDN-UONOGXRCSA-N 1 2 370.431 0.912 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000594759641 547006164 /nfs/dbraw/zinc/00/61/64/547006164.db2.gz HPOGKLGNMXBMKI-UHFFFAOYSA-N 1 2 356.404 0.475 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000594764800 547006492 /nfs/dbraw/zinc/00/64/92/547006492.db2.gz SHKJNTJULYNECW-OLZOCXBDSA-N 1 2 370.431 0.912 10 5 FCBELO COc1c(C)[nH+]cnc1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594545168 547374476 /nfs/dbraw/zinc/37/44/76/547374476.db2.gz FHKCVNVGQULZMV-UHFFFAOYSA-N 1 2 367.387 1.092 10 5 FCBELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C)c1[N+](=O)[O-] ZINC000917067159 667053552 /nfs/dbraw/zinc/05/35/52/667053552.db2.gz XLSDQNYCNZEYBN-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(C)c1[N+](=O)[O-] ZINC000917067159 667053556 /nfs/dbraw/zinc/05/35/56/667053556.db2.gz XLSDQNYCNZEYBN-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cn1c[nH+]cc1COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000771616760 668262595 /nfs/dbraw/zinc/26/25/95/668262595.db2.gz OKBKQQLZCLTCQV-UHFFFAOYSA-N 1 2 368.371 0.740 10 5 FCBELO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001174940258 1206297681 /nfs/dbraw/zinc/29/76/81/1206297681.db2.gz CVXAHBWDXYEYSD-LBPRGKRZSA-N 1 2 356.342 0.837 10 5 FCBELO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001174940258 1206297683 /nfs/dbraw/zinc/29/76/83/1206297683.db2.gz CVXAHBWDXYEYSD-LBPRGKRZSA-N 1 2 356.342 0.837 10 5 FCBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(COCCO)CC1 ZINC001197920248 1208205627 /nfs/dbraw/zinc/20/56/27/1208205627.db2.gz AKOMHUWKQKWAHX-CYBMUJFWSA-N 1 2 367.402 0.758 10 5 FCBELO O=C(COc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870072692 1210106510 /nfs/dbraw/zinc/10/65/10/1210106510.db2.gz KFEQFBQAUCWKFR-MRXNPFEDSA-N 1 2 365.386 0.533 10 5 FCBELO Cn1ccnc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000749685173 1219806794 /nfs/dbraw/zinc/80/67/94/1219806794.db2.gz BRCHAKHGRLEQPL-HNNXBMFYSA-N 1 2 359.386 0.544 10 5 FCBELO C[NH+](C)Cc1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000941008176 1246428080 /nfs/dbraw/zinc/42/80/80/1246428080.db2.gz ZJVKQHCMWDKVMW-TZMCWYRMSA-N 1 2 365.390 0.076 10 5 FCBELO CN(C)c1ccccc1C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001329656979 1265801546 /nfs/dbraw/zinc/80/15/46/1265801546.db2.gz VWKVBAQULMNECT-GDBMZVCRSA-N 1 2 362.430 0.471 10 5 FCBELO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC001251660291 1259754407 /nfs/dbraw/zinc/75/44/07/1259754407.db2.gz NQZWPIYRPYZDED-CQSZACIVSA-N 1 2 364.450 0.942 10 5 FCBELO CC(C)c1nnc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)[nH]1 ZINC001281241950 1261097260 /nfs/dbraw/zinc/09/72/60/1261097260.db2.gz LCLCIBLXVYVCPA-VXGBXAGGSA-N 1 2 366.422 0.348 10 5 FCBELO Cc1c[nH+]cn1CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001285159159 1261817775 /nfs/dbraw/zinc/81/77/75/1261817775.db2.gz CRQAKFYAEJHXBQ-HUUCEWRRSA-N 1 2 363.418 0.602 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(-c2ccccc2)n1 ZINC001316824314 1263492282 /nfs/dbraw/zinc/49/22/82/1263492282.db2.gz WRHQKFKDRZOWNW-HZPDHXFCSA-N 1 2 358.402 0.871 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(-c2ccccc2)n1 ZINC001316824314 1263492286 /nfs/dbraw/zinc/49/22/86/1263492286.db2.gz WRHQKFKDRZOWNW-HZPDHXFCSA-N 1 2 358.402 0.871 10 5 FCBELO CCCn1nnnc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001500424882 1264066718 /nfs/dbraw/zinc/06/67/18/1264066718.db2.gz VOVVPHAIQFWUDZ-CHWSQXEVSA-N 1 2 365.438 0.467 10 5 FCBELO CC(C)N(CCN(C)C(=O)CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001511705768 1264578642 /nfs/dbraw/zinc/57/86/42/1264578642.db2.gz CMYZETKZXROWIB-HUUCEWRRSA-N 1 2 370.450 0.069 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCCCC1 ZINC001524040985 1266676805 /nfs/dbraw/zinc/67/68/05/1266676805.db2.gz LZZANZIJHMPVTM-HZPDHXFCSA-N 1 2 366.462 0.882 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccccn1 ZINC001524041124 1266677149 /nfs/dbraw/zinc/67/71/49/1266677149.db2.gz OGLYDOVNJNQNMZ-UKRRQHHQSA-N 1 2 361.402 0.011 10 5 FCBELO Cn1c[nH+]c(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001527794001 1266924365 /nfs/dbraw/zinc/92/43/65/1266924365.db2.gz JFWUCRGWWCJNLW-GFCCVEGCSA-N 1 2 361.358 0.885 10 5 FCBELO O=C(Cc1cn2c([nH+]1)CCCC2)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001533493634 1267220155 /nfs/dbraw/zinc/22/01/55/1267220155.db2.gz QHZLLTJFAYNJKL-GWSUEFFPSA-N 1 2 361.402 0.216 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@@H](CO)C1 ZINC001557710518 1268970466 /nfs/dbraw/zinc/97/04/66/1268970466.db2.gz DOLDESXWAATWSK-MRXNPFEDSA-N 1 2 359.386 0.588 10 5 FCBELO C[N@H+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@@H](CO)C1 ZINC001557710518 1268970480 /nfs/dbraw/zinc/97/04/80/1268970480.db2.gz DOLDESXWAATWSK-MRXNPFEDSA-N 1 2 359.386 0.588 10 5 FCBELO CC(C)Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001570103941 1269839014 /nfs/dbraw/zinc/83/90/14/1269839014.db2.gz NTUHBWBGCYQTAB-CHWSQXEVSA-N 1 2 350.423 0.728 10 5 FCBELO O=C(NC1(C[NH2+]Cc2ncnn2CCF)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570796675 1269914727 /nfs/dbraw/zinc/91/47/27/1269914727.db2.gz ZNXCKBLYLWHHGX-CHWSQXEVSA-N 1 2 368.413 0.822 10 5 FCBELO CN(CCC[N@H+](C)Cc1nnc2n1CCCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717206136 1287411407 /nfs/dbraw/zinc/41/14/07/1287411407.db2.gz CHHLSEUAQLARQR-ZIAGYGMSSA-N 1 2 364.450 0.950 10 5 FCBELO CN(CCC[N@@H+](C)Cc1nnc2n1CCCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717206136 1287411413 /nfs/dbraw/zinc/41/14/13/1287411413.db2.gz CHHLSEUAQLARQR-ZIAGYGMSSA-N 1 2 364.450 0.950 10 5 FCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001583405162 1282087680 /nfs/dbraw/zinc/08/76/80/1282087680.db2.gz JLOQQCJSBWUCFP-UHFFFAOYSA-N 1 2 364.402 0.909 10 5 FCBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001641140538 1282925644 /nfs/dbraw/zinc/92/56/44/1282925644.db2.gz CIPFDUNONPWDMD-CYBMUJFWSA-N 1 2 353.342 0.786 10 5 FCBELO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001641457371 1282953050 /nfs/dbraw/zinc/95/30/50/1282953050.db2.gz GKQQYIGELOSVLE-AWEZNQCLSA-N 1 2 356.342 0.977 10 5 FCBELO Cc1ccc(C(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001703773628 1286138850 /nfs/dbraw/zinc/13/88/50/1286138850.db2.gz IHQZCFWZJOGXLB-ZIAGYGMSSA-N 1 2 364.402 0.517 10 5 FCBELO O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(-n2cc[nH+]c2)ccn1 ZINC001720273163 1288217513 /nfs/dbraw/zinc/21/75/13/1288217513.db2.gz NKXKIRRMUMQPCZ-TZMCWYRMSA-N 1 2 358.358 0.169 10 5 FCBELO CC/C=C(\C)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001720674380 1288250016 /nfs/dbraw/zinc/25/00/16/1288250016.db2.gz YHYIXMLDKSILNM-HMBIXPHWSA-N 1 2 352.435 0.658 10 5 FCBELO O=C(NC1(CCO)C[NH+](CCCc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734071278 1288640953 /nfs/dbraw/zinc/64/09/53/1288640953.db2.gz WYKIZQSIEPFMNR-HZPDHXFCSA-N 1 2 365.405 0.977 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)c2cc(F)c[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737331669 1289529779 /nfs/dbraw/zinc/52/97/79/1289529779.db2.gz XQMOALBWLYWGLF-TZMCWYRMSA-N 1 2 367.381 0.083 10 5 FCBELO CCc1cnc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)o1 ZINC001700246908 1289589552 /nfs/dbraw/zinc/58/95/52/1289589552.db2.gz RGNTTZUMSGXLIK-CHWSQXEVSA-N 1 2 352.391 0.657 10 5 FCBELO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001629963519 1290636622 /nfs/dbraw/zinc/63/66/22/1290636622.db2.gz WRJDBVIERJZAEE-UHFFFAOYSA-N 1 2 361.358 0.650 10 5 FCBELO 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XRXWAVTVUDFKST-UHFFFAOYSA-N 1 2 357.432 0.900 10 5 FCBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cc([N+](=O)[O-])cn2)nc[nH+]1 ZINC000173440137 488842838 /nfs/dbraw/zinc/84/28/38/488842838.db2.gz VINIPFQNDCTKRB-LLVKDONJSA-N 1 2 360.378 0.408 10 5 FCBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH+]cn1 ZINC000173440137 488842839 /nfs/dbraw/zinc/84/28/39/488842839.db2.gz VINIPFQNDCTKRB-LLVKDONJSA-N 1 2 360.378 0.408 10 5 FCBELO Cc1csc([C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000174764952 488851132 /nfs/dbraw/zinc/85/11/32/488851132.db2.gz WDIORLQKALWTQE-QWHCGFSZSA-N 1 2 353.404 0.991 10 5 FCBELO Cc1csc([C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000174764952 488851133 /nfs/dbraw/zinc/85/11/33/488851133.db2.gz WDIORLQKALWTQE-QWHCGFSZSA-N 1 2 353.404 0.991 10 5 FCBELO O=C(C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000281091424 489052730 /nfs/dbraw/zinc/05/27/30/489052730.db2.gz VFMIREIJSZIWEJ-UHFFFAOYSA-N 1 2 372.385 0.775 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1C ZINC000452108559 489547332 /nfs/dbraw/zinc/54/73/32/489547332.db2.gz VQRRDGOIAWVVQI-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1C ZINC000452108559 489547334 /nfs/dbraw/zinc/54/73/34/489547334.db2.gz VQRRDGOIAWVVQI-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416654232 489621702 /nfs/dbraw/zinc/62/17/02/489621702.db2.gz COVGOWKXXKTTQW-KGLIPLIRSA-N 1 2 371.459 0.854 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000416654232 489621703 /nfs/dbraw/zinc/62/17/03/489621703.db2.gz COVGOWKXXKTTQW-KGLIPLIRSA-N 1 2 371.459 0.854 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416661767 489623255 /nfs/dbraw/zinc/62/32/55/489623255.db2.gz JYBLSQAASRABNS-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416661767 489623258 /nfs/dbraw/zinc/62/32/58/489623258.db2.gz JYBLSQAASRABNS-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416671384 489625933 /nfs/dbraw/zinc/62/59/33/489625933.db2.gz WCVNXUJTSAUIHA-KBPBESRZSA-N 1 2 371.459 0.854 10 5 FCBELO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416671384 489625935 /nfs/dbraw/zinc/62/59/35/489625935.db2.gz WCVNXUJTSAUIHA-KBPBESRZSA-N 1 2 371.459 0.854 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672618 489626124 /nfs/dbraw/zinc/62/61/24/489626124.db2.gz YXVIQKXWKJKZBP-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416672618 489626125 /nfs/dbraw/zinc/62/61/25/489626125.db2.gz YXVIQKXWKJKZBP-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459645264 489743596 /nfs/dbraw/zinc/74/35/96/489743596.db2.gz LGAZKFGFQQQAFY-ZBEGNZNMSA-N 1 2 353.375 0.750 10 5 FCBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459645264 489743599 /nfs/dbraw/zinc/74/35/99/489743599.db2.gz LGAZKFGFQQQAFY-ZBEGNZNMSA-N 1 2 353.375 0.750 10 5 FCBELO COC(=O)COc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475094408 489806308 /nfs/dbraw/zinc/80/63/08/489806308.db2.gz PUKWXNBPJLHPQM-AWEZNQCLSA-N 1 2 365.386 0.663 10 5 FCBELO COC(=O)COc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475094408 489806310 /nfs/dbraw/zinc/80/63/10/489806310.db2.gz PUKWXNBPJLHPQM-AWEZNQCLSA-N 1 2 365.386 0.663 10 5 FCBELO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434558282 489933531 /nfs/dbraw/zinc/93/35/31/489933531.db2.gz RTVZHVUONFETRL-UHFFFAOYSA-N 1 2 355.358 0.942 10 5 FCBELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000378389674 490059225 /nfs/dbraw/zinc/05/92/25/490059225.db2.gz SKVPGIOPWFLKNZ-CABCVRRESA-N 1 2 364.406 0.576 10 5 FCBELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000378389674 490059226 /nfs/dbraw/zinc/05/92/26/490059226.db2.gz SKVPGIOPWFLKNZ-CABCVRRESA-N 1 2 364.406 0.576 10 5 FCBELO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443778153 490073432 /nfs/dbraw/zinc/07/34/32/490073432.db2.gz YBIWEBWLGUVYQZ-OAHLLOKOSA-N 1 2 373.431 0.050 10 5 FCBELO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000521058913 490219142 /nfs/dbraw/zinc/21/91/42/490219142.db2.gz OTFLTELDCWEHTC-UHFFFAOYSA-N 1 2 364.402 0.584 10 5 FCBELO CCOC(=O)COCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550111993 490626214 /nfs/dbraw/zinc/62/62/14/490626214.db2.gz JESAWHXWGHHRCW-UHFFFAOYSA-N 1 2 365.386 0.932 10 5 FCBELO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486793609 490671970 /nfs/dbraw/zinc/67/19/70/490671970.db2.gz XSBPPROPVLSALR-GFCCVEGCSA-N 1 2 373.356 0.567 10 5 FCBELO CNS(=O)(=O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000565376969 491373079 /nfs/dbraw/zinc/37/30/79/491373079.db2.gz XGFLCAZNNLUBDK-UHFFFAOYSA-N 1 2 370.431 0.292 10 5 FCBELO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682285 491875444 /nfs/dbraw/zinc/87/54/44/491875444.db2.gz MAKIVFIFKKVEQX-MRXNPFEDSA-N 1 2 374.401 0.594 10 5 FCBELO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682285 491875447 /nfs/dbraw/zinc/87/54/47/491875447.db2.gz MAKIVFIFKKVEQX-MRXNPFEDSA-N 1 2 374.401 0.594 10 5 FCBELO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595112647 491884871 /nfs/dbraw/zinc/88/48/71/491884871.db2.gz XVXGOMLVXFVHOS-LLVKDONJSA-N 1 2 352.376 0.059 10 5 FCBELO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000595753780 491952147 /nfs/dbraw/zinc/95/21/47/491952147.db2.gz YKZMRKNWBRQKGB-GFCCVEGCSA-N 1 2 370.431 0.889 10 5 FCBELO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000595753780 491952150 /nfs/dbraw/zinc/95/21/50/491952150.db2.gz YKZMRKNWBRQKGB-GFCCVEGCSA-N 1 2 370.431 0.889 10 5 FCBELO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000595761923 491952469 /nfs/dbraw/zinc/95/24/69/491952469.db2.gz JRZZQEAHEPAFPE-CHWSQXEVSA-N 1 2 373.431 0.300 10 5 FCBELO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000595761923 491952470 /nfs/dbraw/zinc/95/24/70/491952470.db2.gz JRZZQEAHEPAFPE-CHWSQXEVSA-N 1 2 373.431 0.300 10 5 FCBELO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000595761924 491952537 /nfs/dbraw/zinc/95/25/37/491952537.db2.gz JRZZQEAHEPAFPE-OLZOCXBDSA-N 1 2 373.431 0.300 10 5 FCBELO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000595761924 491952538 /nfs/dbraw/zinc/95/25/38/491952538.db2.gz JRZZQEAHEPAFPE-OLZOCXBDSA-N 1 2 373.431 0.300 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000599204675 492141647 /nfs/dbraw/zinc/14/16/47/492141647.db2.gz DHAAPXREAPQTGZ-ZDUSSCGKSA-N 1 2 365.415 0.881 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000599204675 492141648 /nfs/dbraw/zinc/14/16/48/492141648.db2.gz DHAAPXREAPQTGZ-ZDUSSCGKSA-N 1 2 365.415 0.881 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000599250484 492148888 /nfs/dbraw/zinc/14/88/88/492148888.db2.gz OJRKWMNGVBPVGV-UHFFFAOYSA-N 1 2 371.394 0.878 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000599250484 492148889 /nfs/dbraw/zinc/14/88/89/492148889.db2.gz OJRKWMNGVBPVGV-UHFFFAOYSA-N 1 2 371.394 0.878 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)n1 ZINC000599280558 492153946 /nfs/dbraw/zinc/15/39/46/492153946.db2.gz DNLMTCIGAOUJSC-UHFFFAOYSA-N 1 2 374.467 0.023 10 5 FCBELO COc1ccc(OCC[NH+]2CCN(c3nccnn3)CC2)c([N+](=O)[O-])c1 ZINC000599509713 492182208 /nfs/dbraw/zinc/18/22/08/492182208.db2.gz PPRVKPFKVWBBSP-UHFFFAOYSA-N 1 2 360.374 0.989 10 5 FCBELO Cc1c(C(=O)NC[C@@H]2COCC[N@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000600419423 492268670 /nfs/dbraw/zinc/26/86/70/492268670.db2.gz HNIPWDFTKFFKKT-CQSZACIVSA-N 1 2 360.374 0.544 10 5 FCBELO Cc1c(C(=O)NC[C@@H]2COCC[N@@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000600419423 492268671 /nfs/dbraw/zinc/26/86/71/492268671.db2.gz HNIPWDFTKFFKKT-CQSZACIVSA-N 1 2 360.374 0.544 10 5 FCBELO COC(=O)c1ccc(S(=O)(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000416530537 546916315 /nfs/dbraw/zinc/91/63/15/546916315.db2.gz GHXNNZRHNXAZOX-UHFFFAOYSA-N 1 2 368.371 0.636 10 5 FCBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917051060 667047487 /nfs/dbraw/zinc/04/74/87/667047487.db2.gz QZOWLCZVLOXNAZ-NSHDSACASA-N 1 2 374.850 0.916 10 5 FCBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917051060 667047494 /nfs/dbraw/zinc/04/74/94/667047494.db2.gz 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O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844748485 670940156 /nfs/dbraw/zinc/94/01/56/670940156.db2.gz TTZKERNAJJPKGL-WYNNWDDRSA-N 1 2 351.384 0.695 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCc1cc(F)cc(F)c1 ZINC001266273189 1167812329 /nfs/dbraw/zinc/81/23/29/1167812329.db2.gz MGPJJUNXDSJIKN-ZIAGYGMSSA-N 1 2 370.356 0.294 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCc1cc(F)cc(F)c1 ZINC001266273189 1167812332 /nfs/dbraw/zinc/81/23/32/1167812332.db2.gz MGPJJUNXDSJIKN-ZIAGYGMSSA-N 1 2 370.356 0.294 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H]1CO ZINC000913546850 1196451772 /nfs/dbraw/zinc/45/17/72/1196451772.db2.gz ZGEOQDGPAYHUKI-ZDUSSCGKSA-N 1 2 364.402 0.180 10 5 FCBELO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H]1CO ZINC000913546850 1196451780 /nfs/dbraw/zinc/45/17/80/1196451780.db2.gz ZGEOQDGPAYHUKI-ZDUSSCGKSA-N 1 2 364.402 0.180 10 5 FCBELO 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CC1(CNC(=O)CCn2cc[nH+]c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506669148 1264334804 /nfs/dbraw/zinc/33/48/04/1264334804.db2.gz XTJICUPPBFXSCE-ZIAGYGMSSA-N 1 2 363.418 0.683 10 5 FCBELO CS(=O)(=O)CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001506861537 1264344281 /nfs/dbraw/zinc/34/42/81/1264344281.db2.gz ADBRBWDQJBJOEA-CHWSQXEVSA-N 1 2 359.448 0.011 10 5 FCBELO CS(=O)(=O)CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001506861537 1264344290 /nfs/dbraw/zinc/34/42/90/1264344290.db2.gz ADBRBWDQJBJOEA-CHWSQXEVSA-N 1 2 359.448 0.011 10 5 FCBELO CN(CC(C)(C)CNC(=O)CCc1[nH+]ccn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001508660194 1264417447 /nfs/dbraw/zinc/41/74/47/1264417447.db2.gz PGDFAIAVVCHNBD-CHWSQXEVSA-N 1 2 365.434 0.619 10 5 FCBELO Cn1c[nH+]cc1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001509274789 1264449657 /nfs/dbraw/zinc/44/96/57/1264449657.db2.gz GAYKOAYRXBZOTL-ZIAGYGMSSA-N 1 2 363.418 0.563 10 5 FCBELO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001527794002 1266924531 /nfs/dbraw/zinc/92/45/31/1266924531.db2.gz JFWUCRGWWCJNLW-LBPRGKRZSA-N 1 2 361.358 0.885 10 5 FCBELO COC(=O)[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](O)C1 ZINC001558084413 1269022011 /nfs/dbraw/zinc/02/20/11/1269022011.db2.gz GSZACFHEOCDLLL-AITUWYQGSA-N 1 2 360.326 0.577 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(O)cc1 ZINC001566453485 1269645017 /nfs/dbraw/zinc/64/50/17/1269645017.db2.gz OENNOOQFLGJNIV-ZIAGYGMSSA-N 1 2 350.375 0.434 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(O)cc1 ZINC001566453485 1269645025 /nfs/dbraw/zinc/64/50/25/1269645025.db2.gz OENNOOQFLGJNIV-ZIAGYGMSSA-N 1 2 350.375 0.434 10 5 FCBELO CN(CC[N@H+](C)CC(=O)NC1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480733 1269734939 /nfs/dbraw/zinc/73/49/39/1269734939.db2.gz REGXNMGYZSNEOU-HUUCEWRRSA-N 1 2 354.451 0.881 10 5 FCBELO CN(CC[N@@H+](C)CC(=O)NC1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480733 1269734948 /nfs/dbraw/zinc/73/49/48/1269734948.db2.gz REGXNMGYZSNEOU-HUUCEWRRSA-N 1 2 354.451 0.881 10 5 FCBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001570413530 1269878512 /nfs/dbraw/zinc/87/85/12/1269878512.db2.gz ABOVJGRIDIQQNJ-CHWSQXEVSA-N 1 2 364.402 0.660 10 5 FCBELO COc1ccnc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001570491974 1269892568 /nfs/dbraw/zinc/89/25/68/1269892568.db2.gz LKZACGXBEPWZJO-HUUCEWRRSA-N 1 2 364.402 0.199 10 5 FCBELO CN(CC[NH2+]Cc1c(Br)cnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591511 1287287322 /nfs/dbraw/zinc/28/73/22/1287287322.db2.gz OUMWIVRQSISJLH-PSASIEDQSA-N 1 2 360.212 0.396 10 5 FCBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1nc(C)cs1 ZINC001714583885 1287327204 /nfs/dbraw/zinc/32/72/04/1287327204.db2.gz NTHBQWRBFTUZSK-GHMZBOCLSA-N 1 2 355.420 0.493 10 5 FCBELO 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Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)cc1[N+](=O)[O-] ZINC000416385754 489587586 /nfs/dbraw/zinc/58/75/86/489587586.db2.gz GYZMORZDPGUKNA-CYBMUJFWSA-N 1 2 356.448 0.736 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)cc1[N+](=O)[O-] ZINC000416465616 489596228 /nfs/dbraw/zinc/59/62/28/489596228.db2.gz MGTHTTFBXSGWPQ-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416476517 489598492 /nfs/dbraw/zinc/59/84/92/489598492.db2.gz YIZLEIWIOUCSAP-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416476517 489598493 /nfs/dbraw/zinc/59/84/93/489598493.db2.gz YIZLEIWIOUCSAP-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427408771 489606792 /nfs/dbraw/zinc/60/67/92/489606792.db2.gz WOEVFVHNYMVOAD-LBPRGKRZSA-N 1 2 350.375 0.367 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427408771 489606794 /nfs/dbraw/zinc/60/67/94/489606794.db2.gz WOEVFVHNYMVOAD-LBPRGKRZSA-N 1 2 350.375 0.367 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)n1 ZINC000427631618 489616078 /nfs/dbraw/zinc/61/60/78/489616078.db2.gz ZMMZHGFAZQHZKH-NSHDSACASA-N 1 2 353.379 0.521 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416657266 489621981 /nfs/dbraw/zinc/62/19/81/489621981.db2.gz FDYVSZXJQKRGHS-WDEREUQCSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416657266 489621984 /nfs/dbraw/zinc/62/19/84/489621984.db2.gz FDYVSZXJQKRGHS-WDEREUQCSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416655816 489622307 /nfs/dbraw/zinc/62/23/07/489622307.db2.gz DORCGKPZYAWVQY-QWHCGFSZSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416655816 489622308 /nfs/dbraw/zinc/62/23/08/489622308.db2.gz DORCGKPZYAWVQY-QWHCGFSZSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416671054 489626002 /nfs/dbraw/zinc/62/60/02/489626002.db2.gz VGKZFNCBGWVVMH-WDEREUQCSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416671054 489626005 /nfs/dbraw/zinc/62/60/05/489626005.db2.gz VGKZFNCBGWVVMH-WDEREUQCSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416671387 489626064 /nfs/dbraw/zinc/62/60/64/489626064.db2.gz WCVNXUJTSAUIHA-ZIAGYGMSSA-N 1 2 371.459 0.854 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416671387 489626065 /nfs/dbraw/zinc/62/60/65/489626065.db2.gz WCVNXUJTSAUIHA-ZIAGYGMSSA-N 1 2 371.459 0.854 10 5 FCBELO COC(=O)c1cc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000457098813 489635050 /nfs/dbraw/zinc/63/50/50/489635050.db2.gz UNTSBQVQRFAFIT-LLVKDONJSA-N 1 2 351.359 0.520 10 5 FCBELO COC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000457098813 489635051 /nfs/dbraw/zinc/63/50/51/489635051.db2.gz UNTSBQVQRFAFIT-LLVKDONJSA-N 1 2 351.359 0.520 10 5 FCBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459647660 489744862 /nfs/dbraw/zinc/74/48/62/489744862.db2.gz OFASNCBMXJCWHJ-MRXNPFEDSA-N 1 2 353.375 0.751 10 5 FCBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459647660 489744869 /nfs/dbraw/zinc/74/48/69/489744869.db2.gz OFASNCBMXJCWHJ-MRXNPFEDSA-N 1 2 353.375 0.751 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000494345674 489884760 /nfs/dbraw/zinc/88/47/60/489884760.db2.gz GNXPBZUNEWQTBN-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000494345674 489884763 /nfs/dbraw/zinc/88/47/63/489884763.db2.gz GNXPBZUNEWQTBN-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483274984 490300201 /nfs/dbraw/zinc/30/02/01/490300201.db2.gz ZZYJXYNADPMHAU-ZYHUDNBSSA-N 1 2 367.358 0.734 10 5 FCBELO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483274984 490300204 /nfs/dbraw/zinc/30/02/04/490300204.db2.gz ZZYJXYNADPMHAU-ZYHUDNBSSA-N 1 2 367.358 0.734 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000512251128 490668215 /nfs/dbraw/zinc/66/82/15/490668215.db2.gz WPULHOFXGOSDQK-LBPRGKRZSA-N 1 2 356.404 0.595 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000512251128 490668222 /nfs/dbraw/zinc/66/82/22/490668222.db2.gz WPULHOFXGOSDQK-LBPRGKRZSA-N 1 2 356.404 0.595 10 5 FCBELO C[C@H]1CC[N@H+](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000566451182 491444522 /nfs/dbraw/zinc/44/45/22/491444522.db2.gz PXQNOGJGXRNFCZ-LBPRGKRZSA-N 1 2 355.416 0.827 10 5 FCBELO C[C@H]1CC[N@@H+](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000566451182 491444523 /nfs/dbraw/zinc/44/45/23/491444523.db2.gz PXQNOGJGXRNFCZ-LBPRGKRZSA-N 1 2 355.416 0.827 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000590589702 491780377 /nfs/dbraw/zinc/78/03/77/491780377.db2.gz ZALAVNCIIMKULD-UHFFFAOYSA-N 1 2 355.416 0.856 10 5 FCBELO COC[C@@H](C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000595290055 491913320 /nfs/dbraw/zinc/91/33/20/491913320.db2.gz TYDPQBRCAMXRSF-CQSZACIVSA-N 1 2 373.431 0.563 10 5 FCBELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598503349 492102312 /nfs/dbraw/zinc/10/23/12/492102312.db2.gz APHFZLIUKKDLBN-MRXNPFEDSA-N 1 2 372.429 0.724 10 5 FCBELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598503349 492102313 /nfs/dbraw/zinc/10/23/13/492102313.db2.gz APHFZLIUKKDLBN-MRXNPFEDSA-N 1 2 372.429 0.724 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598941910 492126082 /nfs/dbraw/zinc/12/60/82/492126082.db2.gz 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C/C(=C/C(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001530104476 1267095535 /nfs/dbraw/zinc/09/55/35/1267095535.db2.gz YCFNCTWOKPSBFG-VEJWNLPXSA-N 1 2 364.446 0.611 10 5 FCBELO O=C(CCCn1cc[nH+]c1)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001339478756 1268247907 /nfs/dbraw/zinc/24/79/07/1268247907.db2.gz ZOZGSKZYUIYZID-HUUCEWRRSA-N 1 2 361.402 0.603 10 5 FCBELO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566713348 1269659736 /nfs/dbraw/zinc/65/97/36/1269659736.db2.gz CAJUBHPDTAZPHG-HUUCEWRRSA-N 1 2 363.370 0.524 10 5 FCBELO O=C(NC1(CO)CC[NH+](Cc2ccc(Cl)nc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717350911 1287419485 /nfs/dbraw/zinc/41/94/85/1287419485.db2.gz WMJJZBBRHBKEGL-CHWSQXEVSA-N 1 2 368.821 0.843 10 5 FCBELO CC(C)(C)CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001717628198 1287431274 /nfs/dbraw/zinc/43/12/74/1287431274.db2.gz NKPYOVHTFARPDK-ZIAGYGMSSA-N 1 2 366.462 0.738 10 5 FCBELO CC(C)(C)CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001717628198 1287431280 /nfs/dbraw/zinc/43/12/80/1287431280.db2.gz NKPYOVHTFARPDK-ZIAGYGMSSA-N 1 2 366.462 0.738 10 5 FCBELO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001587874568 1282383964 /nfs/dbraw/zinc/38/39/64/1282383964.db2.gz IGHCLYUHFAUUPO-LBPRGKRZSA-N 1 2 356.342 0.837 10 5 FCBELO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001587874568 1282383967 /nfs/dbraw/zinc/38/39/67/1282383967.db2.gz IGHCLYUHFAUUPO-LBPRGKRZSA-N 1 2 356.342 0.837 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382706 1282402342 /nfs/dbraw/zinc/40/23/42/1282402342.db2.gz BWKADHVJRDFMBN-JKSUJKDBSA-N 1 2 360.414 0.979 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382706 1282402348 /nfs/dbraw/zinc/40/23/48/1282402348.db2.gz BWKADHVJRDFMBN-JKSUJKDBSA-N 1 2 360.414 0.979 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H](CO)C1 ZINC001641533783 1282959401 /nfs/dbraw/zinc/95/94/01/1282959401.db2.gz ORRSJLBSFRXXGJ-GFCCVEGCSA-N 1 2 363.349 0.668 10 5 FCBELO C[N@H+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H](CO)C1 ZINC001641533783 1282959413 /nfs/dbraw/zinc/95/94/13/1282959413.db2.gz ORRSJLBSFRXXGJ-GFCCVEGCSA-N 1 2 363.349 0.668 10 5 FCBELO O=C(Cc1cn2c([nH+]1)CCCC2)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001722076823 1288400429 /nfs/dbraw/zinc/40/04/29/1288400429.db2.gz OAVAIBQDMNGIKI-CHWSQXEVSA-N 1 2 361.402 0.192 10 5 FCBELO O=C(NC1(C[NH2+]Cc2coc(C3CC3)n2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724917809 1288456325 /nfs/dbraw/zinc/45/63/25/1288456325.db2.gz XVZOAGDUHVDUEI-ZIAGYGMSSA-N 1 2 364.402 0.972 10 5 FCBELO COc1cc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001725017375 1288458563 /nfs/dbraw/zinc/45/85/63/1288458563.db2.gz MBWIUGSAFJIZRS-VXGBXAGGSA-N 1 2 370.431 0.260 10 5 FCBELO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001624472664 1290273774 /nfs/dbraw/zinc/27/37/74/1290273774.db2.gz VDPKCJZVYZHIEY-UHFFFAOYSA-N 1 2 367.406 0.714 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001656342884 1291511634 /nfs/dbraw/zinc/51/16/34/1291511634.db2.gz CSOKKVJFMQUSID-GHMZBOCLSA-N 1 2 356.404 0.532 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001656342884 1291511639 /nfs/dbraw/zinc/51/16/39/1291511639.db2.gz CSOKKVJFMQUSID-GHMZBOCLSA-N 1 2 356.404 0.532 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001656343240 1291512532 /nfs/dbraw/zinc/51/25/32/1291512532.db2.gz JIKIJZRHGSDTMU-NSHDSACASA-N 1 2 356.404 0.452 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001656343240 1291512535 /nfs/dbraw/zinc/51/25/35/1291512535.db2.gz JIKIJZRHGSDTMU-NSHDSACASA-N 1 2 356.404 0.452 10 5 FCBELO 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Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440635700 248200091 /nfs/dbraw/zinc/20/00/91/248200091.db2.gz DIFNTAKJQGJEPW-GFCCVEGCSA-N 1 2 356.404 0.595 10 5 FCBELO COc1cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000271214374 211355842 /nfs/dbraw/zinc/35/58/42/211355842.db2.gz WCGGCAWGGZLXAN-NSHDSACASA-N 1 2 359.404 0.736 10 5 FCBELO COc1cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000271214374 211355845 /nfs/dbraw/zinc/35/58/45/211355845.db2.gz WCGGCAWGGZLXAN-NSHDSACASA-N 1 2 359.404 0.736 10 5 FCBELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000082985426 208105942 /nfs/dbraw/zinc/10/59/42/208105942.db2.gz CGYYSVPLJLZHPB-ZDUSSCGKSA-N 1 2 362.386 0.841 10 5 FCBELO COC(=O)C1CCN(c2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000040610523 132947682 /nfs/dbraw/zinc/94/76/82/132947682.db2.gz LLPHCPIDBJVRMV-UHFFFAOYSA-N 1 2 364.406 0.526 10 5 FCBELO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H]1C 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362.477 0.818 10 5 FCBELO COC(=O)c1cc(C)nc(NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000283470999 489263030 /nfs/dbraw/zinc/26/30/30/489263030.db2.gz GDZJFGXYLVWQRT-UHFFFAOYSA-N 1 2 365.390 0.661 10 5 FCBELO COC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000416369459 489585728 /nfs/dbraw/zinc/58/57/28/489585728.db2.gz JKNAGFNMIUCAOS-UHFFFAOYSA-N 1 2 371.415 0.605 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000427200433 489597900 /nfs/dbraw/zinc/59/79/00/489597900.db2.gz OVTKJXOYFIWTQX-UHFFFAOYSA-N 1 2 360.374 0.973 10 5 FCBELO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000427407015 489606312 /nfs/dbraw/zinc/60/63/12/489606312.db2.gz VYTOXDUOSWWSFI-NSHDSACASA-N 1 2 350.375 0.367 10 5 FCBELO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000427407015 489606316 /nfs/dbraw/zinc/60/63/16/489606316.db2.gz VYTOXDUOSWWSFI-NSHDSACASA-N 1 2 350.375 0.367 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427405501 489606867 /nfs/dbraw/zinc/60/68/67/489606867.db2.gz NBOIJWXWYBJWEB-NSHDSACASA-N 1 2 366.374 0.067 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427405501 489606868 /nfs/dbraw/zinc/60/68/68/489606868.db2.gz NBOIJWXWYBJWEB-NSHDSACASA-N 1 2 366.374 0.067 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416651026 489621060 /nfs/dbraw/zinc/62/10/60/489621060.db2.gz AYUDSUJLPBYRIF-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416651026 489621063 /nfs/dbraw/zinc/62/10/63/489621063.db2.gz AYUDSUJLPBYRIF-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416657249 489622012 /nfs/dbraw/zinc/62/20/12/489622012.db2.gz FCYBPUQOBKXJFQ-OLZOCXBDSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416657249 489622014 /nfs/dbraw/zinc/62/20/14/489622014.db2.gz FCYBPUQOBKXJFQ-OLZOCXBDSA-N 1 2 357.432 0.812 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416661369 489623380 /nfs/dbraw/zinc/62/33/80/489623380.db2.gz JKNYWAGEEJZACY-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416661369 489623383 /nfs/dbraw/zinc/62/33/83/489623383.db2.gz JKNYWAGEEJZACY-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000428531972 489652145 /nfs/dbraw/zinc/65/21/45/489652145.db2.gz AZHVLERTELSBQF-NSHDSACASA-N 1 2 353.375 0.751 10 5 FCBELO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000428531972 489652146 /nfs/dbraw/zinc/65/21/46/489652146.db2.gz AZHVLERTELSBQF-NSHDSACASA-N 1 2 353.375 0.751 10 5 FCBELO COc1cc(CN2CC[NH+](CCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000492662498 489833427 /nfs/dbraw/zinc/83/34/27/489833427.db2.gz XATYAQBMYWKDFH-UHFFFAOYSA-N 1 2 358.420 0.010 10 5 FCBELO COc1cc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000494356791 489885901 /nfs/dbraw/zinc/88/59/01/489885901.db2.gz MIMYONBLRISFCI-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000494356791 489885906 /nfs/dbraw/zinc/88/59/06/489885906.db2.gz MIMYONBLRISFCI-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000462091255 489956482 /nfs/dbraw/zinc/95/64/82/489956482.db2.gz GFYRRJWOAAVOJF-UHFFFAOYSA-N 1 2 364.402 0.584 10 5 FCBELO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000483286545 490301549 /nfs/dbraw/zinc/30/15/49/490301549.db2.gz RLGVJFDRTVLZEQ-WFASDCNBSA-N 1 2 358.416 0.840 10 5 FCBELO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000483286545 490301553 /nfs/dbraw/zinc/30/15/53/490301553.db2.gz RLGVJFDRTVLZEQ-WFASDCNBSA-N 1 2 358.416 0.840 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451151634 490521361 /nfs/dbraw/zinc/52/13/61/490521361.db2.gz XINYKZFOABQBJW-HOCLYGCPSA-N 1 2 364.402 0.947 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451151634 490521367 /nfs/dbraw/zinc/52/13/67/490521367.db2.gz XINYKZFOABQBJW-HOCLYGCPSA-N 1 2 364.402 0.947 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000505893081 490843579 /nfs/dbraw/zinc/84/35/79/490843579.db2.gz ACHIPYDMFHGXBO-UHFFFAOYSA-N 1 2 351.388 0.824 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000505893081 490843582 /nfs/dbraw/zinc/84/35/82/490843582.db2.gz ACHIPYDMFHGXBO-UHFFFAOYSA-N 1 2 351.388 0.824 10 5 FCBELO COC(=O)c1cc(C)nc(NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000561340947 491599183 /nfs/dbraw/zinc/59/91/83/491599183.db2.gz PNMWRYSSWKTOLG-UHFFFAOYSA-N 1 2 350.375 1.362 10 5 FCBELO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590588852 491779980 /nfs/dbraw/zinc/77/99/80/491779980.db2.gz SBMBROYTDODLSW-UHFFFAOYSA-N 1 2 359.379 0.687 10 5 FCBELO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000590587408 491780057 /nfs/dbraw/zinc/78/00/57/491780057.db2.gz DTCIZSRGPJIKSL-UHFFFAOYSA-N 1 2 355.416 0.689 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000590765774 491786019 /nfs/dbraw/zinc/78/60/19/491786019.db2.gz DWALNEQEZDDFMF-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000590765774 491786021 /nfs/dbraw/zinc/78/60/21/491786021.db2.gz DWALNEQEZDDFMF-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000611738936 491871676 /nfs/dbraw/zinc/87/16/76/491871676.db2.gz NVHCVOXHGNNBKN-UHFFFAOYSA-N 1 2 350.375 0.592 10 5 FCBELO NC(=O)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000600677909 491875207 /nfs/dbraw/zinc/87/52/07/491875207.db2.gz LHNABZMBGMABKC-GFCCVEGCSA-N 1 2 359.342 0.497 10 5 FCBELO Cn1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000600680597 491875615 /nfs/dbraw/zinc/87/56/15/491875615.db2.gz FVBBYUPWJMRTOU-CQSZACIVSA-N 1 2 359.386 0.959 10 5 FCBELO Cn1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000600680597 491875618 /nfs/dbraw/zinc/87/56/18/491875618.db2.gz FVBBYUPWJMRTOU-CQSZACIVSA-N 1 2 359.386 0.959 10 5 FCBELO NC(=O)C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000600680684 491875708 /nfs/dbraw/zinc/87/57/08/491875708.db2.gz VPQRJKULAXHEIO-LBPRGKRZSA-N 1 2 359.342 0.497 10 5 FCBELO CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601412975 491915202 /nfs/dbraw/zinc/91/52/02/491915202.db2.gz XMWWNAHRQLCNGT-HNNXBMFYSA-N 1 2 357.432 0.730 10 5 FCBELO CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601412975 491915204 /nfs/dbraw/zinc/91/52/04/491915204.db2.gz XMWWNAHRQLCNGT-HNNXBMFYSA-N 1 2 357.432 0.730 10 5 FCBELO CS(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])c1 ZINC000598944281 492126564 /nfs/dbraw/zinc/12/65/64/492126564.db2.gz LUBYEWDKNDJGOT-SNVBAGLBSA-N 1 2 350.356 0.550 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)n1 ZINC000599109861 492136517 /nfs/dbraw/zinc/13/65/17/492136517.db2.gz WMTWMFLTRLWKKM-NSHDSACASA-N 1 2 352.376 0.059 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599130797 492137584 /nfs/dbraw/zinc/13/75/84/492137584.db2.gz LCTVDUQAPOYDQJ-MRXNPFEDSA-N 1 2 362.390 0.665 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000599130797 492137586 /nfs/dbraw/zinc/13/75/86/492137586.db2.gz LCTVDUQAPOYDQJ-MRXNPFEDSA-N 1 2 362.390 0.665 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599194392 492141318 /nfs/dbraw/zinc/14/13/18/492141318.db2.gz LLUMYYHYPDQAGP-MRXNPFEDSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599194392 492141321 /nfs/dbraw/zinc/14/13/21/492141321.db2.gz LLUMYYHYPDQAGP-MRXNPFEDSA-N 1 2 363.418 0.757 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000599348275 492162886 /nfs/dbraw/zinc/16/28/86/492162886.db2.gz PWFYHRQEEXGYNU-LBPRGKRZSA-N 1 2 373.435 0.204 10 5 FCBELO CCOc1cc(C[NH+]2CCC(NS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000599646214 492196035 /nfs/dbraw/zinc/19/60/35/492196035.db2.gz GZJSTDONOKNTOG-UHFFFAOYSA-N 1 2 358.420 0.751 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600233086 492251979 /nfs/dbraw/zinc/25/19/79/492251979.db2.gz WGUBFAHROQBZQF-GOSISDBHSA-N 1 2 363.414 0.869 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600233086 492251981 /nfs/dbraw/zinc/25/19/81/492251981.db2.gz WGUBFAHROQBZQF-GOSISDBHSA-N 1 2 363.414 0.869 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610899015 492267369 /nfs/dbraw/zinc/26/73/69/492267369.db2.gz WXERAZGXYHKRSQ-MFKMUULPSA-N 1 2 359.404 0.601 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899015 492267372 /nfs/dbraw/zinc/26/73/72/492267372.db2.gz WXERAZGXYHKRSQ-MFKMUULPSA-N 1 2 359.404 0.601 10 5 FCBELO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422611 492268459 /nfs/dbraw/zinc/26/84/59/492268459.db2.gz WEHCTMFCWCFLAZ-RYUDHWBXSA-N 1 2 354.411 0.274 10 5 FCBELO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422611 492268461 /nfs/dbraw/zinc/26/84/61/492268461.db2.gz WEHCTMFCWCFLAZ-RYUDHWBXSA-N 1 2 354.411 0.274 10 5 FCBELO Cc1nn(CCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873570 492280664 /nfs/dbraw/zinc/28/06/64/492280664.db2.gz OISDNGRPCHSIFL-CQSZACIVSA-N 1 2 350.423 0.304 10 5 FCBELO Cc1nn(CCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873570 492280666 /nfs/dbraw/zinc/28/06/66/492280666.db2.gz OISDNGRPCHSIFL-CQSZACIVSA-N 1 2 350.423 0.304 10 5 FCBELO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525404 492289439 /nfs/dbraw/zinc/28/94/39/492289439.db2.gz UCLJHFUIMXZTPX-LBPRGKRZSA-N 1 2 365.434 0.706 10 5 FCBELO Cc1c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000187257919 533753298 /nfs/dbraw/zinc/75/32/98/533753298.db2.gz BOSDYRDOMJQDQS-GFCCVEGCSA-N 1 2 374.401 0.623 10 5 FCBELO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000187257919 533753305 /nfs/dbraw/zinc/75/33/05/533753305.db2.gz BOSDYRDOMJQDQS-GFCCVEGCSA-N 1 2 374.401 0.623 10 5 FCBELO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000425290105 534357249 /nfs/dbraw/zinc/35/72/49/534357249.db2.gz FFZDQKRDWQATKF-GFCCVEGCSA-N 1 2 369.393 0.821 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1CCO ZINC000187276989 534433102 /nfs/dbraw/zinc/43/31/02/534433102.db2.gz VPRZUIGBHQRFEF-CYBMUJFWSA-N 1 2 359.386 0.919 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1CCO ZINC000187276989 534433113 /nfs/dbraw/zinc/43/31/13/534433113.db2.gz VPRZUIGBHQRFEF-CYBMUJFWSA-N 1 2 359.386 0.919 10 5 FCBELO CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000593528115 546970515 /nfs/dbraw/zinc/97/05/15/546970515.db2.gz ZOVDVJCQMTWBLK-CYBMUJFWSA-N 1 2 358.420 0.625 10 5 FCBELO CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000593528116 546970579 /nfs/dbraw/zinc/97/05/79/546970579.db2.gz ZOVDVJCQMTWBLK-ZDUSSCGKSA-N 1 2 358.420 0.625 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000593551534 546974106 /nfs/dbraw/zinc/97/41/06/546974106.db2.gz ICEFFOFUXZETJV-AWEZNQCLSA-N 1 2 370.431 0.865 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000593574531 546978251 /nfs/dbraw/zinc/97/82/51/546978251.db2.gz VETDOLCJFMAJIV-NSHDSACASA-N 1 2 372.403 0.248 10 5 FCBELO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000593574531 546978255 /nfs/dbraw/zinc/97/82/55/546978255.db2.gz VETDOLCJFMAJIV-NSHDSACASA-N 1 2 372.403 0.248 10 5 FCBELO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593584600 546980637 /nfs/dbraw/zinc/98/06/37/546980637.db2.gz AUWGGBTWRXERBA-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593584600 546980639 /nfs/dbraw/zinc/98/06/39/546980639.db2.gz AUWGGBTWRXERBA-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593611810 546985050 /nfs/dbraw/zinc/98/50/50/546985050.db2.gz TZPSRYGKLMHKDT-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO CC(C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000594761397 547005948 /nfs/dbraw/zinc/00/59/48/547005948.db2.gz YCPNUHLJZJOKST-AWEZNQCLSA-N 1 2 371.463 0.540 10 5 FCBELO Cc1nc(N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000594768693 547007494 /nfs/dbraw/zinc/00/74/94/547007494.db2.gz NVQZXLOOTZQDKV-UHFFFAOYSA-N 1 2 364.387 0.599 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(F)c1 ZINC000917046060 667046452 /nfs/dbraw/zinc/04/64/52/667046452.db2.gz UNZBAGYYNBVHFF-GFCCVEGCSA-N 1 2 358.395 0.402 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(F)c1 ZINC000917046060 667046458 /nfs/dbraw/zinc/04/64/58/667046458.db2.gz UNZBAGYYNBVHFF-GFCCVEGCSA-N 1 2 358.395 0.402 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1C ZINC000917051073 667047529 /nfs/dbraw/zinc/04/75/29/667047529.db2.gz RMUWWLDJLWKAHC-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1C ZINC000917051073 667047535 /nfs/dbraw/zinc/04/75/35/667047535.db2.gz RMUWWLDJLWKAHC-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000917051239 667047872 /nfs/dbraw/zinc/04/78/72/667047872.db2.gz VIARTPBYVVDLHF-CYBMUJFWSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000917051239 667047882 /nfs/dbraw/zinc/04/78/82/667047882.db2.gz VIARTPBYVVDLHF-CYBMUJFWSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917056702 667049798 /nfs/dbraw/zinc/04/97/98/667049798.db2.gz XZNGMWFNPXDTFU-OAHLLOKOSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917056702 667049802 /nfs/dbraw/zinc/04/98/02/667049802.db2.gz XZNGMWFNPXDTFU-OAHLLOKOSA-N 1 2 368.459 0.880 10 5 FCBELO C[N@@H+]1CCO[C@H](CSCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000842652350 670707998 /nfs/dbraw/zinc/70/79/98/670707998.db2.gz PZMJPFCVBAUZHP-ZDUSSCGKSA-N 1 2 353.400 0.915 10 5 FCBELO C[N@H+]1CCO[C@H](CSCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000842652350 670708004 /nfs/dbraw/zinc/70/80/04/670708004.db2.gz PZMJPFCVBAUZHP-ZDUSSCGKSA-N 1 2 353.400 0.915 10 5 FCBELO COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000846616749 671131791 /nfs/dbraw/zinc/13/17/91/671131791.db2.gz IGELSNFFULKCAL-UHFFFAOYSA-N 1 2 352.391 0.598 10 5 FCBELO Cc1ncsc1C[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481468279 1186092340 /nfs/dbraw/zinc/09/23/40/1186092340.db2.gz KWWOKRCAINHBDD-ZIAGYGMSSA-N 1 2 367.475 0.693 10 5 FCBELO Cc1ccccc1CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237981 1186649063 /nfs/dbraw/zinc/64/90/63/1186649063.db2.gz SYGVKIHUICHNJQ-HZPDHXFCSA-N 1 2 362.430 0.667 10 5 FCBELO Cc1ccccc1CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237981 1186649065 /nfs/dbraw/zinc/64/90/65/1186649065.db2.gz SYGVKIHUICHNJQ-HZPDHXFCSA-N 1 2 362.430 0.667 10 5 FCBELO CN(CC[N@H+](C)CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013516 1190887381 /nfs/dbraw/zinc/88/73/81/1190887381.db2.gz KVZISSAJUMHNHJ-HUUCEWRRSA-N 1 2 366.393 0.497 10 5 FCBELO CN(CC[N@@H+](C)CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013516 1190887382 /nfs/dbraw/zinc/88/73/82/1190887382.db2.gz KVZISSAJUMHNHJ-HUUCEWRRSA-N 1 2 366.393 0.497 10 5 FCBELO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001174940496 1206297614 /nfs/dbraw/zinc/29/76/14/1206297614.db2.gz DZRINNVPIKCWND-ZDUSSCGKSA-N 1 2 356.342 0.837 10 5 FCBELO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001174940496 1206297619 /nfs/dbraw/zinc/29/76/19/1206297619.db2.gz DZRINNVPIKCWND-ZDUSSCGKSA-N 1 2 356.342 0.837 10 5 FCBELO CCCn1ncnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001273969805 1209959497 /nfs/dbraw/zinc/95/94/97/1209959497.db2.gz YTVWFINDPGNRIM-CHWSQXEVSA-N 1 2 366.422 0.108 10 5 FCBELO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870073415 1210106692 /nfs/dbraw/zinc/10/66/92/1210106692.db2.gz FLHMWZBSHMAUQQ-MRXNPFEDSA-N 1 2 365.386 0.533 10 5 FCBELO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001149204941 1222880376 /nfs/dbraw/zinc/88/03/76/1222880376.db2.gz JISDBSNNQUKCJB-ZDUSSCGKSA-N 1 2 361.358 0.298 10 5 FCBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC001261282042 1260110122 /nfs/dbraw/zinc/11/01/22/1260110122.db2.gz WJXWXEKOUPOYMN-HUUCEWRRSA-N 1 2 361.398 0.810 10 5 FCBELO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1c[nH+]cn1C ZINC001473581796 1261492923 /nfs/dbraw/zinc/49/29/23/1261492923.db2.gz DVVCVRJARNDNDE-UHFFFAOYSA-N 1 2 353.404 0.739 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001473777301 1261497316 /nfs/dbraw/zinc/49/73/16/1261497316.db2.gz YYSAAQLWBXFVFK-GFCCVEGCSA-N 1 2 370.431 0.713 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001473777301 1261497321 /nfs/dbraw/zinc/49/73/21/1261497321.db2.gz YYSAAQLWBXFVFK-GFCCVEGCSA-N 1 2 370.431 0.713 10 5 FCBELO Cc1ccc(C[NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001316964343 1263496709 /nfs/dbraw/zinc/49/67/09/1263496709.db2.gz WSIRCFAGHDOPLO-IAGOWNOFSA-N 1 2 361.446 0.597 10 5 FCBELO O=C(NC1(CCO)C[NH+](CCCC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485408086 1263504558 /nfs/dbraw/zinc/50/45/58/1263504558.db2.gz UWUFOBYYKDLJMW-HUUCEWRRSA-N 1 2 355.435 0.411 10 5 FCBELO COCCOCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001503723192 1264221119 /nfs/dbraw/zinc/22/11/19/1264221119.db2.gz FJEDYSSZBMDNDL-HUUCEWRRSA-N 1 2 371.434 0.008 10 5 FCBELO COCCOCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001503723192 1264221123 /nfs/dbraw/zinc/22/11/23/1264221123.db2.gz FJEDYSSZBMDNDL-HUUCEWRRSA-N 1 2 371.434 0.008 10 5 FCBELO CCn1ccc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001325794264 1264996335 /nfs/dbraw/zinc/99/63/35/1264996335.db2.gz LHDHSRLCFVOXIT-HZPDHXFCSA-N 1 2 364.450 0.238 10 5 FCBELO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[NH+](CCO)CC1 ZINC001540691571 1267459202 /nfs/dbraw/zinc/45/92/02/1267459202.db2.gz WVKNTOJTYBAHMZ-UHFFFAOYSA-N 1 2 351.359 0.506 10 5 FCBELO COCC(COC)[NH+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001557014013 1268917860 /nfs/dbraw/zinc/91/78/60/1268917860.db2.gz ZLHAFOTVDANXCZ-UHFFFAOYSA-N 1 2 361.786 0.391 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC001566454008 1269644487 /nfs/dbraw/zinc/64/44/87/1269644487.db2.gz WERSPJJAWHQHNU-ZIAGYGMSSA-N 1 2 352.366 0.868 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC001566454008 1269644497 /nfs/dbraw/zinc/64/44/97/1269644497.db2.gz WERSPJJAWHQHNU-ZIAGYGMSSA-N 1 2 352.366 0.868 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2ccnc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713074125 1287264157 /nfs/dbraw/zinc/26/41/57/1287264157.db2.gz KKWZPRAFNWLHBT-ZIAGYGMSSA-N 1 2 367.837 0.634 10 5 FCBELO 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ZINC001633802211 1282275918 /nfs/dbraw/zinc/27/59/18/1282275918.db2.gz GNIODUSWQGAKNV-UHFFFAOYSA-N 1 2 365.371 0.153 10 5 FCBELO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCn2cncn2)CC1 ZINC001634355626 1282323066 /nfs/dbraw/zinc/32/30/66/1282323066.db2.gz JRLWTTZCWQHKEI-HNNXBMFYSA-N 1 2 360.374 0.064 10 5 FCBELO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001640849475 1282906761 /nfs/dbraw/zinc/90/67/61/1282906761.db2.gz GIYSTTRCIBEAJH-OKILXGFUSA-N 1 2 372.385 0.769 10 5 FCBELO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001640849475 1282906771 /nfs/dbraw/zinc/90/67/71/1282906771.db2.gz GIYSTTRCIBEAJH-OKILXGFUSA-N 1 2 372.385 0.769 10 5 FCBELO CC(C)(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)n1cc[nH+]c1 ZINC001641457314 1282951906 /nfs/dbraw/zinc/95/19/06/1282951906.db2.gz DYWPJQJHWBUCBY-UHFFFAOYSA-N 1 2 371.353 0.939 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2(CCF)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001703775588 1286138127 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/nfs/dbraw/zinc/46/79/01/1291467901.db2.gz IWDRZEJSTORSFX-MEDUHNTESA-N 1 2 351.359 0.840 10 5 FCBELO COC(=O)[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001655430926 1291467905 /nfs/dbraw/zinc/46/79/05/1291467905.db2.gz IWDRZEJSTORSFX-MEDUHNTESA-N 1 2 351.359 0.840 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001137881939 849288546 /nfs/dbraw/zinc/28/85/46/849288546.db2.gz HLFOSRSQXZLMTE-JTQLQIEISA-N 1 2 351.363 0.281 10 5 FCBELO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001137881939 849288551 /nfs/dbraw/zinc/28/85/51/849288551.db2.gz HLFOSRSQXZLMTE-JTQLQIEISA-N 1 2 351.363 0.281 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001168537177 850587877 /nfs/dbraw/zinc/58/78/77/850587877.db2.gz FSUNYNXNNVGHKH-SECBINFHSA-N 1 2 373.207 0.688 10 5 FCBELO C[N@H+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001168537177 850587882 /nfs/dbraw/zinc/58/78/82/850587882.db2.gz 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FCBELO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285519094 213353434 /nfs/dbraw/zinc/35/34/34/213353434.db2.gz GMTPWVYWQNDHRQ-ZDUSSCGKSA-N 1 2 370.431 0.550 10 5 FCBELO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000284385662 213125912 /nfs/dbraw/zinc/12/59/12/213125912.db2.gz VHTAVGWEMYJVFU-AWEZNQCLSA-N 1 2 357.432 0.918 10 5 FCBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@](O)(CO)C1 ZINC000413414240 237326951 /nfs/dbraw/zinc/32/69/51/237326951.db2.gz WXBKKWDNUVAMSC-QGZVFWFLSA-N 1 2 351.403 0.751 10 5 FCBELO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367590756 216141502 /nfs/dbraw/zinc/14/15/02/216141502.db2.gz VYMCYLLODFDLCS-ZDUSSCGKSA-N 1 2 364.402 0.437 10 5 FCBELO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367590756 216141504 /nfs/dbraw/zinc/14/15/04/216141504.db2.gz VYMCYLLODFDLCS-ZDUSSCGKSA-N 1 2 364.402 0.437 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367887499 216176114 /nfs/dbraw/zinc/17/61/14/216176114.db2.gz SNQDRRLHXDOWPO-JTQLQIEISA-N 1 2 351.331 0.831 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368091106 216201223 /nfs/dbraw/zinc/20/12/23/216201223.db2.gz VJQDFFBWUILPFL-UHFFFAOYSA-N 1 2 372.447 0.918 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368091106 216201226 /nfs/dbraw/zinc/20/12/26/216201226.db2.gz VJQDFFBWUILPFL-UHFFFAOYSA-N 1 2 372.447 0.918 10 5 FCBELO CCn1cc([C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)cn1 ZINC000190815280 209276870 /nfs/dbraw/zinc/27/68/70/209276870.db2.gz FIPJGVXXDXRVSN-LSDHHAIUSA-N 1 2 350.379 0.442 10 5 FCBELO CCn1cc([C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)cn1 ZINC000190815280 209276874 /nfs/dbraw/zinc/27/68/74/209276874.db2.gz FIPJGVXXDXRVSN-LSDHHAIUSA-N 1 2 350.379 0.442 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185441223 209176581 /nfs/dbraw/zinc/17/65/81/209176581.db2.gz IKEGWSZRCTWNAK-UHFFFAOYSA-N 1 2 359.390 0.937 10 5 FCBELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182846329 209136106 /nfs/dbraw/zinc/13/61/06/209136106.db2.gz VICAORJEEPUICB-LLVKDONJSA-N 1 2 367.793 0.303 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181703474 209119722 /nfs/dbraw/zinc/11/97/22/209119722.db2.gz HDXJRIDTCKRMEU-AWEZNQCLSA-N 1 2 365.415 0.972 10 5 FCBELO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000181463723 209114238 /nfs/dbraw/zinc/11/42/38/209114238.db2.gz YLYPVUYLQSIPOE-BLLLJJGKSA-N 1 2 359.386 0.204 10 5 FCBELO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425284984 247315025 /nfs/dbraw/zinc/31/50/25/247315025.db2.gz FGLOAQAIKWASIY-AWEZNQCLSA-N 1 2 362.386 0.359 10 5 FCBELO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425284987 247315306 /nfs/dbraw/zinc/31/53/06/247315306.db2.gz FGLOAQAIKWASIY-CQSZACIVSA-N 1 2 362.386 0.359 10 5 FCBELO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000269721763 211054768 /nfs/dbraw/zinc/05/47/68/211054768.db2.gz PNPRGPIWMKMILF-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000269721763 211054774 /nfs/dbraw/zinc/05/47/74/211054774.db2.gz PNPRGPIWMKMILF-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO COCCN1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000364455738 488962333 /nfs/dbraw/zinc/96/23/33/488962333.db2.gz QMJFFPGAPNDXCX-OAHLLOKOSA-N 1 2 367.402 0.515 10 5 FCBELO COCCN1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000364455738 488962334 /nfs/dbraw/zinc/96/23/34/488962334.db2.gz QMJFFPGAPNDXCX-OAHLLOKOSA-N 1 2 367.402 0.515 10 5 FCBELO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H](O)C[NH+]1CCOCC1 ZINC000057770724 488275820 /nfs/dbraw/zinc/27/58/20/488275820.db2.gz JPEQZTPBQJJILX-OAHLLOKOSA-N 1 2 360.370 0.512 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000123271780 488584269 /nfs/dbraw/zinc/58/42/69/488584269.db2.gz MJEISZUSUNPSGH-ZDUSSCGKSA-N 1 2 357.432 0.980 10 5 FCBELO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123629906 488586684 /nfs/dbraw/zinc/58/66/84/488586684.db2.gz UHPILXOCIMNMAC-LLVKDONJSA-N 1 2 359.379 0.875 10 5 FCBELO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123629906 488586685 /nfs/dbraw/zinc/58/66/85/488586685.db2.gz UHPILXOCIMNMAC-LLVKDONJSA-N 1 2 359.379 0.875 10 5 FCBELO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000131804289 488648769 /nfs/dbraw/zinc/64/87/69/488648769.db2.gz GPWMVQZNUOMRCK-UHFFFAOYSA-N 1 2 370.373 0.016 10 5 FCBELO COC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000554736823 491221859 /nfs/dbraw/zinc/22/18/59/491221859.db2.gz HYUFHNGKKORCNR-MRXNPFEDSA-N 1 2 351.359 0.277 10 5 FCBELO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742985 488837144 /nfs/dbraw/zinc/83/71/44/488837144.db2.gz BUTUHQNKPPVCOQ-ZDUSSCGKSA-N 1 2 372.381 0.983 10 5 FCBELO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000176002765 488857054 /nfs/dbraw/zinc/85/70/54/488857054.db2.gz UQMZVZNXKVQIKY-CYBMUJFWSA-N 1 2 363.418 0.938 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452102573 489545931 /nfs/dbraw/zinc/54/59/31/489545931.db2.gz IIDHRLIUEGNJIC-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452102573 489545932 /nfs/dbraw/zinc/54/59/32/489545932.db2.gz IIDHRLIUEGNJIC-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000452102823 489546008 /nfs/dbraw/zinc/54/60/08/489546008.db2.gz JBTOCRACHPFMQV-ZDUSSCGKSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000452102823 489546009 /nfs/dbraw/zinc/54/60/09/489546009.db2.gz JBTOCRACHPFMQV-ZDUSSCGKSA-N 1 2 357.432 0.466 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000427196010 489597970 /nfs/dbraw/zinc/59/79/70/489597970.db2.gz ISUHQSZPRYUUSH-UHFFFAOYSA-N 1 2 360.374 0.973 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416661769 489623230 /nfs/dbraw/zinc/62/32/30/489623230.db2.gz JYBLSQAASRABNS-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416661769 489623233 /nfs/dbraw/zinc/62/32/33/489623233.db2.gz JYBLSQAASRABNS-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416671226 489626171 /nfs/dbraw/zinc/62/61/71/489626171.db2.gz VTBRMYMFPLSHMU-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416671226 489626172 /nfs/dbraw/zinc/62/61/72/489626172.db2.gz VTBRMYMFPLSHMU-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416671052 489626218 /nfs/dbraw/zinc/62/62/18/489626218.db2.gz VGKZFNCBGWVVMH-QWRGUYRKSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416671052 489626221 /nfs/dbraw/zinc/62/62/21/489626221.db2.gz VGKZFNCBGWVVMH-QWRGUYRKSA-N 1 2 361.395 0.810 10 5 FCBELO O=C(C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000373966680 489691558 /nfs/dbraw/zinc/69/15/58/489691558.db2.gz DWHLEZVWQPBTPX-UKRRQHHQSA-N 1 2 360.370 0.073 10 5 FCBELO O=C(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000373966680 489691561 /nfs/dbraw/zinc/69/15/61/489691561.db2.gz DWHLEZVWQPBTPX-UKRRQHHQSA-N 1 2 360.370 0.073 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459642189 489743872 /nfs/dbraw/zinc/74/38/72/489743872.db2.gz GODCUMHGNXXZLE-MEDUHNTESA-N 1 2 353.375 0.750 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459642189 489743876 /nfs/dbraw/zinc/74/38/76/489743876.db2.gz GODCUMHGNXXZLE-MEDUHNTESA-N 1 2 353.375 0.750 10 5 FCBELO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000419007707 489815918 /nfs/dbraw/zinc/81/59/18/489815918.db2.gz RVSJVMGUPVMILK-RYUDHWBXSA-N 1 2 357.432 0.890 10 5 FCBELO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000419007707 489815921 /nfs/dbraw/zinc/81/59/21/489815921.db2.gz RVSJVMGUPVMILK-RYUDHWBXSA-N 1 2 357.432 0.890 10 5 FCBELO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432922781 489859175 /nfs/dbraw/zinc/85/91/75/489859175.db2.gz BPUTXVDOMLZBJZ-OAHLLOKOSA-N 1 2 357.432 0.918 10 5 FCBELO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520361288 490137766 /nfs/dbraw/zinc/13/77/66/490137766.db2.gz RPXUDUBWKXZCPC-LBPRGKRZSA-N 1 2 366.374 0.241 10 5 FCBELO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485552377 490541686 /nfs/dbraw/zinc/54/16/86/490541686.db2.gz QDGKRMRMVDGCDA-UHFFFAOYSA-N 1 2 367.402 0.911 10 5 FCBELO COCCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000485791111 490558952 /nfs/dbraw/zinc/55/89/52/490558952.db2.gz LLFMOPKFTWWZPZ-UHFFFAOYSA-N 1 2 366.418 0.484 10 5 FCBELO COCCNC(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000485791111 490558957 /nfs/dbraw/zinc/55/89/57/490558957.db2.gz LLFMOPKFTWWZPZ-UHFFFAOYSA-N 1 2 366.418 0.484 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000537917405 490702548 /nfs/dbraw/zinc/70/25/48/490702548.db2.gz UDAKAYHDPNZJJH-UHFFFAOYSA-N 1 2 358.402 0.880 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1=O ZINC000541227382 490855967 /nfs/dbraw/zinc/85/59/67/490855967.db2.gz BKZCNSYBVDSBHK-GFCCVEGCSA-N 1 2 360.374 0.588 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000543899187 490950659 /nfs/dbraw/zinc/95/06/59/490950659.db2.gz QXLXXKMCTZKQSB-CYBMUJFWSA-N 1 2 353.375 0.511 10 5 FCBELO CNc1nccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000567247514 491494179 /nfs/dbraw/zinc/49/41/79/491494179.db2.gz ITENOQZCDMDIGG-CYBMUJFWSA-N 1 2 363.418 1.358 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000589502262 491762798 /nfs/dbraw/zinc/76/27/98/491762798.db2.gz SFJZSQVEUODZLB-OAHLLOKOSA-N 1 2 367.402 0.506 10 5 FCBELO CN(C[C@H](O)C[NH+]1CCOCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601126500 491897290 /nfs/dbraw/zinc/89/72/90/491897290.db2.gz SBUHJPGZJOZNDK-VIFPVBQESA-N 1 2 367.328 0.476 10 5 FCBELO O=C1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000595288279 491913224 /nfs/dbraw/zinc/91/32/24/491913224.db2.gz MYQPCIAZVBNXKJ-GFCCVEGCSA-N 1 2 368.415 0.037 10 5 FCBELO CN(C)c1c[nH+]ccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000614050581 492011767 /nfs/dbraw/zinc/01/17/67/492011767.db2.gz OKBBBPXSWHVXDY-UHFFFAOYSA-N 1 2 371.353 0.842 10 5 FCBELO CCOC(=O)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597673542 492057930 /nfs/dbraw/zinc/05/79/30/492057930.db2.gz NDTOZEIQDQUUPK-LBPRGKRZSA-N 1 2 362.342 0.824 10 5 FCBELO COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598014980 492079224 /nfs/dbraw/zinc/07/92/24/492079224.db2.gz POUQWRBZCRRNPP-SMDDNHRTSA-N 1 2 360.326 0.841 10 5 FCBELO O=C(NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598363041 492095969 /nfs/dbraw/zinc/09/59/69/492095969.db2.gz FKPKIWUUKXLZHH-GOSISDBHSA-N 1 2 374.397 0.916 10 5 FCBELO O=C(NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598363041 492095970 /nfs/dbraw/zinc/09/59/70/492095970.db2.gz FKPKIWUUKXLZHH-GOSISDBHSA-N 1 2 374.397 0.916 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598941908 492125866 /nfs/dbraw/zinc/12/58/66/492125866.db2.gz HOBBQWGLHKGRPO-JTQLQIEISA-N 1 2 350.356 0.550 10 5 FCBELO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944292 492126452 /nfs/dbraw/zinc/12/64/52/492126452.db2.gz MEZKQONQPIAKBA-LBPRGKRZSA-N 1 2 358.358 0.332 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599193329 492140614 /nfs/dbraw/zinc/14/06/14/492140614.db2.gz JRMDGZKVQXRKEQ-ZDUSSCGKSA-N 1 2 352.395 0.468 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599193329 492140616 /nfs/dbraw/zinc/14/06/16/492140616.db2.gz JRMDGZKVQXRKEQ-ZDUSSCGKSA-N 1 2 352.395 0.468 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599194912 492141116 /nfs/dbraw/zinc/14/11/16/492141116.db2.gz MRWXFLUAJYRBMG-AWEZNQCLSA-N 1 2 364.406 0.152 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599194912 492141117 /nfs/dbraw/zinc/14/11/17/492141117.db2.gz MRWXFLUAJYRBMG-AWEZNQCLSA-N 1 2 364.406 0.152 10 5 FCBELO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599209937 492142714 /nfs/dbraw/zinc/14/27/14/492142714.db2.gz RWVBCLRBVAZCBP-UHFFFAOYSA-N 1 2 364.387 0.965 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000599509793 492182371 /nfs/dbraw/zinc/18/23/71/492182371.db2.gz RCPKJRBNPKZJOD-AWEZNQCLSA-N 1 2 360.374 0.342 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000599633526 492195368 /nfs/dbraw/zinc/19/53/68/492195368.db2.gz UUBPWUDDDMGXON-BMFZPTHFSA-N 1 2 370.427 0.986 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000599633526 492195369 /nfs/dbraw/zinc/19/53/69/492195369.db2.gz UUBPWUDDDMGXON-BMFZPTHFSA-N 1 2 370.427 0.986 10 5 FCBELO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000599765652 492206479 /nfs/dbraw/zinc/20/64/79/492206479.db2.gz FSYVSWUEQRUUBE-AWEZNQCLSA-N 1 2 372.385 0.829 10 5 FCBELO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000599765652 492206480 /nfs/dbraw/zinc/20/64/80/492206480.db2.gz 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C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615247 492254739 /nfs/dbraw/zinc/25/47/39/492254739.db2.gz VQWSVWNKATYVDJ-LBPRGKRZSA-N 1 2 370.431 0.889 10 5 FCBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615247 492254741 /nfs/dbraw/zinc/25/47/41/492254741.db2.gz VQWSVWNKATYVDJ-LBPRGKRZSA-N 1 2 370.431 0.889 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000611219410 492282045 /nfs/dbraw/zinc/28/20/45/492282045.db2.gz JWPOPKQFAQBPEN-CQSZACIVSA-N 1 2 355.420 0.266 10 5 FCBELO COc1c(C)[nH+]cnc1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594547633 547374467 /nfs/dbraw/zinc/37/44/67/547374467.db2.gz WCJPUEBWIGLRSS-UHFFFAOYSA-N 1 2 367.387 1.092 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917046059 667046329 /nfs/dbraw/zinc/04/63/29/667046329.db2.gz UNPMCELFLFWFKD-CQSZACIVSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 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/nfs/dbraw/zinc/78/49/36/1167784936.db2.gz UAIZXQOTAGNZCW-HZPDHXFCSA-N 1 2 360.414 0.285 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCc2ccccc2C1 ZINC001480863287 1167784950 /nfs/dbraw/zinc/78/49/50/1167784950.db2.gz UAIZXQOTAGNZCW-HZPDHXFCSA-N 1 2 360.414 0.285 10 5 FCBELO COCCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001167680706 1180839779 /nfs/dbraw/zinc/83/97/79/1180839779.db2.gz KFSIWQSELWJSMV-MRXNPFEDSA-N 1 2 367.402 0.377 10 5 FCBELO O=C(NCCC1CC[NH+](Cc2nnnn2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482043411 1187586082 /nfs/dbraw/zinc/58/60/82/1187586082.db2.gz SJXMXSNDNFKCGM-ZIAGYGMSSA-N 1 2 363.422 0.392 10 5 FCBELO O=C(NCC1([NH2+]Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277055943 1225815613 /nfs/dbraw/zinc/81/56/13/1225815613.db2.gz YIKAPZXXRLTMKB-DGCLKSJQSA-N 1 2 357.370 0.739 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCN2C(=O)N=NC2C1 ZINC001296787373 1262836566 /nfs/dbraw/zinc/83/65/66/1262836566.db2.gz 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351.407 0.552 10 5 FCBELO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001556539360 1268863367 /nfs/dbraw/zinc/86/33/67/1268863367.db2.gz VTDWOXYLZXHOLC-GFCCVEGCSA-N 1 2 362.390 0.271 10 5 FCBELO CN(CC[N@H+](C)Cc1cc(C(F)(F)F)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480962 1269734348 /nfs/dbraw/zinc/73/43/48/1269734348.db2.gz ZZDKLVGSDDDXPV-GHMZBOCLSA-N 1 2 363.340 0.994 10 5 FCBELO CN(CC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480962 1269734356 /nfs/dbraw/zinc/73/43/56/1269734356.db2.gz ZZDKLVGSDDDXPV-GHMZBOCLSA-N 1 2 363.340 0.994 10 5 FCBELO COc1cccc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001570492364 1269894519 /nfs/dbraw/zinc/89/45/19/1269894519.db2.gz ZNBDTZRDMLLHGF-ZIAGYGMSSA-N 1 2 364.402 0.199 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2cncc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713805652 1287299698 /nfs/dbraw/zinc/29/96/98/1287299698.db2.gz NYHRHWNMNWNAIH-HUUCEWRRSA-N 1 2 351.382 0.120 10 5 FCBELO 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CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCCC2 ZINC001707452458 1287135207 /nfs/dbraw/zinc/13/52/07/1287135207.db2.gz PPLRNDMYMPMZAP-CHWSQXEVSA-N 1 2 350.423 0.608 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2(CF)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001720674395 1288250274 /nfs/dbraw/zinc/25/02/74/1288250274.db2.gz YWSWWJRPJLYADE-CHWSQXEVSA-N 1 2 356.398 0.052 10 5 FCBELO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC001731384817 1288555600 /nfs/dbraw/zinc/55/56/00/1288555600.db2.gz VUQWRKYOLDKRAE-HZPDHXFCSA-N 1 2 366.462 0.881 10 5 FCBELO Cc1ncc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001732063674 1288572830 /nfs/dbraw/zinc/57/28/30/1288572830.db2.gz SVJDHYKJTOKUGU-HZPDHXFCSA-N 1 2 362.434 0.026 10 5 FCBELO CC(C)N(CC[N@H+](C)CC(=O)NCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734548437 1288659254 /nfs/dbraw/zinc/65/92/54/1288659254.db2.gz YVTBBANDOUIEKS-GHMZBOCLSA-N 1 2 368.356 0.499 10 5 FCBELO CC(C)N(CC[N@@H+](C)CC(=O)NCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734548437 1288659263 /nfs/dbraw/zinc/65/92/63/1288659263.db2.gz YVTBBANDOUIEKS-GHMZBOCLSA-N 1 2 368.356 0.499 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC001629979110 1290638228 /nfs/dbraw/zinc/63/82/28/1290638228.db2.gz WGDJYHWTSLYYEK-HNNXBMFYSA-N 1 2 364.402 0.862 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC001630496498 1290671854 /nfs/dbraw/zinc/67/18/54/1290671854.db2.gz FCRVEVJIFYEIFB-LBPRGKRZSA-N 1 2 356.342 0.630 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC001630496495 1290672229 /nfs/dbraw/zinc/67/22/29/1290672229.db2.gz FCRVEVJIFYEIFB-GFCCVEGCSA-N 1 2 356.342 0.630 10 5 FCBELO COC(=O)[C@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001643516231 1290902615 /nfs/dbraw/zinc/90/26/15/1290902615.db2.gz CVVXTINSMPDETL-INIZCTEOSA-N 1 2 360.326 0.531 10 5 FCBELO 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CCOc1cc(C[N@H+]2CCN3CCOC[C@@]3(CO)C2)ccc1[N+](=O)[O-] ZINC001198165981 853224326 /nfs/dbraw/zinc/22/43/26/853224326.db2.gz XFZWEBXHRHUFDU-KRWDZBQOSA-N 1 2 351.403 0.872 10 5 FCBELO O=C(/C=C/C1CC1)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001352659573 867216864 /nfs/dbraw/zinc/21/68/64/867216864.db2.gz LZDDMCCEQJMTMD-DPOFCPOHSA-N 1 2 350.419 0.268 10 5 FCBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1c(C)n[nH]c1C ZINC001317479830 867536429 /nfs/dbraw/zinc/53/64/29/867536429.db2.gz LELVNHOLZXIQTB-VXGBXAGGSA-N 1 2 352.395 0.068 10 5 FCBELO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1c(C)n[nH]c1C ZINC001317479830 867536438 /nfs/dbraw/zinc/53/64/38/867536438.db2.gz LELVNHOLZXIQTB-VXGBXAGGSA-N 1 2 352.395 0.068 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC001331477577 873118106 /nfs/dbraw/zinc/11/81/06/873118106.db2.gz CHSVWEMCNBCTPU-VIFPVBQESA-N 1 2 350.356 0.550 10 5 FCBELO C[C@H](O)[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000412061201 237157421 /nfs/dbraw/zinc/15/74/21/237157421.db2.gz AEKITKJQPUNXHB-XHDPSFHLSA-N 1 2 351.359 0.974 10 5 FCBELO C[C@H](O)[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000412061201 237157428 /nfs/dbraw/zinc/15/74/28/237157428.db2.gz AEKITKJQPUNXHB-XHDPSFHLSA-N 1 2 351.359 0.974 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000367896564 216176118 /nfs/dbraw/zinc/17/61/18/216176118.db2.gz BHMFBQQJQSBKGF-JTQLQIEISA-N 1 2 351.331 0.831 10 5 FCBELO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188722953 209235959 /nfs/dbraw/zinc/23/59/59/209235959.db2.gz POBJORGFXMZEJY-ZDUSSCGKSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188722953 209235964 /nfs/dbraw/zinc/23/59/64/209235964.db2.gz POBJORGFXMZEJY-ZDUSSCGKSA-N 1 2 357.432 0.466 10 5 FCBELO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000182927057 209138892 /nfs/dbraw/zinc/13/88/92/209138892.db2.gz UDEHQSWHZBOHGY-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000182927057 209138888 /nfs/dbraw/zinc/13/88/88/209138888.db2.gz UDEHQSWHZBOHGY-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425289652 247315602 /nfs/dbraw/zinc/31/56/02/247315602.db2.gz DKARNAHSHGPJBU-HOTGVXAUSA-N 1 2 365.430 0.973 10 5 FCBELO O=C(C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000425543651 247350270 /nfs/dbraw/zinc/35/02/70/247350270.db2.gz IATGVCTXBAWVRL-SECBINFHSA-N 1 2 360.330 0.870 10 5 FCBELO O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000425543651 247350275 /nfs/dbraw/zinc/35/02/75/247350275.db2.gz IATGVCTXBAWVRL-SECBINFHSA-N 1 2 360.330 0.870 10 5 FCBELO O=C(C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1)N1CCCC1 ZINC000472236497 250141747 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CNC(=O)C[N@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000364195964 488933669 /nfs/dbraw/zinc/93/36/69/488933669.db2.gz PEIJFKMGGLVVTO-UHFFFAOYSA-N 1 2 351.363 0.035 10 5 FCBELO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1[N+](=O)[O-] ZINC000271755974 488544494 /nfs/dbraw/zinc/54/44/94/488544494.db2.gz NXXZHYOIFROXCG-VIFPVBQESA-N 1 2 358.358 0.719 10 5 FCBELO CC(=O)NCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000150076178 488698184 /nfs/dbraw/zinc/69/81/84/488698184.db2.gz NKTJGKVLAIQWBR-UHFFFAOYSA-N 1 2 370.431 0.427 10 5 FCBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCO)CC[NH+]1CCOCC1 ZINC000152353296 488716296 /nfs/dbraw/zinc/71/62/96/488716296.db2.gz FKVWPPFCGVPWLL-UHFFFAOYSA-N 1 2 362.386 0.843 10 5 FCBELO Cc1nn(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172759265 488837642 /nfs/dbraw/zinc/83/76/42/488837642.db2.gz QHDUALNCYXUXIQ-CQSZACIVSA-N 1 2 351.407 0.731 10 5 FCBELO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C 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/nfs/dbraw/zinc/54/68/54/489546854.db2.gz KQGCBLKMFSRDTN-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000427635010 489616088 /nfs/dbraw/zinc/61/60/88/489616088.db2.gz ZSCGHBPVZRCXFJ-ZDUSSCGKSA-N 1 2 367.406 0.375 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416657251 489622118 /nfs/dbraw/zinc/62/21/18/489622118.db2.gz FCYBPUQOBKXJFQ-QWHCGFSZSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416657251 489622122 /nfs/dbraw/zinc/62/21/22/489622122.db2.gz FCYBPUQOBKXJFQ-QWHCGFSZSA-N 1 2 357.432 0.812 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416673167 489626092 /nfs/dbraw/zinc/62/60/92/489626092.db2.gz ZSSMVWDDCYNZSU-OLZOCXBDSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416673167 489626094 /nfs/dbraw/zinc/62/60/94/489626094.db2.gz ZSSMVWDDCYNZSU-OLZOCXBDSA-N 1 2 357.432 0.979 10 5 FCBELO CCOc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000434484975 489931907 /nfs/dbraw/zinc/93/19/07/489931907.db2.gz SDGXZEFLHMSRBM-CQSZACIVSA-N 1 2 367.402 0.759 10 5 FCBELO Cc1nc(N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000565862417 491404305 /nfs/dbraw/zinc/40/43/05/491404305.db2.gz YOAHMPBTGWOJSP-UHFFFAOYSA-N 1 2 364.387 0.599 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000576868241 491652628 /nfs/dbraw/zinc/65/26/28/491652628.db2.gz OXCBZSUHSARNRE-LBPRGKRZSA-N 1 2 364.402 0.621 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000576868241 491652631 /nfs/dbraw/zinc/65/26/31/491652631.db2.gz OXCBZSUHSARNRE-LBPRGKRZSA-N 1 2 364.402 0.621 10 5 FCBELO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587084081 491734578 /nfs/dbraw/zinc/73/45/78/491734578.db2.gz FPKICYXLQMNITQ-NSHDSACASA-N 1 2 363.418 0.458 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000589495389 491763030 /nfs/dbraw/zinc/76/30/30/491763030.db2.gz WKDTZOJNQVWQSL-UHFFFAOYSA-N 1 2 364.402 0.587 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000589502012 491763038 /nfs/dbraw/zinc/76/30/38/491763038.db2.gz ALMNBHNQXMSYDW-LBPRGKRZSA-N 1 2 357.388 0.505 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000589502012 491763039 /nfs/dbraw/zinc/76/30/39/491763039.db2.gz ALMNBHNQXMSYDW-LBPRGKRZSA-N 1 2 357.388 0.505 10 5 FCBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)[C@H]2C1 ZINC000590442971 491776718 /nfs/dbraw/zinc/77/67/18/491776718.db2.gz CKOBCGYIVLZVKZ-YGRLFVJLSA-N 1 2 353.400 0.774 10 5 FCBELO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)[C@H]2C1 ZINC000590442971 491776720 /nfs/dbraw/zinc/77/67/20/491776720.db2.gz CKOBCGYIVLZVKZ-YGRLFVJLSA-N 1 2 353.400 0.774 10 5 FCBELO 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C[C@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001620644130 1290012109 /nfs/dbraw/zinc/01/21/09/1290012109.db2.gz ZWQZOGKOPGSSBW-WOSRLPQWSA-N 1 2 370.427 0.701 10 5 FCBELO C[C@]12C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 ZINC001620644130 1290012119 /nfs/dbraw/zinc/01/21/19/1290012119.db2.gz ZWQZOGKOPGSSBW-WOSRLPQWSA-N 1 2 370.427 0.701 10 5 FCBELO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001624407295 1290269277 /nfs/dbraw/zinc/26/92/77/1290269277.db2.gz CIHPRIBJDLJCEB-UHFFFAOYSA-N 1 2 358.358 0.958 10 5 FCBELO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001626229713 1290382715 /nfs/dbraw/zinc/38/27/15/1290382715.db2.gz WLFWUPVZUYUTKJ-PWSUYJOCSA-N 1 2 364.383 0.943 10 5 FCBELO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001631261447 1290722949 /nfs/dbraw/zinc/72/29/49/1290722949.db2.gz FMKAUFRUVSAJFP-ZDUSSCGKSA-N 1 2 366.349 0.826 10 5 FCBELO 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FCBELO COC(=O)c1cc(C)nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000283734951 213000278 /nfs/dbraw/zinc/00/02/78/213000278.db2.gz IGHBKUUMDQUSME-GFCCVEGCSA-N 1 2 368.390 0.214 10 5 FCBELO COCC(COC)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000412555109 237226392 /nfs/dbraw/zinc/22/63/92/237226392.db2.gz QRFKORWRXUGWJY-UHFFFAOYSA-N 1 2 352.391 0.717 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368166174 216211187 /nfs/dbraw/zinc/21/11/87/216211187.db2.gz XWHXQXXNHVZXKE-AWEZNQCLSA-N 1 2 366.418 0.088 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368166174 216211189 /nfs/dbraw/zinc/21/11/89/216211189.db2.gz XWHXQXXNHVZXKE-AWEZNQCLSA-N 1 2 366.418 0.088 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368166175 216211259 /nfs/dbraw/zinc/21/12/59/216211259.db2.gz XWHXQXXNHVZXKE-CQSZACIVSA-N 1 2 366.418 0.088 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368166175 216211260 /nfs/dbraw/zinc/21/12/60/216211260.db2.gz XWHXQXXNHVZXKE-CQSZACIVSA-N 1 2 366.418 0.088 10 5 FCBELO CCO[C@@H]1C[C@@]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)(C(=O)OC)C1(C)C ZINC000275492431 212037395 /nfs/dbraw/zinc/03/73/95/212037395.db2.gz GDDNSFZHEOBZIX-WOSRLPQWSA-N 1 2 370.406 0.489 10 5 FCBELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181692628 209120807 /nfs/dbraw/zinc/12/08/07/209120807.db2.gz DVUPTLRNIVTOFP-OAHLLOKOSA-N 1 2 365.415 0.805 10 5 FCBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425289656 247315089 /nfs/dbraw/zinc/31/50/89/247315089.db2.gz DKARNAHSHGPJBU-JKSUJKDBSA-N 1 2 365.430 0.973 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000269904995 211114354 /nfs/dbraw/zinc/11/43/54/211114354.db2.gz ZJAHOTOIFRNWMU-LBPRGKRZSA-N 1 2 373.431 0.681 10 5 FCBELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000104798975 208185618 /nfs/dbraw/zinc/18/56/18/208185618.db2.gz UHGFIZQSSHUMAS-INIZCTEOSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000104798975 208185622 /nfs/dbraw/zinc/18/56/22/208185622.db2.gz UHGFIZQSSHUMAS-INIZCTEOSA-N 1 2 363.418 0.757 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000327049850 488917783 /nfs/dbraw/zinc/91/77/83/488917783.db2.gz IIJNLUUATQSCKC-UHFFFAOYSA-N 1 2 373.431 0.681 10 5 FCBELO CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025913934 487673672 /nfs/dbraw/zinc/67/36/72/487673672.db2.gz GFGQJXQVYGUASN-UHFFFAOYSA-N 1 2 356.404 0.037 10 5 FCBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000067794279 488355996 /nfs/dbraw/zinc/35/59/96/488355996.db2.gz IIPPEZHFHVVFPA-UHFFFAOYSA-N 1 2 364.402 0.840 10 5 FCBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000067794279 488355997 /nfs/dbraw/zinc/35/59/97/488355997.db2.gz IIPPEZHFHVVFPA-UHFFFAOYSA-N 1 2 364.402 0.840 10 5 FCBELO COC(=O)c1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000268462377 488421081 /nfs/dbraw/zinc/42/10/81/488421081.db2.gz FJHHEXFQJHXUCJ-CQSZACIVSA-N 1 2 367.402 0.819 10 5 FCBELO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000115410877 488544076 /nfs/dbraw/zinc/54/40/76/488544076.db2.gz RVRMWBINIRINSV-LLVKDONJSA-N 1 2 354.317 0.884 10 5 FCBELO COCC[N@@H+]1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000116884801 488549378 /nfs/dbraw/zinc/54/93/78/488549378.db2.gz HJKDNNSRGIWALB-NSHDSACASA-N 1 2 374.419 0.001 10 5 FCBELO COCC[N@H+]1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000116884801 488549381 /nfs/dbraw/zinc/54/93/81/488549381.db2.gz HJKDNNSRGIWALB-NSHDSACASA-N 1 2 374.419 0.001 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000123306385 488584245 /nfs/dbraw/zinc/58/42/45/488584245.db2.gz IZBNBMSXDCJEPY-ZDUSSCGKSA-N 1 2 357.432 0.980 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563059110 491210943 /nfs/dbraw/zinc/21/09/43/491210943.db2.gz MXPMDWACWLXTDZ-LBPRGKRZSA-N 1 2 357.432 0.844 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563059110 491210944 /nfs/dbraw/zinc/21/09/44/491210944.db2.gz MXPMDWACWLXTDZ-LBPRGKRZSA-N 1 2 357.432 0.844 10 5 FCBELO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000124715932 488595094 /nfs/dbraw/zinc/59/50/94/488595094.db2.gz VLQKMXJXDRVJPO-NWDGAFQWSA-N 1 2 357.432 0.890 10 5 FCBELO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000124715932 488595095 /nfs/dbraw/zinc/59/50/95/488595095.db2.gz VLQKMXJXDRVJPO-NWDGAFQWSA-N 1 2 357.432 0.890 10 5 FCBELO CCOCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264788083 488711986 /nfs/dbraw/zinc/71/19/86/488711986.db2.gz WIFKBDZLBMGWSE-UHFFFAOYSA-N 1 2 373.431 0.946 10 5 FCBELO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274920523 488743900 /nfs/dbraw/zinc/74/39/00/488743900.db2.gz JEVKRXIXOMWCAG-UHFFFAOYSA-N 1 2 350.375 0.537 10 5 FCBELO CCOC1CC(CNC(=O)c2ccc([N+](=O)[O-])cn2)([NH+]2CCOCC2)C1 ZINC000365048945 489033073 /nfs/dbraw/zinc/03/30/73/489033073.db2.gz WLCIMTKELYWPHJ-UHFFFAOYSA-N 1 2 364.402 0.990 10 5 FCBELO O=C(C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281112868 489054558 /nfs/dbraw/zinc/05/45/58/489054558.db2.gz WXLLYJRKPHNTRV-UHFFFAOYSA-N 1 2 372.385 0.775 10 5 FCBELO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000555543471 491253593 /nfs/dbraw/zinc/25/35/93/491253593.db2.gz YZEVJUKHEYOVBF-GFCCVEGCSA-N 1 2 360.370 0.566 10 5 FCBELO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363460922 489469630 /nfs/dbraw/zinc/46/96/30/489469630.db2.gz KMMYBAMFEILOAW-HNNXBMFYSA-N 1 2 367.431 0.709 10 5 FCBELO O=C(C[N@H+]1CC[C@](O)(C(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451442376 489504909 /nfs/dbraw/zinc/50/49/09/489504909.db2.gz VTHGMVLMCWHZCY-CQSZACIVSA-N 1 2 359.285 0.964 10 5 FCBELO O=C(C[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451442376 489504910 /nfs/dbraw/zinc/50/49/10/489504910.db2.gz VTHGMVLMCWHZCY-CQSZACIVSA-N 1 2 359.285 0.964 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452102570 489546287 /nfs/dbraw/zinc/54/62/87/489546287.db2.gz IIDHRLIUEGNJIC-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452102570 489546290 /nfs/dbraw/zinc/54/62/90/489546290.db2.gz IIDHRLIUEGNJIC-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000427405749 489606708 /nfs/dbraw/zinc/60/67/08/489606708.db2.gz NMYCLKSDMLEOGP-JTQLQIEISA-N 1 2 370.793 0.712 10 5 FCBELO C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000427405749 489606711 /nfs/dbraw/zinc/60/67/11/489606711.db2.gz NMYCLKSDMLEOGP-JTQLQIEISA-N 1 2 370.793 0.712 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)n1 ZINC000427706392 489618193 /nfs/dbraw/zinc/61/81/93/489618193.db2.gz UBLUVPSVPNUUMX-LLVKDONJSA-N 1 2 353.379 0.521 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)n1 ZINC000427706392 489618197 /nfs/dbraw/zinc/61/81/97/489618197.db2.gz UBLUVPSVPNUUMX-LLVKDONJSA-N 1 2 353.379 0.521 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416664468 489623812 /nfs/dbraw/zinc/62/38/12/489623812.db2.gz NDKKQBMPMDHFEE-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416664468 489623814 /nfs/dbraw/zinc/62/38/14/489623814.db2.gz NDKKQBMPMDHFEE-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000416671385 489626179 /nfs/dbraw/zinc/62/61/79/489626179.db2.gz WCVNXUJTSAUIHA-KGLIPLIRSA-N 1 2 371.459 0.854 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000416671385 489626181 /nfs/dbraw/zinc/62/61/81/489626181.db2.gz WCVNXUJTSAUIHA-KGLIPLIRSA-N 1 2 371.459 0.854 10 5 FCBELO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419007705 489816206 /nfs/dbraw/zinc/81/62/06/489816206.db2.gz RVSJVMGUPVMILK-NEPJUHHUSA-N 1 2 357.432 0.890 10 5 FCBELO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419007705 489816210 /nfs/dbraw/zinc/81/62/10/489816210.db2.gz RVSJVMGUPVMILK-NEPJUHHUSA-N 1 2 357.432 0.890 10 5 FCBELO COC(=O)c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000521409895 490258245 /nfs/dbraw/zinc/25/82/45/490258245.db2.gz CKNWMYAJJNRYPH-UHFFFAOYSA-N 1 2 366.355 0.824 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000411372519 490441770 /nfs/dbraw/zinc/44/17/70/490441770.db2.gz DIVNCEQXMYQCEB-CYBMUJFWSA-N 1 2 364.402 0.675 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000411372519 490441778 /nfs/dbraw/zinc/44/17/78/490441778.db2.gz DIVNCEQXMYQCEB-CYBMUJFWSA-N 1 2 364.402 0.675 10 5 FCBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000511902670 490636335 /nfs/dbraw/zinc/63/63/35/490636335.db2.gz GCANMBDTUDZWBX-ZDUSSCGKSA-N 1 2 374.397 0.949 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000514904684 490796998 /nfs/dbraw/zinc/79/69/98/490796998.db2.gz QGGGUTHYSQDNBH-HNNXBMFYSA-N 1 2 369.447 0.749 10 5 FCBELO O=C(C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000505589528 490833927 /nfs/dbraw/zinc/83/39/27/490833927.db2.gz DRBHMBRKHMGYHQ-UHFFFAOYSA-N 1 2 366.393 0.710 10 5 FCBELO O=C(C[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000506016177 490847637 /nfs/dbraw/zinc/84/76/37/490847637.db2.gz FUBGORAQLUEVNF-UHFFFAOYSA-N 1 2 364.402 0.277 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000543899188 490950756 /nfs/dbraw/zinc/95/07/56/490950756.db2.gz QXLXXKMCTZKQSB-ZDUSSCGKSA-N 1 2 353.375 0.511 10 5 FCBELO Cc1nc(N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)cc[nH+]1 ZINC000544767214 490979986 /nfs/dbraw/zinc/97/99/86/490979986.db2.gz LEZFNBHRQDMINV-UHFFFAOYSA-N 1 2 359.390 0.974 10 5 FCBELO CNS(=O)(=O)c1ccc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000580308200 491725074 /nfs/dbraw/zinc/72/50/74/491725074.db2.gz YDPKNOCIILRGSP-SNVBAGLBSA-N 1 2 361.445 0.926 10 5 FCBELO CNS(=O)(=O)c1ccc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000580308200 491725076 /nfs/dbraw/zinc/72/50/76/491725076.db2.gz YDPKNOCIILRGSP-SNVBAGLBSA-N 1 2 361.445 0.926 10 5 FCBELO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589499873 491763063 /nfs/dbraw/zinc/76/30/63/491763063.db2.gz JHPKMOPNIHASOB-ZDUSSCGKSA-N 1 2 371.415 0.895 10 5 FCBELO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589499873 491763064 /nfs/dbraw/zinc/76/30/64/491763064.db2.gz JHPKMOPNIHASOB-ZDUSSCGKSA-N 1 2 371.415 0.895 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000589511342 491763355 /nfs/dbraw/zinc/76/33/55/491763355.db2.gz FZBPXKJCLIKYCB-LBPRGKRZSA-N 1 2 357.388 0.634 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000589511342 491763356 /nfs/dbraw/zinc/76/33/56/491763356.db2.gz FZBPXKJCLIKYCB-LBPRGKRZSA-N 1 2 357.388 0.634 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000590052809 491769008 /nfs/dbraw/zinc/76/90/08/491769008.db2.gz SJUVQQLJYGJBSR-CYBMUJFWSA-N 1 2 371.415 0.847 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000590052809 491769009 /nfs/dbraw/zinc/76/90/09/491769009.db2.gz SJUVQQLJYGJBSR-CYBMUJFWSA-N 1 2 371.415 0.847 10 5 FCBELO CCOC(=O)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000590382657 491774598 /nfs/dbraw/zinc/77/45/98/491774598.db2.gz JAPCDEZLYOJKOP-GFCCVEGCSA-N 1 2 362.342 0.824 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000590588762 491780097 /nfs/dbraw/zinc/78/00/97/491780097.db2.gz QMVDEISLACSKIR-UHFFFAOYSA-N 1 2 371.415 0.556 10 5 FCBELO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590589314 491780504 /nfs/dbraw/zinc/78/05/04/491780504.db2.gz UXBJKMISQHYCKR-UHFFFAOYSA-N 1 2 355.416 0.689 10 5 FCBELO Cc1nn(C)c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600681547 491875545 /nfs/dbraw/zinc/87/55/45/491875545.db2.gz JSYMLHIOWZZAHN-AWEZNQCLSA-N 1 2 374.401 0.663 10 5 FCBELO Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600681547 491875547 /nfs/dbraw/zinc/87/55/47/491875547.db2.gz JSYMLHIOWZZAHN-AWEZNQCLSA-N 1 2 374.401 0.663 10 5 FCBELO C[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000612469404 491922114 /nfs/dbraw/zinc/92/21/14/491922114.db2.gz IHOFDYKELUVAQJ-LBPRGKRZSA-N 1 2 370.431 0.762 10 5 FCBELO C[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000612469404 491922115 /nfs/dbraw/zinc/92/21/15/491922115.db2.gz IHOFDYKELUVAQJ-LBPRGKRZSA-N 1 2 370.431 0.762 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614854185 492060423 /nfs/dbraw/zinc/06/04/23/492060423.db2.gz YGRNESWKRNJIKL-UHFFFAOYSA-N 1 2 373.431 0.681 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614854185 492060424 /nfs/dbraw/zinc/06/04/24/492060424.db2.gz YGRNESWKRNJIKL-UHFFFAOYSA-N 1 2 373.431 0.681 10 5 FCBELO C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1[nH+]ccn1C ZINC000598460163 492099981 /nfs/dbraw/zinc/09/99/81/492099981.db2.gz REDASIJTHSCYSG-SECBINFHSA-N 1 2 357.326 0.802 10 5 FCBELO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507212 492102047 /nfs/dbraw/zinc/10/20/47/492102047.db2.gz RZOOXQCOMFASGB-INIZCTEOSA-N 1 2 372.429 0.724 10 5 FCBELO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507212 492102049 /nfs/dbraw/zinc/10/20/49/492102049.db2.gz RZOOXQCOMFASGB-INIZCTEOSA-N 1 2 372.429 0.724 10 5 FCBELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507213 492102154 /nfs/dbraw/zinc/10/21/54/492102154.db2.gz RZOOXQCOMFASGB-MRXNPFEDSA-N 1 2 372.429 0.724 10 5 FCBELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000598507213 492102155 /nfs/dbraw/zinc/10/21/55/492102155.db2.gz RZOOXQCOMFASGB-MRXNPFEDSA-N 1 2 372.429 0.724 10 5 FCBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598944476 492126487 /nfs/dbraw/zinc/12/64/87/492126487.db2.gz NZYNFCYFQVAACJ-JQWIXIFHSA-N 1 2 359.342 0.730 10 5 FCBELO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000599086838 492134166 /nfs/dbraw/zinc/13/41/66/492134166.db2.gz VDTPHQQZXROKCY-LBPRGKRZSA-N 1 2 356.448 0.996 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000599319889 492159982 /nfs/dbraw/zinc/15/99/82/492159982.db2.gz NKBTZQKQLQOYSE-SNVBAGLBSA-N 1 2 354.392 0.834 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)nc1 ZINC000599501551 492181654 /nfs/dbraw/zinc/18/16/54/492181654.db2.gz ZVVZEGFZJCBCRV-UHFFFAOYSA-N 1 2 356.404 0.475 10 5 FCBELO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000599563094 492187692 /nfs/dbraw/zinc/18/76/92/492187692.db2.gz ICMVXTLHTGJBMY-PBHICJAKSA-N 1 2 363.370 0.964 10 5 FCBELO COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000599563094 492187694 /nfs/dbraw/zinc/18/76/94/492187694.db2.gz ICMVXTLHTGJBMY-PBHICJAKSA-N 1 2 363.370 0.964 10 5 FCBELO COc1cc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000599617599 492194143 /nfs/dbraw/zinc/19/41/43/492194143.db2.gz FHLROSPSUXDLEA-UHFFFAOYSA-N 1 2 364.402 0.774 10 5 FCBELO COc1cc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000599617599 492194145 /nfs/dbraw/zinc/19/41/45/492194145.db2.gz FHLROSPSUXDLEA-UHFFFAOYSA-N 1 2 364.402 0.774 10 5 FCBELO CC(C)(C)CC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335779 492242800 /nfs/dbraw/zinc/24/28/00/492242800.db2.gz LGQOWVBZKYESPI-AWEZNQCLSA-N 1 2 353.423 0.733 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000600232198 492251731 /nfs/dbraw/zinc/25/17/31/492251731.db2.gz PBHYZWGOTBZRMT-MRXNPFEDSA-N 1 2 367.406 0.226 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000600232198 492251734 /nfs/dbraw/zinc/25/17/34/492251734.db2.gz PBHYZWGOTBZRMT-MRXNPFEDSA-N 1 2 367.406 0.226 10 5 FCBELO COC(=O)c1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000610769537 492261670 /nfs/dbraw/zinc/26/16/70/492261670.db2.gz YGTDSCXTCNMBLK-UHFFFAOYSA-N 1 2 364.402 0.900 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420217 492268385 /nfs/dbraw/zinc/26/83/85/492268385.db2.gz KBBPZKWEFTZSPU-NWDGAFQWSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420217 492268387 /nfs/dbraw/zinc/26/83/87/492268387.db2.gz KBBPZKWEFTZSPU-NWDGAFQWSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600419233 492268444 /nfs/dbraw/zinc/26/84/44/492268444.db2.gz GDEYZUMRIMVWIG-GFCCVEGCSA-N 1 2 360.370 0.969 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600419233 492268446 /nfs/dbraw/zinc/26/84/46/492268446.db2.gz GDEYZUMRIMVWIG-GFCCVEGCSA-N 1 2 360.370 0.969 10 5 FCBELO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000425290106 534370660 /nfs/dbraw/zinc/37/06/60/534370660.db2.gz FFZDQKRDWQATKF-LBPRGKRZSA-N 1 2 369.393 0.821 10 5 FCBELO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000416364909 546911629 /nfs/dbraw/zinc/91/16/29/546911629.db2.gz AAYSIJHHNUZGFZ-SNVBAGLBSA-N 1 2 368.371 0.945 10 5 FCBELO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772259 547008303 /nfs/dbraw/zinc/00/83/03/547008303.db2.gz XITAYHRNQUAKNZ-LLVKDONJSA-N 1 2 358.420 0.456 10 5 FCBELO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772259 547008308 /nfs/dbraw/zinc/00/83/08/547008308.db2.gz XITAYHRNQUAKNZ-LLVKDONJSA-N 1 2 358.420 0.456 10 5 FCBELO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594794481 547011748 /nfs/dbraw/zinc/01/17/48/547011748.db2.gz JPIFFDMKMNUKOY-LBPRGKRZSA-N 1 2 370.431 0.864 10 5 FCBELO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594794481 547011749 /nfs/dbraw/zinc/01/17/49/547011749.db2.gz JPIFFDMKMNUKOY-LBPRGKRZSA-N 1 2 370.431 0.864 10 5 FCBELO COc1ccc(CSCC(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913554015 666549613 /nfs/dbraw/zinc/54/96/13/666549613.db2.gz WVWMLQLMNRIMCR-ZDUSSCGKSA-N 1 2 369.443 0.972 10 5 FCBELO COc1ccc(CSCC(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913554015 666549616 /nfs/dbraw/zinc/54/96/16/666549616.db2.gz WVWMLQLMNRIMCR-ZDUSSCGKSA-N 1 2 369.443 0.972 10 5 FCBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650676 666829143 /nfs/dbraw/zinc/82/91/43/666829143.db2.gz MFHJXRWZDXUFSF-UHFFFAOYSA-N 1 2 370.431 0.537 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(F)c1 ZINC000917046061 667046316 /nfs/dbraw/zinc/04/63/16/667046316.db2.gz UNZBAGYYNBVHFF-LBPRGKRZSA-N 1 2 358.395 0.402 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(F)c1 ZINC000917046061 667046319 /nfs/dbraw/zinc/04/63/19/667046319.db2.gz UNZBAGYYNBVHFF-LBPRGKRZSA-N 1 2 358.395 0.402 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1C ZINC000917046069 667046362 /nfs/dbraw/zinc/04/63/62/667046362.db2.gz URTIKINCWSSXIA-OAHLLOKOSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1C ZINC000917046069 667046366 /nfs/dbraw/zinc/04/63/66/667046366.db2.gz URTIKINCWSSXIA-OAHLLOKOSA-N 1 2 368.459 0.880 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917051499 667047848 /nfs/dbraw/zinc/04/78/48/667047848.db2.gz WODGDXPHCCMLOX-HNNXBMFYSA-N 1 2 368.459 0.825 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917051499 667047852 /nfs/dbraw/zinc/04/78/52/667047852.db2.gz WODGDXPHCCMLOX-HNNXBMFYSA-N 1 2 368.459 0.825 10 5 FCBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917051564 667048435 /nfs/dbraw/zinc/04/84/35/667048435.db2.gz XCEVQSCIVVUPNO-GFCCVEGCSA-N 1 2 374.850 0.916 10 5 FCBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917051564 667048436 /nfs/dbraw/zinc/04/84/36/667048436.db2.gz XCEVQSCIVVUPNO-GFCCVEGCSA-N 1 2 374.850 0.916 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])s1 ZINC000917067062 667053057 /nfs/dbraw/zinc/05/30/57/667053057.db2.gz UZELXUOZLDZXIG-LLVKDONJSA-N 1 2 360.461 0.633 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c([N+](=O)[O-])s1 ZINC000917067062 667053059 /nfs/dbraw/zinc/05/30/59/667053059.db2.gz UZELXUOZLDZXIG-LLVKDONJSA-N 1 2 360.461 0.633 10 5 FCBELO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000837191332 670085287 /nfs/dbraw/zinc/08/52/87/670085287.db2.gz PRQDFOZBNWEBAS-LLVKDONJSA-N 1 2 354.382 0.939 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000837191332 670085295 /nfs/dbraw/zinc/08/52/95/670085295.db2.gz PRQDFOZBNWEBAS-LLVKDONJSA-N 1 2 354.382 0.939 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842865219 670747021 /nfs/dbraw/zinc/74/70/21/670747021.db2.gz NZLBSVARSTVHBG-SECBINFHSA-N 1 2 351.331 0.831 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(=O)Nc1ccccc1 ZINC001267193782 1172093840 /nfs/dbraw/zinc/09/38/40/1172093840.db2.gz CTBIKIRXTWHBCQ-CHWSQXEVSA-N 1 2 363.374 0.048 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(=O)Nc1ccccc1 ZINC001267193782 1172093851 /nfs/dbraw/zinc/09/38/51/1172093851.db2.gz CTBIKIRXTWHBCQ-CHWSQXEVSA-N 1 2 363.374 0.048 10 5 FCBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC001480974642 1181859075 /nfs/dbraw/zinc/85/90/75/1181859075.db2.gz QUJUAOAAJXRLOG-VXGBXAGGSA-N 1 2 365.415 0.359 10 5 FCBELO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC001480974642 1181859077 /nfs/dbraw/zinc/85/90/77/1181859077.db2.gz QUJUAOAAJXRLOG-VXGBXAGGSA-N 1 2 365.415 0.359 10 5 FCBELO O=C(NCC=CC[NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268542584 1187586141 /nfs/dbraw/zinc/58/61/41/1187586141.db2.gz RCHLYFGQARLWOY-YTRGCGJWSA-N 1 2 357.370 0.763 10 5 FCBELO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2C[C@@H]21 ZINC001176756299 1206320123 /nfs/dbraw/zinc/32/01/23/1206320123.db2.gz WVRHCXVGBJYWDG-MJBXVCDLSA-N 1 2 367.406 0.846 10 5 FCBELO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2C[C@@H]21 ZINC001176756299 1206320127 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C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000452103579 489546044 /nfs/dbraw/zinc/54/60/44/489546044.db2.gz KVOQCCKHLLVJGO-CYBMUJFWSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000452103579 489546045 /nfs/dbraw/zinc/54/60/45/489546045.db2.gz KVOQCCKHLLVJGO-CYBMUJFWSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452102259 489546311 /nfs/dbraw/zinc/54/63/11/489546311.db2.gz HTCZIPBDWSICHB-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452102259 489546315 /nfs/dbraw/zinc/54/63/15/489546315.db2.gz HTCZIPBDWSICHB-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)n1 ZINC000427372531 489604746 /nfs/dbraw/zinc/60/47/46/489604746.db2.gz OEFQFOWZSWDNDN-LLVKDONJSA-N 1 2 353.379 0.521 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)n1 ZINC000427372531 489604750 /nfs/dbraw/zinc/60/47/50/489604750.db2.gz OEFQFOWZSWDNDN-LLVKDONJSA-N 1 2 353.379 0.521 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416651022 489621041 /nfs/dbraw/zinc/62/10/41/489621041.db2.gz AYUDSUJLPBYRIF-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416651022 489621044 /nfs/dbraw/zinc/62/10/44/489621044.db2.gz AYUDSUJLPBYRIF-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@@H+]1CCO ZINC000428529066 489651856 /nfs/dbraw/zinc/65/18/56/489651856.db2.gz SJWPWKWLKXTWPS-GFCCVEGCSA-N 1 2 369.443 0.818 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@H+]1CCO ZINC000428529066 489651860 /nfs/dbraw/zinc/65/18/60/489651860.db2.gz SJWPWKWLKXTWPS-GFCCVEGCSA-N 1 2 369.443 0.818 10 5 FCBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN2C(=O)N=NC2C1 ZINC000460103818 489849243 /nfs/dbraw/zinc/84/92/43/489849243.db2.gz LIBREDDKKGYZLW-UHFFFAOYSA-N 1 2 355.314 0.734 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434797065 489958034 /nfs/dbraw/zinc/95/80/34/489958034.db2.gz WMFKRQIFWVWHJH-INIZCTEOSA-N 1 2 361.358 0.516 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434797065 489958036 /nfs/dbraw/zinc/95/80/36/489958036.db2.gz WMFKRQIFWVWHJH-INIZCTEOSA-N 1 2 361.358 0.516 10 5 FCBELO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cncnc1 ZINC000421382497 490077492 /nfs/dbraw/zinc/07/74/92/490077492.db2.gz KVXOQHVGNXDZKN-UHFFFAOYSA-N 1 2 351.388 0.795 10 5 FCBELO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cncnc1 ZINC000421382497 490077496 /nfs/dbraw/zinc/07/74/96/490077496.db2.gz KVXOQHVGNXDZKN-UHFFFAOYSA-N 1 2 351.388 0.795 10 5 FCBELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000447682711 490257430 /nfs/dbraw/zinc/25/74/30/490257430.db2.gz JCVPOJXAANDQFH-UHFFFAOYSA-N 1 2 358.358 0.273 10 5 FCBELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000447682711 490257434 /nfs/dbraw/zinc/25/74/34/490257434.db2.gz JCVPOJXAANDQFH-UHFFFAOYSA-N 1 2 358.358 0.273 10 5 FCBELO Cc1n[nH]c(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000408149774 490259453 /nfs/dbraw/zinc/25/94/53/490259453.db2.gz MPDQXSXBZCKMQU-LLVKDONJSA-N 1 2 350.379 0.005 10 5 FCBELO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000408149774 490259459 /nfs/dbraw/zinc/25/94/59/490259459.db2.gz MPDQXSXBZCKMQU-LLVKDONJSA-N 1 2 350.379 0.005 10 5 FCBELO C[NH+]1CCN(S(=O)(=O)c2ccc(NC3(CO)CC3)c([N+](=O)[O-])c2)CC1 ZINC000511603563 490605952 /nfs/dbraw/zinc/60/59/52/490605952.db2.gz LVCUTFAQXZKYFA-UHFFFAOYSA-N 1 2 370.431 0.468 10 5 FCBELO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000568454670 491578383 /nfs/dbraw/zinc/57/83/83/491578383.db2.gz ZHOKGWBGQZNOOR-UHFFFAOYSA-N 1 2 360.374 0.449 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000584467563 491594290 /nfs/dbraw/zinc/59/42/90/491594290.db2.gz SYYSGXIZJMTLOA-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000584467563 491594293 /nfs/dbraw/zinc/59/42/93/491594293.db2.gz SYYSGXIZJMTLOA-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000589502011 491763022 /nfs/dbraw/zinc/76/30/22/491763022.db2.gz ALMNBHNQXMSYDW-GFCCVEGCSA-N 1 2 357.388 0.505 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000589502011 491763023 /nfs/dbraw/zinc/76/30/23/491763023.db2.gz ALMNBHNQXMSYDW-GFCCVEGCSA-N 1 2 357.388 0.505 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590588370 491780106 /nfs/dbraw/zinc/78/01/06/491780106.db2.gz NZVNZDPMACOUDG-UHFFFAOYSA-N 1 2 355.416 0.856 10 5 FCBELO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600679787 491874933 /nfs/dbraw/zinc/87/49/33/491874933.db2.gz ATCAMKUZEZAONW-CQSZACIVSA-N 1 2 373.369 0.721 10 5 FCBELO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600679787 491874936 /nfs/dbraw/zinc/87/49/36/491874936.db2.gz ATCAMKUZEZAONW-CQSZACIVSA-N 1 2 373.369 0.721 10 5 FCBELO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600686224 491876025 /nfs/dbraw/zinc/87/60/25/491876025.db2.gz XFQHNKCMTDBSTG-OAHLLOKOSA-N 1 2 359.386 0.959 10 5 FCBELO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600686224 491876026 /nfs/dbraw/zinc/87/60/26/491876026.db2.gz XFQHNKCMTDBSTG-OAHLLOKOSA-N 1 2 359.386 0.959 10 5 FCBELO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1[N+](=O)[O-] ZINC000595787029 491953404 /nfs/dbraw/zinc/95/34/04/491953404.db2.gz FNOJLWUTJYLSOV-GLQYFDAESA-N 1 2 356.400 0.847 10 5 FCBELO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1[N+](=O)[O-] ZINC000595787029 491953406 /nfs/dbraw/zinc/95/34/06/491953406.db2.gz FNOJLWUTJYLSOV-GLQYFDAESA-N 1 2 356.400 0.847 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC000595800018 491954173 /nfs/dbraw/zinc/95/41/73/491954173.db2.gz PGVHHDAAVCMSOS-LLVKDONJSA-N 1 2 353.375 0.607 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC000595800018 491954176 /nfs/dbraw/zinc/95/41/76/491954176.db2.gz PGVHHDAAVCMSOS-LLVKDONJSA-N 1 2 353.375 0.607 10 5 FCBELO Nc1nc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596516564 491988282 /nfs/dbraw/zinc/98/82/82/491988282.db2.gz UTGQHIHPSHFJBM-QGZVFWFLSA-N 1 2 374.401 0.642 10 5 FCBELO Nc1nc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596516564 491988283 /nfs/dbraw/zinc/98/82/83/491988283.db2.gz UTGQHIHPSHFJBM-QGZVFWFLSA-N 1 2 374.401 0.642 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598614284 492108717 /nfs/dbraw/zinc/10/87/17/492108717.db2.gz CFTOKYSHQWEWKM-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598614284 492108719 /nfs/dbraw/zinc/10/87/19/492108719.db2.gz CFTOKYSHQWEWKM-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598614285 492108743 /nfs/dbraw/zinc/10/87/43/492108743.db2.gz CFTOKYSHQWEWKM-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598614285 492108744 /nfs/dbraw/zinc/10/87/44/492108744.db2.gz CFTOKYSHQWEWKM-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO CN(C)S(=O)(=O)N1CC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599086465 492134046 /nfs/dbraw/zinc/13/40/46/492134046.db2.gz NXZFFLMTEGNILY-HNNXBMFYSA-N 1 2 368.459 0.996 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599194377 492140862 /nfs/dbraw/zinc/14/08/62/492140862.db2.gz LENMGTVCINRYJQ-AWEZNQCLSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599194377 492140864 /nfs/dbraw/zinc/14/08/64/492140864.db2.gz LENMGTVCINRYJQ-AWEZNQCLSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599193328 492140929 /nfs/dbraw/zinc/14/09/29/492140929.db2.gz JRMDGZKVQXRKEQ-CYBMUJFWSA-N 1 2 352.395 0.468 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599193328 492140932 /nfs/dbraw/zinc/14/09/32/492140932.db2.gz JRMDGZKVQXRKEQ-CYBMUJFWSA-N 1 2 352.395 0.468 10 5 FCBELO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599292734 492155563 /nfs/dbraw/zinc/15/55/63/492155563.db2.gz LSYAMVIMJVQTEE-UHFFFAOYSA-N 1 2 361.424 0.060 10 5 FCBELO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599292734 492155566 /nfs/dbraw/zinc/15/55/66/492155566.db2.gz LSYAMVIMJVQTEE-UHFFFAOYSA-N 1 2 361.424 0.060 10 5 FCBELO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599348890 492163652 /nfs/dbraw/zinc/16/36/52/492163652.db2.gz RVHZAFZNCUYXAJ-NSHDSACASA-N 1 2 373.435 0.202 10 5 FCBELO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599348890 492163654 /nfs/dbraw/zinc/16/36/54/492163654.db2.gz RVHZAFZNCUYXAJ-NSHDSACASA-N 1 2 373.435 0.202 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000600232559 492252061 /nfs/dbraw/zinc/25/20/61/492252061.db2.gz RUFSCBYEKJXGOS-QGZVFWFLSA-N 1 2 364.402 0.523 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000600232559 492252063 /nfs/dbraw/zinc/25/20/63/492252063.db2.gz RUFSCBYEKJXGOS-QGZVFWFLSA-N 1 2 364.402 0.523 10 5 FCBELO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615254 492254525 /nfs/dbraw/zinc/25/45/25/492254525.db2.gz WNMCWTGSZBEUQR-UHFFFAOYSA-N 1 2 356.404 0.161 10 5 FCBELO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615254 492254526 /nfs/dbraw/zinc/25/45/26/492254526.db2.gz WNMCWTGSZBEUQR-UHFFFAOYSA-N 1 2 356.404 0.161 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000619498196 492266321 /nfs/dbraw/zinc/26/63/21/492266321.db2.gz JPVPFYXAXVKNSY-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000619498196 492266322 /nfs/dbraw/zinc/26/63/22/492266322.db2.gz JPVPFYXAXVKNSY-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000619871150 492280685 /nfs/dbraw/zinc/28/06/85/492280685.db2.gz ZCYSXIVOPCOLDF-CQSZACIVSA-N 1 2 351.403 0.943 10 5 FCBELO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276810 492283359 /nfs/dbraw/zinc/28/33/59/492283359.db2.gz OUCIXEOUZYYZTH-UHFFFAOYSA-N 1 2 371.415 0.833 10 5 FCBELO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276810 492283361 /nfs/dbraw/zinc/28/33/61/492283361.db2.gz OUCIXEOUZYYZTH-UHFFFAOYSA-N 1 2 371.415 0.833 10 5 FCBELO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000593526392 546970498 /nfs/dbraw/zinc/97/04/98/546970498.db2.gz GOLFVQLJDBIJKY-VXGBXAGGSA-N 1 2 358.420 0.767 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000593566666 546977226 /nfs/dbraw/zinc/97/72/26/546977226.db2.gz NWEIXHSSAIRBDN-KBPBESRZSA-N 1 2 370.431 0.912 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000594773895 547007993 /nfs/dbraw/zinc/00/79/93/547007993.db2.gz VIKJAWRWROYZMO-NSHDSACASA-N 1 2 372.403 0.248 10 5 FCBELO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000594773895 547007995 /nfs/dbraw/zinc/00/79/95/547007995.db2.gz VIKJAWRWROYZMO-NSHDSACASA-N 1 2 372.403 0.248 10 5 FCBELO CNc1nccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594401853 547361331 /nfs/dbraw/zinc/36/13/31/547361331.db2.gz JNOBZXRMRNIIHF-SDDRHHMPSA-N 1 2 351.407 1.259 10 5 FCBELO CNc1nccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594401853 547361334 /nfs/dbraw/zinc/36/13/34/547361334.db2.gz JNOBZXRMRNIIHF-SDDRHHMPSA-N 1 2 351.407 1.259 10 5 FCBELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917042769 667045275 /nfs/dbraw/zinc/04/52/75/667045275.db2.gz CJKCUTACJHQSSD-CYBMUJFWSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917042769 667045279 /nfs/dbraw/zinc/04/52/79/667045279.db2.gz CJKCUTACJHQSSD-CYBMUJFWSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917046018 667045955 /nfs/dbraw/zinc/04/59/55/667045955.db2.gz SIDJPFWMLLHDSQ-CYBMUJFWSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917046018 667045960 /nfs/dbraw/zinc/04/59/60/667045960.db2.gz SIDJPFWMLLHDSQ-CYBMUJFWSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(F)cc1[N+](=O)[O-] ZINC000917061337 667049925 /nfs/dbraw/zinc/04/99/25/667049925.db2.gz GTXLHZUHYNDABF-GFCCVEGCSA-N 1 2 372.422 0.711 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(F)cc1[N+](=O)[O-] ZINC000917061337 667049928 /nfs/dbraw/zinc/04/99/28/667049928.db2.gz GTXLHZUHYNDABF-GFCCVEGCSA-N 1 2 372.422 0.711 10 5 FCBELO CN(CC[NH2+]Cc1nnc(Cc2ccccc2)o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371825 1180051360 /nfs/dbraw/zinc/05/13/60/1180051360.db2.gz WPNWQQUHBSMGLJ-ZIAGYGMSSA-N 1 2 359.386 0.874 10 5 FCBELO CCN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccccc1 ZINC001481624051 1186597898 /nfs/dbraw/zinc/59/78/98/1186597898.db2.gz KSUNBXKEWDXPPB-HZPDHXFCSA-N 1 2 360.414 0.753 10 5 FCBELO COc1ccccc1NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268236989 1186644810 /nfs/dbraw/zinc/64/48/10/1186644810.db2.gz BDVIHIRJZRPPHM-TZMCWYRMSA-N 1 2 364.402 0.689 10 5 FCBELO COc1ccccc1NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268236989 1186644812 /nfs/dbraw/zinc/64/48/12/1186644812.db2.gz BDVIHIRJZRPPHM-TZMCWYRMSA-N 1 2 364.402 0.689 10 5 FCBELO C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1CO ZINC000913554505 1196607510 /nfs/dbraw/zinc/60/75/10/1196607510.db2.gz FZSQDLWSKMMVNS-OAHLLOKOSA-N 1 2 362.430 0.946 10 5 FCBELO C[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1CO ZINC000913554505 1196607517 /nfs/dbraw/zinc/60/75/17/1196607517.db2.gz FZSQDLWSKMMVNS-OAHLLOKOSA-N 1 2 362.430 0.946 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@H]1CO ZINC000913556470 1196844516 /nfs/dbraw/zinc/84/45/16/1196844516.db2.gz BIXFVCPYKMHBQU-AWEZNQCLSA-N 1 2 364.402 0.180 10 5 FCBELO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@H]1CO ZINC000913556470 1196844517 /nfs/dbraw/zinc/84/45/17/1196844517.db2.gz BIXFVCPYKMHBQU-AWEZNQCLSA-N 1 2 364.402 0.180 10 5 FCBELO COc1ccc(OCC[NH+]2CCN(c3nncn3C)CC2)c([N+](=O)[O-])c1 ZINC000594022688 1196847689 /nfs/dbraw/zinc/84/76/89/1196847689.db2.gz MNITWNYYLUDICB-UHFFFAOYSA-N 1 2 362.390 0.933 10 5 FCBELO CC(=O)NC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC001147372778 1204776827 /nfs/dbraw/zinc/77/68/27/1204776827.db2.gz MRZCRFMCJGYUQX-AWEZNQCLSA-N 1 2 373.369 0.758 10 5 FCBELO CC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC001147372779 1204777962 /nfs/dbraw/zinc/77/79/62/1204777962.db2.gz MRZCRFMCJGYUQX-CQSZACIVSA-N 1 2 373.369 0.758 10 5 FCBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000857889199 1209766795 /nfs/dbraw/zinc/76/67/95/1209766795.db2.gz CMQMMNCCWZFWAO-LBPRGKRZSA-N 1 2 357.370 0.983 10 5 FCBELO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857988640 1209773013 /nfs/dbraw/zinc/77/30/13/1209773013.db2.gz HRDFAXAATIXCSV-ZDUSSCGKSA-N 1 2 358.358 0.852 10 5 FCBELO CN1CC[N@H+](C)[C@@H](CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863504524 1209943941 /nfs/dbraw/zinc/94/39/41/1209943941.db2.gz QOOQSOCYUCFXRP-RHSMWYFYSA-N 1 2 361.402 0.608 10 5 FCBELO CN1CC[N@@H+](C)[C@@H](CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863504524 1209943944 /nfs/dbraw/zinc/94/39/44/1209943944.db2.gz QOOQSOCYUCFXRP-RHSMWYFYSA-N 1 2 361.402 0.608 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1CCO ZINC000829046654 1222426039 /nfs/dbraw/zinc/42/60/39/1222426039.db2.gz ILLOFWWCUCZCGE-LLVKDONJSA-N 1 2 354.382 0.939 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1CCO ZINC000829046654 1222426044 /nfs/dbraw/zinc/42/60/44/1222426044.db2.gz ILLOFWWCUCZCGE-LLVKDONJSA-N 1 2 354.382 0.939 10 5 FCBELO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001137737203 1259378248 /nfs/dbraw/zinc/37/82/48/1259378248.db2.gz MYYRLQJJINKDRM-CQSZACIVSA-N 1 2 363.370 0.870 10 5 FCBELO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC001473752830 1261495962 /nfs/dbraw/zinc/49/59/62/1261495962.db2.gz UKHIOEOAEDZYRG-BXUZGUMPSA-N 1 2 353.375 0.978 10 5 FCBELO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC001473752830 1261495964 /nfs/dbraw/zinc/49/59/64/1261495964.db2.gz UKHIOEOAEDZYRG-BXUZGUMPSA-N 1 2 353.375 0.978 10 5 FCBELO Cc1coc(C(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001493131849 1263701983 /nfs/dbraw/zinc/70/19/83/1263701983.db2.gz MCKBRZWUGKXNPN-ZIAGYGMSSA-N 1 2 364.402 0.517 10 5 FCBELO Cc1cc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 ZINC001494094345 1263753411 /nfs/dbraw/zinc/75/34/11/1263753411.db2.gz AXRHOFZQXIZZAL-HZPDHXFCSA-N 1 2 362.434 0.026 10 5 FCBELO C/C(=C\C(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001497847825 1263954595 /nfs/dbraw/zinc/95/45/95/1263954595.db2.gz PDJSVLQRSKPANJ-SXRGSSEVSA-N 1 2 364.446 0.611 10 5 FCBELO C/C(=C/C(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001497847826 1263955527 /nfs/dbraw/zinc/95/55/27/1263955527.db2.gz PDJSVLQRSKPANJ-VEJWNLPXSA-N 1 2 364.446 0.611 10 5 FCBELO CNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC001537786982 1267381672 /nfs/dbraw/zinc/38/16/72/1267381672.db2.gz DSDHWOYXOVDMKY-UHFFFAOYSA-N 1 2 373.369 0.806 10 5 FCBELO Cc1nc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001566640144 1269653000 /nfs/dbraw/zinc/65/30/00/1269653000.db2.gz UWXVIAKDDQJDJM-HUUCEWRRSA-N 1 2 351.407 0.272 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001572511728 1270085721 /nfs/dbraw/zinc/08/57/21/1270085721.db2.gz CXXBHBUIKPMJSE-TZMCWYRMSA-N 1 2 351.407 0.621 10 5 FCBELO O=C(NCCN1CC[NH+](CCOc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713074250 1287264208 /nfs/dbraw/zinc/26/42/08/1287264208.db2.gz OTIXGXXDKHAZTJ-IAGOWNOFSA-N 1 2 362.430 0.464 10 5 FCBELO Cc1oncc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713797642 1287298036 /nfs/dbraw/zinc/29/80/36/1287298036.db2.gz FJKDSKXMYWYCKQ-HUUCEWRRSA-N 1 2 351.407 0.272 10 5 FCBELO Cc1nc(CC[NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001713806136 1287299596 /nfs/dbraw/zinc/29/95/96/1287299596.db2.gz ZHYARNNUJGIZRK-HUUCEWRRSA-N 1 2 367.475 0.393 10 5 FCBELO O=C(NC/C=C/C[NH2+]Cc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716292260 1287375020 /nfs/dbraw/zinc/37/50/20/1287375020.db2.gz GOXYNRBVCOZSDM-FZZYSBJUSA-N 1 2 356.386 0.695 10 5 FCBELO CC(C)n1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001716904186 1287392837 /nfs/dbraw/zinc/39/28/37/1287392837.db2.gz GMJPFHKBJQXQLT-CHWSQXEVSA-N 1 2 366.422 0.279 10 5 FCBELO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCn2cncn2)CC1 ZINC001634355627 1282323688 /nfs/dbraw/zinc/32/36/88/1282323688.db2.gz JRLWTTZCWQHKEI-OAHLLOKOSA-N 1 2 360.374 0.064 10 5 FCBELO COc1cc(OCC(=O)N[C@H](CO)c2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC001641452032 1282949905 /nfs/dbraw/zinc/94/99/05/1282949905.db2.gz AOQMFCTYHLGSJM-LLVKDONJSA-N 1 2 350.331 0.566 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001681850961 1283512093 /nfs/dbraw/zinc/51/20/93/1283512093.db2.gz SWBXAPFBQLVIFF-UKRRQHHQSA-N 1 2 361.402 0.591 10 5 FCBELO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001732125441 1288575295 /nfs/dbraw/zinc/57/52/95/1288575295.db2.gz GJYIYQAHRVWKAH-HUUCEWRRSA-N 1 2 364.377 0.155 10 5 FCBELO O=C(Cn1c[nH+]c2c1CCCC2)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001738504044 1289693166 /nfs/dbraw/zinc/69/31/66/1289693166.db2.gz JSKICTADYXTRCR-RRSPZVPKSA-N 1 2 361.402 0.216 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001623682561 1290231930 /nfs/dbraw/zinc/23/19/30/1290231930.db2.gz PFYCZQMRSSDHKU-ZDUSSCGKSA-N 1 2 365.390 0.386 10 5 FCBELO COc1ccc(C(=O)NCC(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1[N+](=O)[O-] ZINC001629648687 1290616868 /nfs/dbraw/zinc/61/68/68/1290616868.db2.gz BKYMDBBJIVKFNT-UHFFFAOYSA-N 1 2 361.358 0.990 10 5 FCBELO O=C(NCCn1cnccc1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001630765448 1290698261 /nfs/dbraw/zinc/69/82/61/1290698261.db2.gz IEZSUDDJTZMMGP-UHFFFAOYSA-N 1 2 354.326 0.767 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001654632919 1291422722 /nfs/dbraw/zinc/42/27/22/1291422722.db2.gz DZBZNKABXFNWGT-ZJUUUORDSA-N 1 2 361.362 0.933 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001654632919 1291422731 /nfs/dbraw/zinc/42/27/31/1291422731.db2.gz DZBZNKABXFNWGT-ZJUUUORDSA-N 1 2 361.362 0.933 10 5 FCBELO COc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001167470520 850545248 /nfs/dbraw/zinc/54/52/48/850545248.db2.gz UBLOYWKCAWBONH-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO COc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001167470520 850545255 /nfs/dbraw/zinc/54/52/55/850545255.db2.gz UBLOYWKCAWBONH-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001264359554 859351256 /nfs/dbraw/zinc/35/12/56/859351256.db2.gz NUZWSOBOQCJPSK-NSHDSACASA-N 1 2 350.356 0.697 10 5 FCBELO CCC(CC)NC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265192328 859454753 /nfs/dbraw/zinc/45/47/53/859454753.db2.gz XOKNMQXPUBHWFC-HUUCEWRRSA-N 1 2 354.451 0.879 10 5 FCBELO Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)s1 ZINC001271038321 859886270 /nfs/dbraw/zinc/88/62/70/859886270.db2.gz KGUJCDKHXCLUOW-GHMZBOCLSA-N 1 2 355.420 0.267 10 5 FCBELO COc1c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC001301182570 866253553 /nfs/dbraw/zinc/25/35/53/866253553.db2.gz XJBNRFYZGSNWBC-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO COc1c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC001301182570 866253574 /nfs/dbraw/zinc/25/35/74/866253574.db2.gz XJBNRFYZGSNWBC-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285177635 213297978 /nfs/dbraw/zinc/29/79/78/213297978.db2.gz VKWMFSAZQJGTED-CLAHSXSESA-N 1 2 356.766 0.497 10 5 FCBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285177635 213297981 /nfs/dbraw/zinc/29/79/81/213297981.db2.gz VKWMFSAZQJGTED-CLAHSXSESA-N 1 2 356.766 0.497 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000367896566 216175831 /nfs/dbraw/zinc/17/58/31/216175831.db2.gz BHMFBQQJQSBKGF-SNVBAGLBSA-N 1 2 351.331 0.831 10 5 FCBELO CCOc1ccc(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000368829670 216302764 /nfs/dbraw/zinc/30/27/64/216302764.db2.gz LWUCSNMXNBQSRY-UHFFFAOYSA-N 1 2 364.402 0.887 10 5 FCBELO CCOc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)cc1[N+](=O)[O-] ZINC000368829670 216302768 /nfs/dbraw/zinc/30/27/68/216302768.db2.gz LWUCSNMXNBQSRY-UHFFFAOYSA-N 1 2 364.402 0.887 10 5 FCBELO O=C(C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1 ZINC000276320478 212211854 /nfs/dbraw/zinc/21/18/54/212211854.db2.gz OOWFWFKUQSABAT-UHFFFAOYSA-N 1 2 366.393 0.710 10 5 FCBELO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185015053 488399112 /nfs/dbraw/zinc/39/91/12/488399112.db2.gz GIZDLLSVKGTIPA-YPMHNXCESA-N 1 2 355.366 0.647 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123328049 488584811 /nfs/dbraw/zinc/58/48/11/488584811.db2.gz DUFWJIOHTOEQIE-LLVKDONJSA-N 1 2 361.395 0.811 10 5 FCBELO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000123640145 488587012 /nfs/dbraw/zinc/58/70/12/488587012.db2.gz CTISROBFPVYOPK-OAHLLOKOSA-N 1 2 355.416 0.877 10 5 FCBELO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000123640145 488587015 /nfs/dbraw/zinc/58/70/15/488587015.db2.gz CTISROBFPVYOPK-OAHLLOKOSA-N 1 2 355.416 0.877 10 5 FCBELO COc1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000159810868 488788098 /nfs/dbraw/zinc/78/80/98/488788098.db2.gz ZQNNTMGQHQOERI-UHFFFAOYSA-N 1 2 360.374 0.377 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000163064440 488806309 /nfs/dbraw/zinc/80/63/09/488806309.db2.gz ZNSDIQWJXFKIAU-OAHLLOKOSA-N 1 2 369.443 0.920 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000163064440 488806311 /nfs/dbraw/zinc/80/63/11/488806311.db2.gz ZNSDIQWJXFKIAU-OAHLLOKOSA-N 1 2 369.443 0.920 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000163925978 488809521 /nfs/dbraw/zinc/80/95/21/488809521.db2.gz KGKYWEBGPGIFGS-OAHLLOKOSA-N 1 2 371.459 0.856 10 5 FCBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2ccc([N+](=O)[O-])n2)nc[nH+]1 ZINC000173410658 488842541 /nfs/dbraw/zinc/84/25/41/488842541.db2.gz FHHXMNSYABWXDS-LLVKDONJSA-N 1 2 360.378 0.408 10 5 FCBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2ccc([N+](=O)[O-])n2)[nH+]cn1 ZINC000173410658 488842542 /nfs/dbraw/zinc/84/25/42/488842542.db2.gz FHHXMNSYABWXDS-LLVKDONJSA-N 1 2 360.378 0.408 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000452102836 489545796 /nfs/dbraw/zinc/54/57/96/489545796.db2.gz JDPZSNPIPQCKJH-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000452102836 489545799 /nfs/dbraw/zinc/54/57/99/489545799.db2.gz JDPZSNPIPQCKJH-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452103999 489546630 /nfs/dbraw/zinc/54/66/30/489546630.db2.gz LLOVNRMTKHKACR-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452103999 489546631 /nfs/dbraw/zinc/54/66/31/489546631.db2.gz LLOVNRMTKHKACR-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452111014 489547973 /nfs/dbraw/zinc/54/79/73/489547973.db2.gz SLSISOCJRGGBPZ-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452111014 489547975 /nfs/dbraw/zinc/54/79/75/489547975.db2.gz SLSISOCJRGGBPZ-JTQLQIEISA-N 1 2 363.823 0.935 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(C)cc1[N+](=O)[O-] ZINC000416472110 489597213 /nfs/dbraw/zinc/59/72/13/489597213.db2.gz MGTHTTFBXSGWPQ-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427408770 489606536 /nfs/dbraw/zinc/60/65/36/489606536.db2.gz WOEVFVHNYMVOAD-GFCCVEGCSA-N 1 2 350.375 0.367 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427408770 489606537 /nfs/dbraw/zinc/60/65/37/489606537.db2.gz WOEVFVHNYMVOAD-GFCCVEGCSA-N 1 2 350.375 0.367 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416657246 489622156 /nfs/dbraw/zinc/62/21/56/489622156.db2.gz FCYBPUQOBKXJFQ-CHWSQXEVSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416657246 489622159 /nfs/dbraw/zinc/62/21/59/489622159.db2.gz FCYBPUQOBKXJFQ-CHWSQXEVSA-N 1 2 357.432 0.812 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416661367 489623473 /nfs/dbraw/zinc/62/34/73/489623473.db2.gz JKNYWAGEEJZACY-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416661367 489623476 /nfs/dbraw/zinc/62/34/76/489623476.db2.gz JKNYWAGEEJZACY-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416669671 489625236 /nfs/dbraw/zinc/62/52/36/489625236.db2.gz SBYVMMKBWAPDGZ-QWHCGFSZSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416669671 489625238 /nfs/dbraw/zinc/62/52/38/489625238.db2.gz SBYVMMKBWAPDGZ-QWHCGFSZSA-N 1 2 357.432 0.812 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000534232131 490335149 /nfs/dbraw/zinc/33/51/49/490335149.db2.gz VASWNUVLQKSIBQ-NXEZZACHSA-N 1 2 351.363 0.673 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000534232131 490335155 /nfs/dbraw/zinc/33/51/55/490335155.db2.gz VASWNUVLQKSIBQ-NXEZZACHSA-N 1 2 351.363 0.673 10 5 FCBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484567750 490441873 /nfs/dbraw/zinc/44/18/73/490441873.db2.gz ONQSAOKQVJLRHT-RDJZCZTQSA-N 1 2 362.386 0.932 10 5 FCBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484567750 490441883 /nfs/dbraw/zinc/44/18/83/490441883.db2.gz ONQSAOKQVJLRHT-RDJZCZTQSA-N 1 2 362.386 0.932 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000411372520 490442254 /nfs/dbraw/zinc/44/22/54/490442254.db2.gz DIVNCEQXMYQCEB-ZDUSSCGKSA-N 1 2 364.402 0.675 10 5 FCBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000411372520 490442263 /nfs/dbraw/zinc/44/22/63/490442263.db2.gz DIVNCEQXMYQCEB-ZDUSSCGKSA-N 1 2 364.402 0.675 10 5 FCBELO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000510662252 490533107 /nfs/dbraw/zinc/53/31/07/490533107.db2.gz XSJJUMODZUTEIS-ZDUSSCGKSA-N 1 2 368.415 0.237 10 5 FCBELO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000510662252 490533111 /nfs/dbraw/zinc/53/31/11/490533111.db2.gz XSJJUMODZUTEIS-ZDUSSCGKSA-N 1 2 368.415 0.237 10 5 FCBELO Cn1cc[nH+]c1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000485571333 490545062 /nfs/dbraw/zinc/54/50/62/490545062.db2.gz SMZLENUXQOISJF-UHFFFAOYSA-N 1 2 367.387 0.313 10 5 FCBELO C[C@@H]1CN(c2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000502023435 490668955 /nfs/dbraw/zinc/66/89/55/490668955.db2.gz LUYCGXQUOSTORI-LLVKDONJSA-N 1 2 360.374 0.878 10 5 FCBELO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505601036 490834463 /nfs/dbraw/zinc/83/44/63/490834463.db2.gz BNLAWTPMDQFLAY-ZDUSSCGKSA-N 1 2 351.407 0.653 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(C(C)=O)CC2)c1 ZINC000541116111 490850933 /nfs/dbraw/zinc/85/09/33/490850933.db2.gz GGIZAJJBHBRZIZ-UHFFFAOYSA-N 1 2 350.375 0.957 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1=O ZINC000542119639 490886026 /nfs/dbraw/zinc/88/60/26/490886026.db2.gz HORXLGHNXRBFHS-NSHDSACASA-N 1 2 370.373 0.974 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1=O ZINC000542172628 490888015 /nfs/dbraw/zinc/88/80/15/490888015.db2.gz FOHMDPMMLJCCLC-LBPRGKRZSA-N 1 2 372.385 0.832 10 5 FCBELO CS(=O)(=O)c1ccc(NCCNC(=O)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000558642805 491439535 /nfs/dbraw/zinc/43/95/35/491439535.db2.gz LZCMPHUQDGLROT-UHFFFAOYSA-N 1 2 367.387 0.423 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000589502261 491763027 /nfs/dbraw/zinc/76/30/27/491763027.db2.gz SFJZSQVEUODZLB-HNNXBMFYSA-N 1 2 367.402 0.506 10 5 FCBELO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680436 491875014 /nfs/dbraw/zinc/87/50/14/491875014.db2.gz FFLQUEJIUAWQLR-AWEZNQCLSA-N 1 2 360.374 0.204 10 5 FCBELO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680436 491875017 /nfs/dbraw/zinc/87/50/17/491875017.db2.gz FFLQUEJIUAWQLR-AWEZNQCLSA-N 1 2 360.374 0.204 10 5 FCBELO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680444 491875054 /nfs/dbraw/zinc/87/50/54/491875054.db2.gz FFLQUEJIUAWQLR-CQSZACIVSA-N 1 2 360.374 0.204 10 5 FCBELO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680444 491875057 /nfs/dbraw/zinc/87/50/57/491875057.db2.gz FFLQUEJIUAWQLR-CQSZACIVSA-N 1 2 360.374 0.204 10 5 FCBELO Nc1nccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600681535 491875455 /nfs/dbraw/zinc/87/54/55/491875455.db2.gz JOTFDTWCXQYTRJ-ZDUSSCGKSA-N 1 2 372.385 0.598 10 5 FCBELO Nc1nccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600681535 491875457 /nfs/dbraw/zinc/87/54/57/491875457.db2.gz JOTFDTWCXQYTRJ-ZDUSSCGKSA-N 1 2 372.385 0.598 10 5 FCBELO Cc1n[nH]c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600682862 491875524 /nfs/dbraw/zinc/87/55/24/491875524.db2.gz OFGDOYQTSUFDPO-ZDUSSCGKSA-N 1 2 360.374 0.652 10 5 FCBELO Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600682862 491875527 /nfs/dbraw/zinc/87/55/27/491875527.db2.gz OFGDOYQTSUFDPO-ZDUSSCGKSA-N 1 2 360.374 0.652 10 5 FCBELO CO[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595657357 491946383 /nfs/dbraw/zinc/94/63/83/491946383.db2.gz AVICFKCFCYYMKB-OAHLLOKOSA-N 1 2 358.416 0.842 10 5 FCBELO CO[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595657357 491946385 /nfs/dbraw/zinc/94/63/85/491946385.db2.gz AVICFKCFCYYMKB-OAHLLOKOSA-N 1 2 358.416 0.842 10 5 FCBELO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595804852 491954815 /nfs/dbraw/zinc/95/48/15/491954815.db2.gz IEZOGABRWWZVRW-GUYCJALGSA-N 1 2 368.386 0.989 10 5 FCBELO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595804852 491954817 /nfs/dbraw/zinc/95/48/17/491954817.db2.gz IEZOGABRWWZVRW-GUYCJALGSA-N 1 2 368.386 0.989 10 5 FCBELO O=C(NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596482040 491987403 /nfs/dbraw/zinc/98/74/03/491987403.db2.gz DIRYCKGBLKMJAB-SFHVURJKSA-N 1 2 374.397 0.916 10 5 FCBELO O=C(NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596482040 491987405 /nfs/dbraw/zinc/98/74/05/491987405.db2.gz DIRYCKGBLKMJAB-SFHVURJKSA-N 1 2 374.397 0.916 10 5 FCBELO CNC(=O)NC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000599539916 492185118 /nfs/dbraw/zinc/18/51/18/492185118.db2.gz RQPDPDWSTYURQR-CYBMUJFWSA-N 1 2 368.390 0.612 10 5 FCBELO CNC(=O)NC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000599539916 492185120 /nfs/dbraw/zinc/18/51/20/492185120.db2.gz RQPDPDWSTYURQR-CYBMUJFWSA-N 1 2 368.390 0.612 10 5 FCBELO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599694426 492200195 /nfs/dbraw/zinc/20/01/95/492200195.db2.gz TYLOZVKAJYJEBV-GFCCVEGCSA-N 1 2 370.431 0.795 10 5 FCBELO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599694426 492200198 /nfs/dbraw/zinc/20/01/98/492200198.db2.gz TYLOZVKAJYJEBV-GFCCVEGCSA-N 1 2 370.431 0.795 10 5 FCBELO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000609579009 492214831 /nfs/dbraw/zinc/21/48/31/492214831.db2.gz UMTKQTPGBPODNO-UHFFFAOYSA-N 1 2 363.418 0.607 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600230680 492251019 /nfs/dbraw/zinc/25/10/19/492251019.db2.gz BHURQDUNOQBMRG-SFHVURJKSA-N 1 2 363.414 0.869 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600230680 492251022 /nfs/dbraw/zinc/25/10/22/492251022.db2.gz BHURQDUNOQBMRG-SFHVURJKSA-N 1 2 363.414 0.869 10 5 FCBELO Cn1c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600230676 492251129 /nfs/dbraw/zinc/25/11/29/492251129.db2.gz BHISDHXVNBQRSD-INIZCTEOSA-N 1 2 352.391 0.279 10 5 FCBELO Cn1c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600230676 492251131 /nfs/dbraw/zinc/25/11/31/492251131.db2.gz BHISDHXVNBQRSD-INIZCTEOSA-N 1 2 352.391 0.279 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600232157 492251898 /nfs/dbraw/zinc/25/18/98/492251898.db2.gz NZSFOBAIIJBQCK-MRXNPFEDSA-N 1 2 366.374 0.041 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600232157 492251900 /nfs/dbraw/zinc/25/19/00/492251900.db2.gz NZSFOBAIIJBQCK-MRXNPFEDSA-N 1 2 366.374 0.041 10 5 FCBELO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422610 492268341 /nfs/dbraw/zinc/26/83/41/492268341.db2.gz WEHCTMFCWCFLAZ-NWDGAFQWSA-N 1 2 354.411 0.274 10 5 FCBELO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422610 492268343 /nfs/dbraw/zinc/26/83/43/492268343.db2.gz WEHCTMFCWCFLAZ-NWDGAFQWSA-N 1 2 354.411 0.274 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600419235 492268503 /nfs/dbraw/zinc/26/85/03/492268503.db2.gz GDEYZUMRIMVWIG-LBPRGKRZSA-N 1 2 360.370 0.969 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600419235 492268505 /nfs/dbraw/zinc/26/85/05/492268505.db2.gz GDEYZUMRIMVWIG-LBPRGKRZSA-N 1 2 360.370 0.969 10 5 FCBELO Cc1cc(C(=O)NCC(=O)NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600425944 492269200 /nfs/dbraw/zinc/26/92/00/492269200.db2.gz QMAULPTVFWFGNH-CYBMUJFWSA-N 1 2 350.375 0.080 10 5 FCBELO Cc1cc(C(=O)NCC(=O)NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600425944 492269201 /nfs/dbraw/zinc/26/92/01/492269201.db2.gz QMAULPTVFWFGNH-CYBMUJFWSA-N 1 2 350.375 0.080 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000611571703 492290505 /nfs/dbraw/zinc/29/05/05/492290505.db2.gz BHUIPMNMVVEJIB-UHFFFAOYSA-N 1 2 364.406 0.099 10 5 FCBELO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000611571703 492290506 /nfs/dbraw/zinc/29/05/06/492290506.db2.gz BHUIPMNMVVEJIB-UHFFFAOYSA-N 1 2 364.406 0.099 10 5 FCBELO COC(=O)c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000416356186 546911141 /nfs/dbraw/zinc/91/11/41/546911141.db2.gz ATJRKNAQRKVZNT-UHFFFAOYSA-N 1 2 368.371 0.947 10 5 FCBELO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593556556 546975295 /nfs/dbraw/zinc/97/52/95/546975295.db2.gz KMOKZEOQUPTOHO-LLVKDONJSA-N 1 2 372.403 0.248 10 5 FCBELO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000594794507 547011238 /nfs/dbraw/zinc/01/12/38/547011238.db2.gz MSKLLWIXMCTBTG-LBPRGKRZSA-N 1 2 370.431 0.864 10 5 FCBELO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000594794507 547011245 /nfs/dbraw/zinc/01/12/45/547011245.db2.gz MSKLLWIXMCTBTG-LBPRGKRZSA-N 1 2 370.431 0.864 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000594788297 547011731 /nfs/dbraw/zinc/01/17/31/547011731.db2.gz KQLZFVHKNFGBCF-ZDUSSCGKSA-N 1 2 370.431 0.865 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917051500 667047860 /nfs/dbraw/zinc/04/78/60/667047860.db2.gz WODGDXPHCCMLOX-OAHLLOKOSA-N 1 2 368.459 0.825 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917051500 667047865 /nfs/dbraw/zinc/04/78/65/667047865.db2.gz WODGDXPHCCMLOX-OAHLLOKOSA-N 1 2 368.459 0.825 10 5 FCBELO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000919982100 667213951 /nfs/dbraw/zinc/21/39/51/667213951.db2.gz RCZBSBLUXVTYTI-GHMZBOCLSA-N 1 2 362.477 0.877 10 5 FCBELO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000919982100 667213955 /nfs/dbraw/zinc/21/39/55/667213955.db2.gz RCZBSBLUXVTYTI-GHMZBOCLSA-N 1 2 362.477 0.877 10 5 FCBELO CNS(=O)(=O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677444 668725389 /nfs/dbraw/zinc/72/53/89/668725389.db2.gz MMMBAOPJLBYPRU-UHFFFAOYSA-N 1 2 368.371 0.877 10 5 FCBELO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837192559 670086142 /nfs/dbraw/zinc/08/61/42/670086142.db2.gz VIRACWKPOXXBAL-SECBINFHSA-N 1 2 351.388 0.738 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837192559 670086148 /nfs/dbraw/zinc/08/61/48/670086148.db2.gz VIRACWKPOXXBAL-SECBINFHSA-N 1 2 351.388 0.738 10 5 FCBELO O=C(NCC1([NH2+]Cc2nc(C3CC3)no2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001271038706 1189523121 /nfs/dbraw/zinc/52/31/21/1189523121.db2.gz RMEOZMDCZFZPSF-VXGBXAGGSA-N 1 2 365.390 0.367 10 5 FCBELO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001168351053 1193806777 /nfs/dbraw/zinc/80/67/77/1193806777.db2.gz ZVUZGZBJTWQXSN-LBPRGKRZSA-N 1 2 365.321 0.889 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001179024635 1206369662 /nfs/dbraw/zinc/36/96/62/1206369662.db2.gz GXEULVMCUWGKPU-GFCCVEGCSA-N 1 2 362.342 0.987 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001179024635 1206369664 /nfs/dbraw/zinc/36/96/64/1206369664.db2.gz GXEULVMCUWGKPU-GFCCVEGCSA-N 1 2 362.342 0.987 10 5 FCBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(COCCO)CC1 ZINC001197920251 1208205662 /nfs/dbraw/zinc/20/56/62/1208205662.db2.gz AKOMHUWKQKWAHX-ZDUSSCGKSA-N 1 2 367.402 0.758 10 5 FCBELO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888905 1209767173 /nfs/dbraw/zinc/76/71/73/1209767173.db2.gz GEJVXWWHLYJFCA-LLVKDONJSA-N 1 2 360.326 0.732 10 5 FCBELO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000863339064 1209940243 /nfs/dbraw/zinc/94/02/43/1209940243.db2.gz ZPAUQLLEMBATNV-OMXAPOSASA-N 1 2 374.353 0.424 10 5 FCBELO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000863339064 1209940246 /nfs/dbraw/zinc/94/02/46/1209940246.db2.gz ZPAUQLLEMBATNV-OMXAPOSASA-N 1 2 374.353 0.424 10 5 FCBELO Cn1c[nH+]c(CCNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c1 ZINC001275173317 1211188789 /nfs/dbraw/zinc/18/87/89/1211188789.db2.gz GAZUXSLPWYPPJC-UHFFFAOYSA-N 1 2 371.353 0.954 10 5 FCBELO Cn1c[nH+]c(CCNC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001261415400 1260136708 /nfs/dbraw/zinc/13/67/08/1260136708.db2.gz XIZCFVBBYMPRGV-UHFFFAOYSA-N 1 2 357.370 0.572 10 5 FCBELO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001284704401 1261778628 /nfs/dbraw/zinc/77/86/28/1261778628.db2.gz AMNOOYUVUODSRQ-ZIAGYGMSSA-N 1 2 365.434 0.947 10 5 FCBELO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001301547870 1263010506 /nfs/dbraw/zinc/01/05/06/1263010506.db2.gz MXRLRQHMKKXWDD-NSHDSACASA-N 1 2 362.342 0.953 10 5 FCBELO Cc1nc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001316958460 1263493123 /nfs/dbraw/zinc/49/31/23/1263493123.db2.gz WXHRWQIUADTDGS-HUUCEWRRSA-N 1 2 365.434 0.581 10 5 FCBELO CCn1ncnc1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495517436 1263823369 /nfs/dbraw/zinc/82/33/69/1263823369.db2.gz LUFYBMQJRRHLRO-ZIAGYGMSSA-N 1 2 350.423 0.682 10 5 FCBELO CCc1nc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001505375843 1264270450 /nfs/dbraw/zinc/27/04/50/1264270450.db2.gz HZZILYJSOJFFAP-CHWSQXEVSA-N 1 2 368.459 0.814 10 5 FCBELO O=C(CCn1cc[nH+]c1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001334767186 1267168031 /nfs/dbraw/zinc/16/80/31/1267168031.db2.gz OZCPMSVMGHAPMG-ZIAGYGMSSA-N 1 2 363.418 0.874 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(=O)NCC12COC2 ZINC001537421647 1267371243 /nfs/dbraw/zinc/37/12/43/1267371243.db2.gz PTTCSJPJTFZKSR-UHFFFAOYSA-N 1 2 357.326 0.122 10 5 FCBELO CC(C)N(CCN(C)C(=O)Cc1c[nH+]cn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001338731644 1268065916 /nfs/dbraw/zinc/06/59/16/1268065916.db2.gz WDARCNRLCGCKRK-ZIAGYGMSSA-N 1 2 351.407 0.323 10 5 FCBELO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001560088703 1269186907 /nfs/dbraw/zinc/18/69/07/1269186907.db2.gz PUGBNMNKVAQHMA-CMPLNLGQSA-N 1 2 365.312 0.295 10 5 FCBELO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001560088703 1269186912 /nfs/dbraw/zinc/18/69/12/1269186912.db2.gz PUGBNMNKVAQHMA-CMPLNLGQSA-N 1 2 365.312 0.295 10 5 FCBELO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001344658721 1270220252 /nfs/dbraw/zinc/22/02/52/1270220252.db2.gz URIGEAMITHTERE-UHFFFAOYSA-N 1 2 360.414 0.902 10 5 FCBELO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714532494 1287323879 /nfs/dbraw/zinc/32/38/79/1287323879.db2.gz AESQCJUUNOTQRT-GHMZBOCLSA-N 1 2 368.356 0.499 10 5 FCBELO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714532494 1287323888 /nfs/dbraw/zinc/32/38/88/1287323888.db2.gz AESQCJUUNOTQRT-GHMZBOCLSA-N 1 2 368.356 0.499 10 5 FCBELO CN(CC[NH2+]Cc1nnc(C(F)(F)F)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714704236 1287331100 /nfs/dbraw/zinc/33/11/00/1287331100.db2.gz PYJLAXRGQJAMSD-RNFRBKRXSA-N 1 2 353.326 0.770 10 5 FCBELO O=C(NCC1([NH2+]Cc2nc3ccsc3c(=O)[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716681874 1287385642 /nfs/dbraw/zinc/38/56/42/1287385642.db2.gz XKPGDAUDUSKLAV-PSASIEDQSA-N 1 2 363.399 0.801 10 5 FCBELO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001634116591 1282301216 /nfs/dbraw/zinc/30/12/16/1282301216.db2.gz WDFNEWBRQPXHEF-GFCCVEGCSA-N 1 2 356.342 0.977 10 5 FCBELO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001641457372 1282951864 /nfs/dbraw/zinc/95/18/64/1282951864.db2.gz GKQQYIGELOSVLE-CQSZACIVSA-N 1 2 356.342 0.977 10 5 FCBELO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001597148395 1286329727 /nfs/dbraw/zinc/32/97/27/1286329727.db2.gz NZJFLQOQWXXHNJ-ZDUSSCGKSA-N 1 2 351.363 0.078 10 5 FCBELO O=C(NCC1(O)C[NH+](CCCc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724454004 1288443999 /nfs/dbraw/zinc/44/39/99/1288443999.db2.gz MNLWZOJJXUNGRX-HUUCEWRRSA-N 1 2 351.378 0.586 10 5 FCBELO Cc1nc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001732063421 1288572866 /nfs/dbraw/zinc/57/28/66/1288572866.db2.gz NGWYNIJLGJUGCL-HUUCEWRRSA-N 1 2 365.434 0.533 10 5 FCBELO CC(C)(C(=O)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1c[nH+]c[nH]1 ZINC001737309210 1289526808 /nfs/dbraw/zinc/52/68/08/1289526808.db2.gz IGLOZXPXOLUCJL-CHWSQXEVSA-N 1 2 363.418 0.850 10 5 FCBELO O=C(Cn1c[nH+]c2c1CCCC2)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001738504045 1289691841 /nfs/dbraw/zinc/69/18/41/1289691841.db2.gz JSKICTADYXTRCR-YUOQAEMBSA-N 1 2 361.402 0.216 10 5 FCBELO C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC001655522869 1291470354 /nfs/dbraw/zinc/47/03/54/1291470354.db2.gz YEJPBQLQYLDLLL-GASCZTMLSA-N 1 2 355.416 0.513 10 5 FCBELO C[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC001655522869 1291470359 /nfs/dbraw/zinc/47/03/59/1291470359.db2.gz YEJPBQLQYLDLLL-GASCZTMLSA-N 1 2 355.416 0.513 10 5 FCBELO O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCOCC1 ZINC001656812601 1291564288 /nfs/dbraw/zinc/56/42/88/1291564288.db2.gz KDOOUFCFEREZMW-UHFFFAOYSA-N 1 2 359.386 0.940 10 5 FCBELO CN(C)c1cc(F)c(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001168350675 850584196 /nfs/dbraw/zinc/58/41/96/850584196.db2.gz UXVUYSAGNZLMEL-LLVKDONJSA-N 1 2 351.338 0.997 10 5 FCBELO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001168538797 850588849 /nfs/dbraw/zinc/58/88/49/850588849.db2.gz VETJOMUBMHNZDG-NSHDSACASA-N 1 2 352.347 0.868 10 5 FCBELO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2CO)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001168538797 850588852 /nfs/dbraw/zinc/58/88/52/850588852.db2.gz VETJOMUBMHNZDG-NSHDSACASA-N 1 2 352.347 0.868 10 5 FCBELO CC(C)N(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001270845791 859856089 /nfs/dbraw/zinc/85/60/89/859856089.db2.gz WKPRGWCQQNUWGD-ZIAGYGMSSA-N 1 2 352.435 0.443 10 5 FCBELO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001294691784 865850457 /nfs/dbraw/zinc/85/04/57/865850457.db2.gz ZSCWXXNBQFXAEH-JTQLQIEISA-N 1 2 373.797 0.535 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001301605543 866274021 /nfs/dbraw/zinc/27/40/21/866274021.db2.gz QBWXZIKHCKUOBI-CQSZACIVSA-N 1 2 351.359 0.520 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001301605543 866274041 /nfs/dbraw/zinc/27/40/41/866274041.db2.gz QBWXZIKHCKUOBI-CQSZACIVSA-N 1 2 351.359 0.520 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284815994 213227590 /nfs/dbraw/zinc/22/75/90/213227590.db2.gz ADVICRCFWDCPIN-CLAHSXSESA-N 1 2 356.766 0.497 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284815994 213227592 /nfs/dbraw/zinc/22/75/92/213227592.db2.gz ADVICRCFWDCPIN-CLAHSXSESA-N 1 2 356.766 0.497 10 5 FCBELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000245782022 209374188 /nfs/dbraw/zinc/37/41/88/209374188.db2.gz CPINFUWNYSTJRE-MNOVXSKESA-N 1 2 361.395 0.810 10 5 FCBELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000245782022 209374192 /nfs/dbraw/zinc/37/41/92/209374192.db2.gz CPINFUWNYSTJRE-MNOVXSKESA-N 1 2 361.395 0.810 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190170650 209267972 /nfs/dbraw/zinc/26/79/72/209267972.db2.gz WHYHAEXWISBXKD-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190170650 209267974 /nfs/dbraw/zinc/26/79/74/209267974.db2.gz WHYHAEXWISBXKD-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000376065440 217352685 /nfs/dbraw/zinc/35/26/85/217352685.db2.gz GVQLTEKKIYXLKW-UHFFFAOYSA-N 1 2 365.386 0.600 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377773520 217593791 /nfs/dbraw/zinc/59/37/91/217593791.db2.gz HGMLIZPVEPVRJY-UHFFFAOYSA-N 1 2 372.447 0.918 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377773520 217593794 /nfs/dbraw/zinc/59/37/94/217593794.db2.gz HGMLIZPVEPVRJY-UHFFFAOYSA-N 1 2 372.447 0.918 10 5 FCBELO CCc1n[nH]c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000270156105 211159191 /nfs/dbraw/zinc/15/91/91/211159191.db2.gz XWGPWJFCGINRDS-UHFFFAOYSA-N 1 2 352.395 0.116 10 5 FCBELO CCc1[nH]nc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000270156105 211159194 /nfs/dbraw/zinc/15/91/94/211159194.db2.gz XWGPWJFCGINRDS-UHFFFAOYSA-N 1 2 352.395 0.116 10 5 FCBELO O=C(C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000049980468 488102514 /nfs/dbraw/zinc/10/25/14/488102514.db2.gz MMGIGANJQZWXRN-UHFFFAOYSA-N 1 2 352.366 0.715 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249145427 488506608 /nfs/dbraw/zinc/50/66/08/488506608.db2.gz ZYLGMQWNZJJFIG-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249145427 488506611 /nfs/dbraw/zinc/50/66/11/488506611.db2.gz ZYLGMQWNZJJFIG-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124476391 488593474 /nfs/dbraw/zinc/59/34/74/488593474.db2.gz WBCQXBLYXKFNRQ-UHFFFAOYSA-N 1 2 357.432 0.891 10 5 FCBELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000127167464 488615211 /nfs/dbraw/zinc/61/52/11/488615211.db2.gz JXBCQIQWNNBAPV-HNNXBMFYSA-N 1 2 372.385 0.769 10 5 FCBELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000127167464 488615213 /nfs/dbraw/zinc/61/52/13/488615213.db2.gz JXBCQIQWNNBAPV-HNNXBMFYSA-N 1 2 372.385 0.769 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000273176106 488636380 /nfs/dbraw/zinc/63/63/80/488636380.db2.gz PLAVXMGLPUYDFR-UHFFFAOYSA-N 1 2 368.371 0.947 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000152942714 488724880 /nfs/dbraw/zinc/72/48/80/488724880.db2.gz NWBRIBHPUDWKLK-UHFFFAOYSA-N 1 2 355.416 0.956 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158743092 488779929 /nfs/dbraw/zinc/77/99/29/488779929.db2.gz LHJQOKSXTRYCDL-UHFFFAOYSA-N 1 2 357.432 0.846 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000158743092 488779930 /nfs/dbraw/zinc/77/99/30/488779930.db2.gz LHJQOKSXTRYCDL-UHFFFAOYSA-N 1 2 357.432 0.846 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000163064561 488806393 /nfs/dbraw/zinc/80/63/93/488806393.db2.gz ZNSDIQWJXFKIAU-HNNXBMFYSA-N 1 2 369.443 0.920 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000163064561 488806394 /nfs/dbraw/zinc/80/63/94/488806394.db2.gz ZNSDIQWJXFKIAU-HNNXBMFYSA-N 1 2 369.443 0.920 10 5 FCBELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173985961 488846777 /nfs/dbraw/zinc/84/67/77/488846777.db2.gz BIHICJHRZWQYRY-INIZCTEOSA-N 1 2 360.414 0.890 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000363208761 489438176 /nfs/dbraw/zinc/43/81/76/489438176.db2.gz FTVOWMQPLLSEAS-UHFFFAOYSA-N 1 2 350.375 0.254 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000363208761 489438179 /nfs/dbraw/zinc/43/81/79/489438179.db2.gz FTVOWMQPLLSEAS-UHFFFAOYSA-N 1 2 350.375 0.254 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452104396 489546746 /nfs/dbraw/zinc/54/67/46/489546746.db2.gz LZADQMTUNZGUPI-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452104396 489546747 /nfs/dbraw/zinc/54/67/47/489546747.db2.gz LZADQMTUNZGUPI-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1C ZINC000452108558 489547892 /nfs/dbraw/zinc/54/78/92/489547892.db2.gz VQRRDGOIAWVVQI-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1C ZINC000452108558 489547893 /nfs/dbraw/zinc/54/78/93/489547893.db2.gz VQRRDGOIAWVVQI-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416494061 489601030 /nfs/dbraw/zinc/60/10/30/489601030.db2.gz HNSSNIZJBCTOTO-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416494061 489601033 /nfs/dbraw/zinc/60/10/33/489601033.db2.gz HNSSNIZJBCTOTO-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1c(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457117143 489636457 /nfs/dbraw/zinc/63/64/57/489636457.db2.gz JIRRNKOZOYQLPQ-GFCCVEGCSA-N 1 2 374.401 0.623 10 5 FCBELO Cc1c(C(=O)N2CC[N@H+](CCO)C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457117143 489636461 /nfs/dbraw/zinc/63/64/61/489636461.db2.gz JIRRNKOZOYQLPQ-GFCCVEGCSA-N 1 2 374.401 0.623 10 5 FCBELO 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0.864 10 5 FCBELO Cc1csc(NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001479771446 1263410446 /nfs/dbraw/zinc/41/04/46/1263410446.db2.gz YUESWCUUXWLRGD-GHMZBOCLSA-N 1 2 355.420 0.493 10 5 FCBELO Cc1csc(NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001479771446 1263410449 /nfs/dbraw/zinc/41/04/49/1263410449.db2.gz YUESWCUUXWLRGD-GHMZBOCLSA-N 1 2 355.420 0.493 10 5 FCBELO CCc1nc(C)c(C[NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001479931330 1263417065 /nfs/dbraw/zinc/41/70/65/1263417065.db2.gz WFVRDQHQKIPMQM-ZIAGYGMSSA-N 1 2 365.434 0.444 10 5 FCBELO CC(C)(C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001493130525 1263703333 /nfs/dbraw/zinc/70/33/33/1263703333.db2.gz BSDXITPJMMOONP-HUUCEWRRSA-N 1 2 366.462 0.738 10 5 FCBELO CC(C)c1nc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)no1 ZINC001502623842 1264178358 /nfs/dbraw/zinc/17/83/58/1264178358.db2.gz RFAZUESFIIIDKJ-VXGBXAGGSA-N 1 2 367.406 0.613 10 5 FCBELO CC/C(C)=C\C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001524059728 1266681474 /nfs/dbraw/zinc/68/14/74/1266681474.db2.gz NPPTVQOUZAAKKT-MKQVVRHOSA-N 1 2 352.435 0.658 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001546259386 1267642180 /nfs/dbraw/zinc/64/21/80/1267642180.db2.gz PXTCXYPNAQSSDP-JTQLQIEISA-N 1 2 351.363 0.281 10 5 FCBELO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001546259386 1267642183 /nfs/dbraw/zinc/64/21/83/1267642183.db2.gz PXTCXYPNAQSSDP-JTQLQIEISA-N 1 2 351.363 0.281 10 5 FCBELO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001560088705 1269187014 /nfs/dbraw/zinc/18/70/14/1269187014.db2.gz PUGBNMNKVAQHMA-PWSUYJOCSA-N 1 2 365.312 0.295 10 5 FCBELO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001560088705 1269187019 /nfs/dbraw/zinc/18/70/19/1269187019.db2.gz PUGBNMNKVAQHMA-PWSUYJOCSA-N 1 2 365.312 0.295 10 5 FCBELO CC(C)c1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1[N+](=O)[O-] ZINC001566715053 1269659919 /nfs/dbraw/zinc/65/99/19/1269659919.db2.gz TVQYZLLNAMGTRQ-NSHDSACASA-N 1 2 365.390 0.951 10 5 FCBELO CN(C)c1noc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001569700014 1269797878 /nfs/dbraw/zinc/79/78/78/1269797878.db2.gz LKLYMLUBLKZGHA-VXGBXAGGSA-N 1 2 366.422 0.519 10 5 FCBELO CS(C)(=O)=NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001570546433 1269901437 /nfs/dbraw/zinc/90/14/37/1269901437.db2.gz VCRKLOCCVQTIBS-UHFFFAOYSA-N 1 2 365.371 0.765 10 5 FCBELO O=C(CC(F)(F)F)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001577827289 1274939419 /nfs/dbraw/zinc/93/94/19/1274939419.db2.gz RVLQJDJMGSKTQO-GHMZBOCLSA-N 1 2 366.340 0.255 10 5 FCBELO CCCN(CCC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713281606 1287272851 /nfs/dbraw/zinc/27/28/51/1287272851.db2.gz VWMXCELVWPYQMT-SSZWKKLZSA-N 1 2 352.435 0.347 10 5 FCBELO CCCN(CCC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713281606 1287272853 /nfs/dbraw/zinc/27/28/53/1287272853.db2.gz VWMXCELVWPYQMT-SSZWKKLZSA-N 1 2 352.435 0.347 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC001713451147 1287279253 /nfs/dbraw/zinc/27/92/53/1287279253.db2.gz CUZHEBIAWPBUOS-CHWSQXEVSA-N 1 2 354.794 0.992 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC001713451147 1287279254 /nfs/dbraw/zinc/27/92/54/1287279254.db2.gz CUZHEBIAWPBUOS-CHWSQXEVSA-N 1 2 354.794 0.992 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2cc(F)cc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713805814 1287299866 /nfs/dbraw/zinc/29/98/66/1287299866.db2.gz QLFHZRVMRFIZTK-HZPDHXFCSA-N 1 2 368.384 0.864 10 5 FCBELO CCc1noc(C)c1C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713806007 1287299777 /nfs/dbraw/zinc/29/97/77/1287299777.db2.gz VAEZAGWDCNDXBF-CZUORRHYSA-N 1 2 365.434 0.444 10 5 FCBELO CN(Cc1ccccc1F)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714536131 1287325304 /nfs/dbraw/zinc/32/53/04/1287325304.db2.gz OTKATOIDKMZBON-UKRRQHHQSA-N 1 2 366.393 0.497 10 5 FCBELO CN(Cc1ccccc1F)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714536131 1287325310 /nfs/dbraw/zinc/32/53/10/1287325310.db2.gz OTKATOIDKMZBON-UKRRQHHQSA-N 1 2 366.393 0.497 10 5 FCBELO O=C(NC/C=C\C[NH2+]Cc1nnnn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715814675 1287361236 /nfs/dbraw/zinc/36/12/36/1287361236.db2.gz MQKORNGFFGZQAD-UUSXEQNQSA-N 1 2 357.374 0.090 10 5 FCBELO CC(C)c1nnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC001717318746 1287417779 /nfs/dbraw/zinc/41/77/79/1287417779.db2.gz ICQGCADAHYAAFR-VXGBXAGGSA-N 1 2 366.422 0.036 10 5 FCBELO CN(CC(C)(C)CNC(=O)CCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718124346 1287460589 /nfs/dbraw/zinc/46/05/89/1287460589.db2.gz KEIIYRLPNNGTTE-CHWSQXEVSA-N 1 2 351.407 0.539 10 5 FCBELO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001588071549 1282400583 /nfs/dbraw/zinc/40/05/83/1282400583.db2.gz HEGKKIGYEUAICN-UHFFFAOYSA-N 1 2 359.390 0.277 10 5 FCBELO COC(=O)[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](O)C1 ZINC001588267136 1282414802 /nfs/dbraw/zinc/41/48/02/1282414802.db2.gz KCKYGMNZWUXASY-AITUWYQGSA-N 1 2 360.326 0.577 10 5 FCBELO CC(C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)=C1CCC1 ZINC001703776403 1286138772 /nfs/dbraw/zinc/13/87/72/1286138772.db2.gz SKMZGEXWZOXFSH-HZPDHXFCSA-N 1 2 364.446 0.803 10 5 FCBELO CC(C)(C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001703776769 1286138881 /nfs/dbraw/zinc/13/88/81/1286138881.db2.gz HPBOMNCRDZSNTI-HUUCEWRRSA-N 1 2 366.462 0.738 10 5 FCBELO CC1(C(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC=CC1 ZINC001703775789 1286138923 /nfs/dbraw/zinc/13/89/23/1286138923.db2.gz HDADGCJABWMHCF-HUUCEWRRSA-N 1 2 364.446 0.658 10 5 FCBELO Cc1ccc(CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001731770567 1288563424 /nfs/dbraw/zinc/56/34/24/1288563424.db2.gz XHTJGRAECMVHJG-UKRRQHHQSA-N 1 2 366.393 0.464 10 5 FCBELO Cc1ccc(CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001731770567 1288563431 /nfs/dbraw/zinc/56/34/31/1288563431.db2.gz XHTJGRAECMVHJG-UKRRQHHQSA-N 1 2 366.393 0.464 10 5 FCBELO CC(C)CNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001700622304 1289599563 /nfs/dbraw/zinc/59/95/63/1289599563.db2.gz CGLZYULXDSUQOP-DTDBQYNISA-N 1 2 366.462 0.594 10 5 FCBELO CC(C)CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001700622304 1289599575 /nfs/dbraw/zinc/59/95/75/1289599575.db2.gz CGLZYULXDSUQOP-DTDBQYNISA-N 1 2 366.462 0.594 10 5 FCBELO COc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC001630599662 1290680044 /nfs/dbraw/zinc/68/00/44/1290680044.db2.gz QEUIUNHFXXUQGB-SNVBAGLBSA-N 1 2 350.331 0.809 10 5 FCBELO C[N@@H+](Cc1ncc(Br)cn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654797812 1291436593 /nfs/dbraw/zinc/43/65/93/1291436593.db2.gz QASKGGFMQKPZTJ-LLVKDONJSA-N 1 2 371.195 0.837 10 5 FCBELO C[N@H+](Cc1ncc(Br)cn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654797812 1291436598 /nfs/dbraw/zinc/43/65/98/1291436598.db2.gz QASKGGFMQKPZTJ-LLVKDONJSA-N 1 2 371.195 0.837 10 5 FCBELO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001655430922 1291468162 /nfs/dbraw/zinc/46/81/62/1291468162.db2.gz IWDRZEJSTORSFX-BDJLRTHQSA-N 1 2 351.359 0.840 10 5 FCBELO COC(=O)[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001655430922 1291468166 /nfs/dbraw/zinc/46/81/66/1291468166.db2.gz IWDRZEJSTORSFX-BDJLRTHQSA-N 1 2 351.359 0.840 10 5 FCBELO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC001265191873 859455086 /nfs/dbraw/zinc/45/50/86/859455086.db2.gz GZGHYIQBYINQHE-ZIAGYGMSSA-N 1 2 354.451 0.737 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265258562 859456203 /nfs/dbraw/zinc/45/62/03/859456203.db2.gz MCMHVWMSQHAALH-ZIAGYGMSSA-N 1 2 367.837 0.634 10 5 FCBELO Cc1nc(C)c(C[NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001265258546 859456411 /nfs/dbraw/zinc/45/64/11/859456411.db2.gz LVLCAMPZXXYOER-ZIAGYGMSSA-N 1 2 367.475 0.659 10 5 FCBELO CN(CC[N@H+](C)CC(=O)N1CCCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237275 859527240 /nfs/dbraw/zinc/52/72/40/859527240.db2.gz GHBFIXPURLSHPL-HUUCEWRRSA-N 1 2 354.451 0.835 10 5 FCBELO CN(CC[N@@H+](C)CC(=O)N1CCCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237275 859527245 /nfs/dbraw/zinc/52/72/45/859527245.db2.gz GHBFIXPURLSHPL-HUUCEWRRSA-N 1 2 354.451 0.835 10 5 FCBELO Cn1cc(C[N@H+](C)CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001271773056 860007787 /nfs/dbraw/zinc/00/77/87/860007787.db2.gz YUSVLULNCWMGHT-HUUCEWRRSA-N 1 2 350.423 0.541 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001298752639 866129679 /nfs/dbraw/zinc/12/96/79/866129679.db2.gz WOXLJDOOLJVHLE-LLVKDONJSA-N 1 2 371.415 0.185 10 5 FCBELO COc1nccnc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296335598 214345199 /nfs/dbraw/zinc/34/51/99/214345199.db2.gz HZMWIYVXAJYDNG-UHFFFAOYSA-N 1 2 367.387 0.462 10 5 FCBELO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000283859175 213021864 /nfs/dbraw/zinc/02/18/64/213021864.db2.gz DCSJVIFKUBLGKD-OAHLLOKOSA-N 1 2 357.432 0.918 10 5 FCBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@](O)(CO)C1 ZINC000413414237 237326250 /nfs/dbraw/zinc/32/62/50/237326250.db2.gz WXBKKWDNUVAMSC-KRWDZBQOSA-N 1 2 351.403 0.751 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000188730181 209236393 /nfs/dbraw/zinc/23/63/93/209236393.db2.gz JQKIJNSSTZWNEA-CYBMUJFWSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000188730181 209236395 /nfs/dbraw/zinc/23/63/95/209236395.db2.gz JQKIJNSSTZWNEA-CYBMUJFWSA-N 1 2 357.432 0.466 10 5 FCBELO COc1ccc(C(=O)NCC(=O)N2CCn3cc(C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000374678240 217156342 /nfs/dbraw/zinc/15/63/42/217156342.db2.gz KZXWVEJZKATUCF-UHFFFAOYSA-N 1 2 373.369 0.881 10 5 FCBELO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000181386563 209112531 /nfs/dbraw/zinc/11/25/31/209112531.db2.gz HURVNPNNMNHSIK-AWEZNQCLSA-N 1 2 355.358 0.991 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](C)OC)CC2)cc1[N+](=O)[O-] ZINC000272841462 211617267 /nfs/dbraw/zinc/61/72/67/211617267.db2.gz SZXIXRZAKUZUBN-GFCCVEGCSA-N 1 2 373.431 0.945 10 5 FCBELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072632521 208038675 /nfs/dbraw/zinc/03/86/75/208038675.db2.gz VPVXHHBBQJEHCB-RYUDHWBXSA-N 1 2 366.403 0.712 10 5 FCBELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072632521 208038680 /nfs/dbraw/zinc/03/86/80/208038680.db2.gz VPVXHHBBQJEHCB-RYUDHWBXSA-N 1 2 366.403 0.712 10 5 FCBELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000104798973 208186597 /nfs/dbraw/zinc/18/65/97/208186597.db2.gz UHGFIZQSSHUMAS-MRXNPFEDSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000104798973 208186603 /nfs/dbraw/zinc/18/66/03/208186603.db2.gz UHGFIZQSSHUMAS-MRXNPFEDSA-N 1 2 363.418 0.757 10 5 FCBELO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000116887510 208336151 /nfs/dbraw/zinc/33/61/51/208336151.db2.gz MCZWJKIKUWZIBI-NSHDSACASA-N 1 2 367.387 0.768 10 5 FCBELO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000116887510 208336156 /nfs/dbraw/zinc/33/61/56/208336156.db2.gz MCZWJKIKUWZIBI-NSHDSACASA-N 1 2 367.387 0.768 10 5 FCBELO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000301765190 488883097 /nfs/dbraw/zinc/88/30/97/488883097.db2.gz HQJGQZPRPQQNKN-LBPRGKRZSA-N 1 2 351.363 0.715 10 5 FCBELO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302015593 488886848 /nfs/dbraw/zinc/88/68/48/488886848.db2.gz YFNBKQAMAQQMPX-UHFFFAOYSA-N 1 2 368.419 0.558 10 5 FCBELO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066000321 488324062 /nfs/dbraw/zinc/32/40/62/488324062.db2.gz ATFKNOQXCCZMMK-UHFFFAOYSA-N 1 2 362.477 0.962 10 5 FCBELO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072950903 488383417 /nfs/dbraw/zinc/38/34/17/488383417.db2.gz RJRWIFVZECVFQW-UHFFFAOYSA-N 1 2 365.415 0.835 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000153180843 488727904 /nfs/dbraw/zinc/72/79/04/488727904.db2.gz ILTYXLHSXIGQBA-GFCCVEGCSA-N 1 2 359.379 0.875 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000153180843 488727906 /nfs/dbraw/zinc/72/79/06/488727906.db2.gz ILTYXLHSXIGQBA-GFCCVEGCSA-N 1 2 359.379 0.875 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1C ZINC000158717003 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ZINC000601413648 491915830 /nfs/dbraw/zinc/91/58/30/491915830.db2.gz DQAXPQLOBZZZJA-CQSZACIVSA-N 1 2 357.432 0.730 10 5 FCBELO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942534 492126149 /nfs/dbraw/zinc/12/61/49/492126149.db2.gz LYOIHSXBBIXIKV-VIFPVBQESA-N 1 2 355.310 0.128 10 5 FCBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000598947033 492126588 /nfs/dbraw/zinc/12/65/88/492126588.db2.gz LWDMTVVJCIMMHV-LLVKDONJSA-N 1 2 369.337 0.799 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000599130498 492137506 /nfs/dbraw/zinc/13/75/06/492137506.db2.gz YPXSUAMEUWIOAT-KRWDZBQOSA-N 1 2 364.402 0.721 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000599130498 492137508 /nfs/dbraw/zinc/13/75/08/492137508.db2.gz YPXSUAMEUWIOAT-KRWDZBQOSA-N 1 2 364.402 0.721 10 5 FCBELO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000599217340 492144082 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1 2 368.390 0.612 10 5 FCBELO CNC(=O)NC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000599539917 492185102 /nfs/dbraw/zinc/18/51/02/492185102.db2.gz RQPDPDWSTYURQR-ZDUSSCGKSA-N 1 2 368.390 0.612 10 5 FCBELO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c([N+](=O)[O-])c1 ZINC000599632759 492195197 /nfs/dbraw/zinc/19/51/97/492195197.db2.gz CVEZRUXVUNRGCX-OLZOCXBDSA-N 1 2 353.400 0.845 10 5 FCBELO NC(=O)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c([N+](=O)[O-])c1 ZINC000599632759 492195200 /nfs/dbraw/zinc/19/52/00/492195200.db2.gz CVEZRUXVUNRGCX-OLZOCXBDSA-N 1 2 353.400 0.845 10 5 FCBELO Cc1[nH]nc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000610066752 492232449 /nfs/dbraw/zinc/23/24/49/492232449.db2.gz HLUYMVLWKZEQFC-UHFFFAOYSA-N 1 2 360.378 0.445 10 5 FCBELO Cc1n[nH]c(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000610066752 492232450 /nfs/dbraw/zinc/23/24/50/492232450.db2.gz HLUYMVLWKZEQFC-UHFFFAOYSA-N 1 2 360.378 0.445 10 5 FCBELO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600232575 492252011 /nfs/dbraw/zinc/25/20/11/492252011.db2.gz SHGAOUHBRRHRHU-MRXNPFEDSA-N 1 2 352.391 0.279 10 5 FCBELO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600232575 492252013 /nfs/dbraw/zinc/25/20/13/492252013.db2.gz SHGAOUHBRRHRHU-MRXNPFEDSA-N 1 2 352.391 0.279 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000600232558 492252103 /nfs/dbraw/zinc/25/21/03/492252103.db2.gz RUFSCBYEKJXGOS-KRWDZBQOSA-N 1 2 364.402 0.523 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000600232558 492252105 /nfs/dbraw/zinc/25/21/05/492252105.db2.gz RUFSCBYEKJXGOS-KRWDZBQOSA-N 1 2 364.402 0.523 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615167 492254756 /nfs/dbraw/zinc/25/47/56/492254756.db2.gz LQGFJDJXGYILFC-LBPRGKRZSA-N 1 2 370.431 0.889 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615167 492254758 /nfs/dbraw/zinc/25/47/58/492254758.db2.gz LQGFJDJXGYILFC-LBPRGKRZSA-N 1 2 370.431 0.889 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619487758 492265705 /nfs/dbraw/zinc/26/57/05/492265705.db2.gz OYRBONKXMKYPNA-LBPRGKRZSA-N 1 2 373.431 0.681 10 5 FCBELO Nc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525271 492289524 /nfs/dbraw/zinc/28/95/24/492289524.db2.gz SOXFZBCWEKLTOF-UHFFFAOYSA-N 1 2 363.418 0.414 10 5 FCBELO Cc1cc(NC[C@@H](O)Cn2ccnn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413434298 534033818 /nfs/dbraw/zinc/03/38/18/534033818.db2.gz KAZRKOXHTVHNMU-CQSZACIVSA-N 1 2 355.358 0.847 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000181917635 546843055 /nfs/dbraw/zinc/84/30/55/546843055.db2.gz YSELXOFXOBRAOP-HNNXBMFYSA-N 1 2 369.443 0.775 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000181917635 546843061 /nfs/dbraw/zinc/84/30/61/546843061.db2.gz YSELXOFXOBRAOP-HNNXBMFYSA-N 1 2 369.443 0.775 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000593016021 546961919 /nfs/dbraw/zinc/96/19/19/546961919.db2.gz HDJGVVRPPFFYMP-LBPRGKRZSA-N 1 2 357.388 0.634 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000593016021 546961923 /nfs/dbraw/zinc/96/19/23/546961923.db2.gz HDJGVVRPPFFYMP-LBPRGKRZSA-N 1 2 357.388 0.634 10 5 FCBELO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593545115 546972852 /nfs/dbraw/zinc/97/28/52/546972852.db2.gz UHBFYZTZGYFBJI-UHFFFAOYSA-N 1 2 366.403 0.230 10 5 FCBELO COCCOCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000593886172 546993881 /nfs/dbraw/zinc/99/38/81/546993881.db2.gz DZBQOQZXAKTRGT-UHFFFAOYSA-N 1 2 352.391 0.598 10 5 FCBELO COCCOCC[NH+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000593887151 546994548 /nfs/dbraw/zinc/99/45/48/546994548.db2.gz OWPCKVPWUHVQET-UHFFFAOYSA-N 1 2 353.375 0.721 10 5 FCBELO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594760487 547006021 /nfs/dbraw/zinc/00/60/21/547006021.db2.gz ZYCHIWQJXGUAKW-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000594764803 547006717 /nfs/dbraw/zinc/00/67/17/547006717.db2.gz SHKJNTJULYNECW-STQMWFEESA-N 1 2 370.431 0.912 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CCO ZINC000839518604 668005036 /nfs/dbraw/zinc/00/50/36/668005036.db2.gz DISFOWULFLDPQY-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1CCO ZINC000839518604 668005037 /nfs/dbraw/zinc/00/50/37/668005037.db2.gz DISFOWULFLDPQY-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CCO ZINC000778940271 668399849 /nfs/dbraw/zinc/39/98/49/668399849.db2.gz AVLUMNZKAXBEGF-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1CCO ZINC000778940271 668399854 /nfs/dbraw/zinc/39/98/54/668399854.db2.gz AVLUMNZKAXBEGF-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000778942509 668400422 /nfs/dbraw/zinc/40/04/22/668400422.db2.gz UHDMEAUWUQSWIQ-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000778942509 668400424 /nfs/dbraw/zinc/40/04/24/668400424.db2.gz UHDMEAUWUQSWIQ-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837192567 670086427 /nfs/dbraw/zinc/08/64/27/670086427.db2.gz VIRACWKPOXXBAL-VIFPVBQESA-N 1 2 351.388 0.738 10 5 FCBELO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000837192567 670086431 /nfs/dbraw/zinc/08/64/31/670086431.db2.gz VIRACWKPOXXBAL-VIFPVBQESA-N 1 2 351.388 0.738 10 5 FCBELO Cc1cccc(CNC(=O)C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001267680700 1182866759 /nfs/dbraw/zinc/86/67/59/1182866759.db2.gz UMXNSSALLILVMB-HZPDHXFCSA-N 1 2 360.414 0.324 10 5 FCBELO Cn1c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nnc1-c1ccccc1 ZINC001670781226 1186293417 /nfs/dbraw/zinc/29/34/17/1186293417.db2.gz HYHGPQMEXHFYIX-ZIAGYGMSSA-N 1 2 370.413 0.886 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000862644904 1209919155 /nfs/dbraw/zinc/91/91/55/1209919155.db2.gz SEAXPXAKZVMRJT-KRWDZBQOSA-N 1 2 364.402 0.523 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000862644904 1209919157 /nfs/dbraw/zinc/91/91/57/1209919157.db2.gz SEAXPXAKZVMRJT-KRWDZBQOSA-N 1 2 364.402 0.523 10 5 FCBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001141204658 1222637594 /nfs/dbraw/zinc/63/75/94/1222637594.db2.gz ZLNRDXBSCJSEAR-PHIMTYICSA-N 1 2 355.310 0.125 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001141208420 1222638149 /nfs/dbraw/zinc/63/81/49/1222638149.db2.gz KOMBWIQDRNMPNZ-PHIMTYICSA-N 1 2 355.310 0.125 10 5 FCBELO Cc1cnc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC001279431200 1260868749 /nfs/dbraw/zinc/86/87/49/1260868749.db2.gz GNFQLBMIBFFANW-HUUCEWRRSA-N 1 2 362.434 0.120 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001471978261 1261421832 /nfs/dbraw/zinc/42/18/32/1261421832.db2.gz PBFMCMSOOVPVSI-UHFFFAOYSA-N 1 2 359.386 0.970 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001471978261 1261421837 /nfs/dbraw/zinc/42/18/37/1261421837.db2.gz PBFMCMSOOVPVSI-UHFFFAOYSA-N 1 2 359.386 0.970 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001473808941 1261499669 /nfs/dbraw/zinc/49/96/69/1261499669.db2.gz JXLIDUMGSWINMT-UHFFFAOYSA-N 1 2 367.402 0.678 10 5 FCBELO Cc1ccoc1C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283817920 1261709884 /nfs/dbraw/zinc/70/98/84/1261709884.db2.gz XCGGQDCHSXIDGK-ZIAGYGMSSA-N 1 2 364.402 0.517 10 5 FCBELO Cn1cc[nH+]c1CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001285120117 1261812517 /nfs/dbraw/zinc/81/25/17/1261812517.db2.gz KFVIXTYANKFRRS-CHWSQXEVSA-N 1 2 363.418 0.563 10 5 FCBELO CC(C)C(C)(C)C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001294669559 1262738773 /nfs/dbraw/zinc/73/87/73/1262738773.db2.gz VZJSFQLLHRGQHC-HUUCEWRRSA-N 1 2 368.478 0.984 10 5 FCBELO COCC[N@H+](Cc1nc(C)no1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483819454 1263445009 /nfs/dbraw/zinc/44/50/09/1263445009.db2.gz PLRAKVFGUSZOFL-ZIAGYGMSSA-N 1 2 367.406 0.483 10 5 FCBELO COCC[N@@H+](Cc1nc(C)no1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483819454 1263445035 /nfs/dbraw/zinc/44/50/35/1263445035.db2.gz PLRAKVFGUSZOFL-ZIAGYGMSSA-N 1 2 367.406 0.483 10 5 FCBELO CN(C)c1noc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001485250768 1263499076 /nfs/dbraw/zinc/49/90/76/1263499076.db2.gz RQJMKCQXHPWBQP-GHMZBOCLSA-N 1 2 354.411 0.375 10 5 FCBELO CN(CC[NH+]1CCN(Cc2ccc(F)cn2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317819007 1263523688 /nfs/dbraw/zinc/52/36/88/1263523688.db2.gz OLOUWZGZOOLBOG-HZPDHXFCSA-N 1 2 365.409 0.462 10 5 FCBELO O=C(CC(F)(F)F)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001493133814 1263701294 /nfs/dbraw/zinc/70/12/94/1263701294.db2.gz QANGEKBEVOGMSK-GHMZBOCLSA-N 1 2 366.340 0.255 10 5 FCBELO Cc1[nH+]ccn1CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001334050540 1266794632 /nfs/dbraw/zinc/79/46/32/1266794632.db2.gz JLVSPIBBRVJHRI-CHWSQXEVSA-N 1 2 351.407 0.458 10 5 FCBELO Cn1c[nH+]c(CCNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001527794809 1266924742 /nfs/dbraw/zinc/92/47/42/1266924742.db2.gz OAEPXIPMRHVFKT-UHFFFAOYSA-N 1 2 352.372 0.704 10 5 FCBELO C/C(=C\C(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001530104475 1267094907 /nfs/dbraw/zinc/09/49/07/1267094907.db2.gz YCFNCTWOKPSBFG-SXRGSSEVSA-N 1 2 364.446 0.611 10 5 FCBELO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566713349 1269659581 /nfs/dbraw/zinc/65/95/81/1269659581.db2.gz CAJUBHPDTAZPHG-LSDHHAIUSA-N 1 2 363.370 0.524 10 5 FCBELO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001571686739 1269951068 /nfs/dbraw/zinc/95/10/68/1269951068.db2.gz HFBXYVNXLBDVIL-HUUCEWRRSA-N 1 2 362.386 0.309 10 5 FCBELO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001571686739 1269951075 /nfs/dbraw/zinc/95/10/75/1269951075.db2.gz HFBXYVNXLBDVIL-HUUCEWRRSA-N 1 2 362.386 0.309 10 5 FCBELO O=C(CCCn1cc[nH+]c1)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001572591148 1270098266 /nfs/dbraw/zinc/09/82/66/1270098266.db2.gz RPCSYKMSQQHTQU-HUUCEWRRSA-N 1 2 361.402 0.603 10 5 FCBELO CCc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001717318908 1287417430 /nfs/dbraw/zinc/41/74/30/1287417430.db2.gz OCRDKKYUBSMXNT-CHWSQXEVSA-N 1 2 352.391 0.345 10 5 FCBELO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC(=O)NCC1CC1)C2 ZINC001717631936 1287431172 /nfs/dbraw/zinc/43/11/72/1287431172.db2.gz UMFPTGHLXOBHER-DTDBQYNISA-N 1 2 364.446 0.348 10 5 FCBELO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001717631936 1287431179 /nfs/dbraw/zinc/43/11/79/1287431179.db2.gz UMFPTGHLXOBHER-DTDBQYNISA-N 1 2 364.446 0.348 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC001583471007 1282093017 /nfs/dbraw/zinc/09/30/17/1282093017.db2.gz DLIVQDSNTLBCGU-JTQLQIEISA-N 1 2 353.400 0.965 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC001583471007 1282093019 /nfs/dbraw/zinc/09/30/19/1282093019.db2.gz DLIVQDSNTLBCGU-JTQLQIEISA-N 1 2 353.400 0.965 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001642519698 1283018105 /nfs/dbraw/zinc/01/81/05/1283018105.db2.gz HPRTYDNFOXCCDW-GFCCVEGCSA-N 1 2 364.402 0.538 10 5 FCBELO O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001705281071 1286370390 /nfs/dbraw/zinc/37/03/90/1286370390.db2.gz PAYLNUSQICYLNP-HUUCEWRRSA-N 1 2 369.381 0.916 10 5 FCBELO CN(CCC[N@H+](C)CC(=O)N(C)c1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724849856 1288451956 /nfs/dbraw/zinc/45/19/56/1288451956.db2.gz AMDVUOCQDBBRGF-VXGBXAGGSA-N 1 2 369.447 0.551 10 5 FCBELO CN(CCC[N@@H+](C)CC(=O)N(C)c1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724849856 1288451961 /nfs/dbraw/zinc/45/19/61/1288451961.db2.gz AMDVUOCQDBBRGF-VXGBXAGGSA-N 1 2 369.447 0.551 10 5 FCBELO CCc1nocc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001731357239 1288553494 /nfs/dbraw/zinc/55/34/94/1288553494.db2.gz GZDFSENTIFIOEK-GDBMZVCRSA-N 1 2 365.434 0.526 10 5 FCBELO O=C(NC1(C[NH2+]CC(F)(F)C(F)F)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700246869 1289589769 /nfs/dbraw/zinc/58/97/69/1289589769.db2.gz QPYMHRLRHNINDE-RKDXNWHRSA-N 1 2 357.304 0.807 10 5 FCBELO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487116 1289992436 /nfs/dbraw/zinc/99/24/36/1289992436.db2.gz PPWAQFYFUPAGOL-XNJGSVPQSA-N 1 2 368.386 0.987 10 5 FCBELO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001620487116 1289992446 /nfs/dbraw/zinc/99/24/46/1289992446.db2.gz PPWAQFYFUPAGOL-XNJGSVPQSA-N 1 2 368.386 0.987 10 5 FCBELO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001628390454 1290531091 /nfs/dbraw/zinc/53/10/91/1290531091.db2.gz RRYMWIJGSFCMMF-WFASDCNBSA-N 1 2 364.402 0.537 10 5 FCBELO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001628390454 1290531099 /nfs/dbraw/zinc/53/10/99/1290531099.db2.gz RRYMWIJGSFCMMF-WFASDCNBSA-N 1 2 364.402 0.537 10 5 FCBELO CN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663179686 1291748326 /nfs/dbraw/zinc/74/83/26/1291748326.db2.gz BBIKHEUIVXHUQB-HUUCEWRRSA-N 1 2 366.393 0.497 10 5 FCBELO CN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663179686 1291748330 /nfs/dbraw/zinc/74/83/30/1291748330.db2.gz BBIKHEUIVXHUQB-HUUCEWRRSA-N 1 2 366.393 0.497 10 5 FCBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001141645711 849403688 /nfs/dbraw/zinc/40/36/88/849403688.db2.gz MNHAPWFHEURCKF-NSHDSACASA-N 1 2 367.387 0.275 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC001142970542 849468948 /nfs/dbraw/zinc/46/89/48/849468948.db2.gz GSJJNYXPCIAKJG-JTQLQIEISA-N 1 2 364.383 0.940 10 5 FCBELO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)N(C)CC)CC1 ZINC001266386765 859479306 /nfs/dbraw/zinc/47/93/06/859479306.db2.gz QMEHDXABJZYGRZ-HUUCEWRRSA-N 1 2 354.451 0.833 10 5 FCBELO CC(=O)Nc1nc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cs1 ZINC001280480177 863425804 /nfs/dbraw/zinc/42/58/04/863425804.db2.gz DSLRRHIUKDGMJL-VXGBXAGGSA-N 1 2 367.431 0.895 10 5 FCBELO Cc1nc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)o1 ZINC001281614316 863540099 /nfs/dbraw/zinc/54/00/99/863540099.db2.gz YXBKZDRWBARCHU-TZMCWYRMSA-N 1 2 352.391 0.400 10 5 FCBELO CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001294448676 865833935 /nfs/dbraw/zinc/83/39/35/865833935.db2.gz OJYKAMSGTXRPKL-VXGBXAGGSA-N 1 2 351.407 0.707 10 5 FCBELO COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001300159476 866211275 /nfs/dbraw/zinc/21/12/75/866211275.db2.gz DQWXFOYRZRQVAF-UHFFFAOYSA-N 1 2 352.391 0.719 10 5 FCBELO CC(C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317041551 867519428 /nfs/dbraw/zinc/51/94/28/867519428.db2.gz DMKBHIAKSVPMIC-XJFOESAGSA-N 1 2 353.423 0.034 10 5 FCBELO CC(C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317041551 867519437 /nfs/dbraw/zinc/51/94/37/867519437.db2.gz DMKBHIAKSVPMIC-XJFOESAGSA-N 1 2 353.423 0.034 10 5 FCBELO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295534776 214303024 /nfs/dbraw/zinc/30/30/24/214303024.db2.gz VQWZTGSCFKOSQE-HOTGVXAUSA-N 1 2 369.443 0.773 10 5 FCBELO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295534776 214303028 /nfs/dbraw/zinc/30/30/28/214303028.db2.gz VQWZTGSCFKOSQE-HOTGVXAUSA-N 1 2 369.443 0.773 10 5 FCBELO Cc1cc(N2CCN(CC(N)=O)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413418896 237332414 /nfs/dbraw/zinc/33/24/14/237332414.db2.gz GMZINIPAPUPWPM-UHFFFAOYSA-N 1 2 370.369 0.494 10 5 FCBELO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367590755 216141630 /nfs/dbraw/zinc/14/16/30/216141630.db2.gz VYMCYLLODFDLCS-CYBMUJFWSA-N 1 2 364.402 0.437 10 5 FCBELO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367590755 216141633 /nfs/dbraw/zinc/14/16/33/216141633.db2.gz VYMCYLLODFDLCS-CYBMUJFWSA-N 1 2 364.402 0.437 10 5 FCBELO CCn1cc([C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)cn1 ZINC000190815263 209277527 /nfs/dbraw/zinc/27/75/27/209277527.db2.gz FIPJGVXXDXRVSN-GJZGRUSLSA-N 1 2 350.379 0.442 10 5 FCBELO CCn1cc([C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)cn1 ZINC000190815263 209277529 /nfs/dbraw/zinc/27/75/29/209277529.db2.gz FIPJGVXXDXRVSN-GJZGRUSLSA-N 1 2 350.379 0.442 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188725271 209235338 /nfs/dbraw/zinc/23/53/38/209235338.db2.gz IPSOWXSPCNUQPQ-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188725271 209235340 /nfs/dbraw/zinc/23/53/40/209235340.db2.gz IPSOWXSPCNUQPQ-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO Cc1c(F)cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1[N+](=O)[O-] ZINC000185670613 209179488 /nfs/dbraw/zinc/17/94/88/209179488.db2.gz ZHHAVAOPZMGGCM-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO Cc1c(F)cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000184855398 209167419 /nfs/dbraw/zinc/16/74/19/209167419.db2.gz JMJBAHGDSBRMHT-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO Cc1c(F)cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000184855398 209167424 /nfs/dbraw/zinc/16/74/24/209167424.db2.gz JMJBAHGDSBRMHT-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181924762 209123291 /nfs/dbraw/zinc/12/32/91/209123291.db2.gz XOZVPWLVGWCCOZ-AWEZNQCLSA-N 1 2 371.459 0.757 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181695440 209120784 /nfs/dbraw/zinc/12/07/84/209120784.db2.gz KBRQEQAWCAFQDQ-CQSZACIVSA-N 1 2 365.415 0.972 10 5 FCBELO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000425289269 247315533 /nfs/dbraw/zinc/31/55/33/247315533.db2.gz CVKWHWPYAKIOMS-NWDGAFQWSA-N 1 2 355.366 0.647 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180042889 209089972 /nfs/dbraw/zinc/08/99/72/209089972.db2.gz VIJMEKZNRXEZNE-OAHLLOKOSA-N 1 2 371.459 0.856 10 5 FCBELO O=C1C[C@]2(CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278822816 488897608 /nfs/dbraw/zinc/89/76/08/488897608.db2.gz HQITXGDTPCQJBC-OAHLLOKOSA-N 1 2 353.400 0.581 10 5 FCBELO O=C1C[C@]2(CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278822816 488897610 /nfs/dbraw/zinc/89/76/10/488897610.db2.gz HQITXGDTPCQJBC-OAHLLOKOSA-N 1 2 353.400 0.581 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279106998 488917500 /nfs/dbraw/zinc/91/75/00/488917500.db2.gz RTVLNESAKIPDRB-QLJPJBMISA-N 1 2 361.358 0.596 10 5 FCBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279106998 488917504 /nfs/dbraw/zinc/91/75/04/488917504.db2.gz RTVLNESAKIPDRB-QLJPJBMISA-N 1 2 361.358 0.596 10 5 FCBELO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185015039 488398864 /nfs/dbraw/zinc/39/88/64/488398864.db2.gz GIZDLLSVKGTIPA-AAEUAGOBSA-N 1 2 355.366 0.647 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000191776878 488421434 /nfs/dbraw/zinc/42/14/34/488421434.db2.gz MVNVSCXXPHEZFT-UHFFFAOYSA-N 1 2 374.405 0.153 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000246951838 488479026 /nfs/dbraw/zinc/47/90/26/488479026.db2.gz BJTNAEOAWGEKIV-DOTOQJQBSA-N 1 2 362.386 0.932 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000246951838 488479027 /nfs/dbraw/zinc/47/90/27/488479027.db2.gz BJTNAEOAWGEKIV-DOTOQJQBSA-N 1 2 362.386 0.932 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000272137543 488564458 /nfs/dbraw/zinc/56/44/58/488564458.db2.gz ULDMKRAOVZIFER-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000137040885 488679818 /nfs/dbraw/zinc/67/98/18/488679818.db2.gz OIFUTYLRTWWZKY-HNNXBMFYSA-N 1 2 369.385 0.888 10 5 FCBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000158729446 488780111 /nfs/dbraw/zinc/78/01/11/488780111.db2.gz HHNBHIVCLPJNBT-UHFFFAOYSA-N 1 2 363.823 0.937 10 5 FCBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158729446 488780112 /nfs/dbraw/zinc/78/01/12/488780112.db2.gz HHNBHIVCLPJNBT-UHFFFAOYSA-N 1 2 363.823 0.937 10 5 FCBELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170924830 488817989 /nfs/dbraw/zinc/81/79/89/488817989.db2.gz OYEFAXHCFBNRDU-CQSZACIVSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170924830 488817991 /nfs/dbraw/zinc/81/79/91/488817991.db2.gz OYEFAXHCFBNRDU-CQSZACIVSA-N 1 2 363.418 0.757 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000173539332 488843562 /nfs/dbraw/zinc/84/35/62/488843562.db2.gz QNKUKSXOQJLHGR-NSHDSACASA-N 1 2 361.445 0.999 10 5 FCBELO O=C1[C@H]([N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000370706110 489391448 /nfs/dbraw/zinc/39/14/48/489391448.db2.gz LIKABVRWWFCPHY-RBSFLKMASA-N 1 2 360.370 0.289 10 5 FCBELO O=C1[C@H]([N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000370706110 489391449 /nfs/dbraw/zinc/39/14/49/489391449.db2.gz LIKABVRWWFCPHY-RBSFLKMASA-N 1 2 360.370 0.289 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363154559 489430261 /nfs/dbraw/zinc/43/02/61/489430261.db2.gz SSSOKKULDISTCD-CYBMUJFWSA-N 1 2 363.418 0.676 10 5 FCBELO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363154559 489430262 /nfs/dbraw/zinc/43/02/62/489430262.db2.gz SSSOKKULDISTCD-CYBMUJFWSA-N 1 2 363.418 0.676 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363154817 489430368 /nfs/dbraw/zinc/43/03/68/489430368.db2.gz ZNMSLFNEZDVVES-ZDUSSCGKSA-N 1 2 363.418 0.676 10 5 FCBELO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363154817 489430369 /nfs/dbraw/zinc/43/03/69/489430369.db2.gz ZNMSLFNEZDVVES-ZDUSSCGKSA-N 1 2 363.418 0.676 10 5 FCBELO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371460398 489485027 /nfs/dbraw/zinc/48/50/27/489485027.db2.gz XYYZJPMKDFZIIV-VIFPVBQESA-N 1 2 369.337 0.588 10 5 FCBELO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371460398 489485028 /nfs/dbraw/zinc/48/50/28/489485028.db2.gz XYYZJPMKDFZIIV-VIFPVBQESA-N 1 2 369.337 0.588 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000452101404 489545653 /nfs/dbraw/zinc/54/56/53/489545653.db2.gz GLMVYVWNAXTEKC-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000452101404 489545656 /nfs/dbraw/zinc/54/56/56/489545656.db2.gz GLMVYVWNAXTEKC-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452104771 489546860 /nfs/dbraw/zinc/54/68/60/489546860.db2.gz KQGCBLKMFSRDTN-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452104771 489546862 /nfs/dbraw/zinc/54/68/62/489546862.db2.gz KQGCBLKMFSRDTN-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416669878 489625502 /nfs/dbraw/zinc/62/55/02/489625502.db2.gz SHDHEPOYIFHLGL-NWDGAFQWSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416669878 489625503 /nfs/dbraw/zinc/62/55/03/489625503.db2.gz SHDHEPOYIFHLGL-NWDGAFQWSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672615 489625915 /nfs/dbraw/zinc/62/59/15/489625915.db2.gz YXVIQKXWKJKZBP-QWHCGFSZSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672615 489625918 /nfs/dbraw/zinc/62/59/18/489625918.db2.gz YXVIQKXWKJKZBP-QWHCGFSZSA-N 1 2 357.432 0.979 10 5 FCBELO CS(=O)(=O)c1cc(C(=O)N2CC[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000372731370 489630785 /nfs/dbraw/zinc/63/07/85/489630785.db2.gz HWULMNUWKBWVIS-UHFFFAOYSA-N 1 2 353.400 0.919 10 5 FCBELO COC(=O)c1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428525165 489652245 /nfs/dbraw/zinc/65/22/45/489652245.db2.gz MGWRZFANRVEYEU-LLVKDONJSA-N 1 2 351.359 0.520 10 5 FCBELO COC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428525165 489652248 /nfs/dbraw/zinc/65/22/48/489652248.db2.gz MGWRZFANRVEYEU-LLVKDONJSA-N 1 2 351.359 0.520 10 5 FCBELO Cc1cc(C(=O)N2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)C2)[nH]n1 ZINC000459588238 489741726 /nfs/dbraw/zinc/74/17/26/489741726.db2.gz LGWMVCURYQWWEX-CYBMUJFWSA-N 1 2 374.401 0.635 10 5 FCBELO Cc1cc(C(=O)N2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)C2)[nH]n1 ZINC000459588238 489741729 /nfs/dbraw/zinc/74/17/29/489741729.db2.gz LGWMVCURYQWWEX-CYBMUJFWSA-N 1 2 374.401 0.635 10 5 FCBELO Cc1cc(C(=O)N2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)C2)n[nH]1 ZINC000459588238 489741731 /nfs/dbraw/zinc/74/17/31/489741731.db2.gz LGWMVCURYQWWEX-CYBMUJFWSA-N 1 2 374.401 0.635 10 5 FCBELO Cc1cc(C(=O)N2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)C2)n[nH]1 ZINC000459588238 489741732 /nfs/dbraw/zinc/74/17/32/489741732.db2.gz LGWMVCURYQWWEX-CYBMUJFWSA-N 1 2 374.401 0.635 10 5 FCBELO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000492657082 489833346 /nfs/dbraw/zinc/83/33/46/489833346.db2.gz MLSGFWOKMDHDEX-SNVBAGLBSA-N 1 2 371.353 0.717 10 5 FCBELO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000492657082 489833355 /nfs/dbraw/zinc/83/33/55/489833355.db2.gz MLSGFWOKMDHDEX-SNVBAGLBSA-N 1 2 371.353 0.717 10 5 FCBELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561955 489836885 /nfs/dbraw/zinc/83/68/85/489836885.db2.gz CWXVOGYYOSBGJQ-GFCCVEGCSA-N 1 2 351.359 0.857 10 5 FCBELO 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ZINC000524979495 490573126 /nfs/dbraw/zinc/57/31/26/490573126.db2.gz MESFEOYLIZLNKT-UHFFFAOYSA-N 1 2 373.373 0.514 10 5 FCBELO CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCS(=O)CC1 ZINC000502359928 490702555 /nfs/dbraw/zinc/70/25/55/490702555.db2.gz KCPBLNWOGUUTRL-UHFFFAOYSA-N 1 2 352.420 0.892 10 5 FCBELO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000515854301 490841273 /nfs/dbraw/zinc/84/12/73/490841273.db2.gz UPKVETZNPSWAQR-CYBMUJFWSA-N 1 2 353.375 0.369 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1=O ZINC000541227383 490855974 /nfs/dbraw/zinc/85/59/74/490855974.db2.gz BKZCNSYBVDSBHK-LBPRGKRZSA-N 1 2 360.374 0.588 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1=O ZINC000542119638 490886253 /nfs/dbraw/zinc/88/62/53/490886253.db2.gz HORXLGHNXRBFHS-LLVKDONJSA-N 1 2 370.373 0.974 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000590052812 491769193 /nfs/dbraw/zinc/76/91/93/491769193.db2.gz 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FCBELO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370849 491925150 /nfs/dbraw/zinc/92/51/50/491925150.db2.gz JYDLAXHUTXWAGG-DGCLKSJQSA-N 1 2 366.374 0.971 10 5 FCBELO COC(=O)CC[C@@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595482064 491935886 /nfs/dbraw/zinc/93/58/86/491935886.db2.gz SCWLTUMTOHOORK-LBPRGKRZSA-N 1 2 354.363 0.923 10 5 FCBELO O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1([NH+]2CCOCC2)CC1 ZINC000601625375 491939238 /nfs/dbraw/zinc/93/92/38/491939238.db2.gz QQDZSCIGODIXQK-UHFFFAOYSA-N 1 2 361.402 0.503 10 5 FCBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](CO)C[NH+]1CCOCC1 ZINC000597615533 492051637 /nfs/dbraw/zinc/05/16/37/492051637.db2.gz FCVHHNOHOXGXKW-JTQLQIEISA-N 1 2 359.329 0.225 10 5 FCBELO COC(=O)c1ccnc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000598595832 492106687 /nfs/dbraw/zinc/10/66/87/492106687.db2.gz WLVHPOMKMKKLTK-UHFFFAOYSA-N 1 2 360.374 0.832 10 5 FCBELO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1Cc2c[nH+]cn2C1 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CC(C)N(CCN(C)C(=O)CCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001739082081 1289798041 /nfs/dbraw/zinc/79/80/41/1289798041.db2.gz UDJGOHCAQPTPMF-ZIAGYGMSSA-N 1 2 351.407 0.634 10 5 FCBELO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628386345 1290529509 /nfs/dbraw/zinc/52/95/09/1290529509.db2.gz UGURLXCIHDKAHG-NSHDSACASA-N 1 2 354.794 0.857 10 5 FCBELO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628386345 1290529515 /nfs/dbraw/zinc/52/95/15/1290529515.db2.gz UGURLXCIHDKAHG-NSHDSACASA-N 1 2 354.794 0.857 10 5 FCBELO CC(C)(O)C[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001643253345 1290867627 /nfs/dbraw/zinc/86/76/27/1290867627.db2.gz GNRQWRVOUZIIBK-ZDUSSCGKSA-N 1 2 351.403 0.875 10 5 FCBELO COC(=O)/C(C)=C/C[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654007822 1291388344 /nfs/dbraw/zinc/38/83/44/1291388344.db2.gz FYFGYCOKHHAGOR-XYOKQWHBSA-N 1 2 371.415 0.924 10 5 FCBELO COC(=O)/C(C)=C/C[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654007822 1291388352 /nfs/dbraw/zinc/38/83/52/1291388352.db2.gz FYFGYCOKHHAGOR-XYOKQWHBSA-N 1 2 371.415 0.924 10 5 FCBELO COC(=O)[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001655430925 1291467444 /nfs/dbraw/zinc/46/74/44/1291467444.db2.gz IWDRZEJSTORSFX-BZNIZROVSA-N 1 2 351.359 0.840 10 5 FCBELO COC(=O)[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001655430925 1291467450 /nfs/dbraw/zinc/46/74/50/1291467450.db2.gz IWDRZEJSTORSFX-BZNIZROVSA-N 1 2 351.359 0.840 10 5 FCBELO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001655743235 1291483213 /nfs/dbraw/zinc/48/32/13/1291483213.db2.gz BHXWYVCOIHOQDZ-MNOVXSKESA-N 1 2 356.404 0.390 10 5 FCBELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001655743235 1291483218 /nfs/dbraw/zinc/48/32/18/1291483218.db2.gz BHXWYVCOIHOQDZ-MNOVXSKESA-N 1 2 356.404 0.390 10 5 FCBELO CC(=O)Nc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001668821742 1291975252 /nfs/dbraw/zinc/97/52/52/1291975252.db2.gz RDSIREFWTFKDLT-JGLYPNHGSA-N 1 2 353.404 0.529 10 5 FCBELO CC(C)(C)CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001677562506 1292238554 /nfs/dbraw/zinc/23/85/54/1292238554.db2.gz LCZNXBYQYIWUDX-HUUCEWRRSA-N 1 2 366.462 0.952 10 5 FCBELO CC(C)(C)CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001677562506 1292238560 /nfs/dbraw/zinc/23/85/60/1292238560.db2.gz LCZNXBYQYIWUDX-HUUCEWRRSA-N 1 2 366.462 0.952 10 5 FCBELO COC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001170351041 850650973 /nfs/dbraw/zinc/65/09/73/850650973.db2.gz GKFDQIJUCZVVCZ-MRXNPFEDSA-N 1 2 353.375 0.873 10 5 FCBELO COC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001170351041 850650977 /nfs/dbraw/zinc/65/09/77/850650977.db2.gz GKFDQIJUCZVVCZ-MRXNPFEDSA-N 1 2 353.375 0.873 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001171230553 850680427 /nfs/dbraw/zinc/68/04/27/850680427.db2.gz ONDYOUKTZIATJR-MJVIPROJSA-N 1 2 353.375 0.606 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001171230553 850680433 /nfs/dbraw/zinc/68/04/33/850680433.db2.gz ONDYOUKTZIATJR-MJVIPROJSA-N 1 2 353.375 0.606 10 5 FCBELO Cc1ncsc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265243302 859454772 /nfs/dbraw/zinc/45/47/72/859454772.db2.gz MVNIWWBUKPEJEA-ZIAGYGMSSA-N 1 2 367.475 0.741 10 5 FCBELO CN(CC[NH+]1CCN(CC(F)(F)C(F)F)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267607799 859509747 /nfs/dbraw/zinc/50/97/47/859509747.db2.gz VKIFQQUATLVEKN-GHMZBOCLSA-N 1 2 370.347 0.628 10 5 FCBELO O=C(NC/C=C\C[NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274014829 860660093 /nfs/dbraw/zinc/66/00/93/860660093.db2.gz DLYULHKYHJTZIO-JZIZGNRHSA-N 1 2 363.399 0.183 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280387019 863421073 /nfs/dbraw/zinc/42/10/73/863421073.db2.gz YIPJGWGEGTUJHF-DGCLKSJQSA-N 1 2 351.407 0.527 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)c2ccco2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001283816314 864524167 /nfs/dbraw/zinc/52/41/67/864524167.db2.gz JUVCRZFCHDIDBA-CHWSQXEVSA-N 1 2 350.375 0.209 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CCCCCCC1 ZINC001317448444 867532186 /nfs/dbraw/zinc/53/21/86/867532186.db2.gz UDKGGVKYLVNIPI-HUUCEWRRSA-N 1 2 354.451 0.929 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CCCCCCC1 ZINC001317448444 867532194 /nfs/dbraw/zinc/53/21/94/867532194.db2.gz UDKGGVKYLVNIPI-HUUCEWRRSA-N 1 2 354.451 0.929 10 5 FCBELO COCC[N@H+](Cc1cnon1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323746652 869337983 /nfs/dbraw/zinc/33/79/83/869337983.db2.gz RUELGZUDFJUXRN-ZIAGYGMSSA-N 1 2 353.379 0.174 10 5 FCBELO COCC[N@@H+](Cc1cnon1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323746652 869337990 /nfs/dbraw/zinc/33/79/90/869337990.db2.gz RUELGZUDFJUXRN-ZIAGYGMSSA-N 1 2 353.379 0.174 10 5 FCBELO CC(C)N(CC[N@H+](C)CC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001332708362 873623932 /nfs/dbraw/zinc/62/39/32/873623932.db2.gz YEKOYQLKJYEJKV-HUUCEWRRSA-N 1 2 354.451 0.833 10 5 FCBELO CC(C)N(CC[N@@H+](C)CC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001332708362 873623939 /nfs/dbraw/zinc/62/39/39/873623939.db2.gz YEKOYQLKJYEJKV-HUUCEWRRSA-N 1 2 354.451 0.833 10 5 FCBELO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295457672 214299343 /nfs/dbraw/zinc/29/93/43/214299343.db2.gz PZAKXDDPSILMOZ-VBQJREDUSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295457672 214299347 /nfs/dbraw/zinc/29/93/47/214299347.db2.gz PZAKXDDPSILMOZ-VBQJREDUSA-N 1 2 351.403 0.739 10 5 FCBELO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1 ZINC000265399751 210123194 /nfs/dbraw/zinc/12/31/94/210123194.db2.gz XVBQWHICXWPGAI-NEPJUHHUSA-N 1 2 361.445 0.244 10 5 FCBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285177637 213297643 /nfs/dbraw/zinc/29/76/43/213297643.db2.gz VKWMFSAZQJGTED-RMLUDKJBSA-N 1 2 356.766 0.497 10 5 FCBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285177637 213297645 /nfs/dbraw/zinc/29/76/45/213297645.db2.gz VKWMFSAZQJGTED-RMLUDKJBSA-N 1 2 356.766 0.497 10 5 FCBELO Cn1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1N ZINC000284229690 213101695 /nfs/dbraw/zinc/10/16/95/213101695.db2.gz KDYSYAMHNSQDHW-OCCSQVGLSA-N 1 2 362.390 0.882 10 5 FCBELO Cn1nc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1N ZINC000284229690 213101697 /nfs/dbraw/zinc/10/16/97/213101697.db2.gz KDYSYAMHNSQDHW-OCCSQVGLSA-N 1 2 362.390 0.882 10 5 FCBELO 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QRBGHZQKIONQRA-UHFFFAOYSA-N 1 2 356.404 0.143 10 5 FCBELO O=C(NC1CC([NH+]2CCOCC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600068936 492241266 /nfs/dbraw/zinc/24/12/66/492241266.db2.gz NJBDCYDPMAGTBL-UHFFFAOYSA-N 1 2 372.385 0.769 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420206 492268617 /nfs/dbraw/zinc/26/86/17/492268617.db2.gz KBBPZKWEFTZSPU-NEPJUHHUSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600420206 492268618 /nfs/dbraw/zinc/26/86/18/492268618.db2.gz KBBPZKWEFTZSPU-NEPJUHHUSA-N 1 2 366.374 0.239 10 5 FCBELO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600418447 492268666 /nfs/dbraw/zinc/26/86/66/492268666.db2.gz CWRKQTOLVRMVAU-GFCCVEGCSA-N 1 2 355.416 0.740 10 5 FCBELO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600418447 492268667 /nfs/dbraw/zinc/26/86/67/492268667.db2.gz CWRKQTOLVRMVAU-GFCCVEGCSA-N 1 2 355.416 0.740 10 5 FCBELO C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000611397565 492287563 /nfs/dbraw/zinc/28/75/63/492287563.db2.gz UNGNZVQYAPANNS-AWEZNQCLSA-N 1 2 366.418 0.992 10 5 FCBELO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593531052 546970705 /nfs/dbraw/zinc/97/07/05/546970705.db2.gz MCOHEAHSYLQOFT-CYBMUJFWSA-N 1 2 358.420 0.625 10 5 FCBELO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593531052 546970710 /nfs/dbraw/zinc/97/07/10/546970710.db2.gz MCOHEAHSYLQOFT-CYBMUJFWSA-N 1 2 358.420 0.625 10 5 FCBELO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594742112 547004119 /nfs/dbraw/zinc/00/41/19/547004119.db2.gz JIQFWVIHVVNURH-TXEJJXNPSA-N 1 2 358.420 0.767 10 5 FCBELO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594742112 547004122 /nfs/dbraw/zinc/00/41/22/547004122.db2.gz JIQFWVIHVVNURH-TXEJJXNPSA-N 1 2 358.420 0.767 10 5 FCBELO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594745309 547004139 /nfs/dbraw/zinc/00/41/39/547004139.db2.gz FHHBKKXKIYUJAU-GFCCVEGCSA-N 1 2 358.420 0.625 10 5 FCBELO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594745309 547004141 /nfs/dbraw/zinc/00/41/41/547004141.db2.gz FHHBKKXKIYUJAU-GFCCVEGCSA-N 1 2 358.420 0.625 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000594764795 547006883 /nfs/dbraw/zinc/00/68/83/547006883.db2.gz SHKJNTJULYNECW-CHWSQXEVSA-N 1 2 370.431 0.912 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917046019 667045583 /nfs/dbraw/zinc/04/55/83/667045583.db2.gz SIDJPFWMLLHDSQ-ZDUSSCGKSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917046019 667045584 /nfs/dbraw/zinc/04/55/84/667045584.db2.gz SIDJPFWMLLHDSQ-ZDUSSCGKSA-N 1 2 354.432 0.571 10 5 FCBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917051565 667048181 /nfs/dbraw/zinc/04/81/81/667048181.db2.gz 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COc1coc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1=O ZINC001486368246 1263536726 /nfs/dbraw/zinc/53/67/26/1263536726.db2.gz LJVWFOJGWKOQEF-ZIAGYGMSSA-N 1 2 367.402 0.982 10 5 FCBELO CCn1ncc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001495517407 1263822336 /nfs/dbraw/zinc/82/23/36/1263822336.db2.gz LNKWMJGWJHXOLX-HUUCEWRRSA-N 1 2 350.423 0.682 10 5 FCBELO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1occc1C[NH+](C)C ZINC001501146508 1264104090 /nfs/dbraw/zinc/10/40/90/1264104090.db2.gz OZPSYDVQQCRKHA-CHWSQXEVSA-N 1 2 352.391 0.537 10 5 FCBELO O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC001501852363 1264145616 /nfs/dbraw/zinc/14/56/16/1264145616.db2.gz PRGRDISYSPTHJL-AYYPDYFKSA-N 1 2 369.381 0.940 10 5 FCBELO CC/C(C)=C/C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001524059729 1266681059 /nfs/dbraw/zinc/68/10/59/1266681059.db2.gz NPPTVQOUZAAKKT-MLOLEURXSA-N 1 2 352.435 0.658 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)c2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001524059363 1266681417 /nfs/dbraw/zinc/68/14/17/1266681417.db2.gz IPMCJJMNLMIVBO-UKRRQHHQSA-N 1 2 361.402 0.011 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001546259387 1267642936 /nfs/dbraw/zinc/64/29/36/1267642936.db2.gz PXTCXYPNAQSSDP-SNVBAGLBSA-N 1 2 351.363 0.281 10 5 FCBELO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001546259387 1267642946 /nfs/dbraw/zinc/64/29/46/1267642946.db2.gz PXTCXYPNAQSSDP-SNVBAGLBSA-N 1 2 351.363 0.281 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001556137186 1268818444 /nfs/dbraw/zinc/81/84/44/1268818444.db2.gz HVSUZJCRRBWZMJ-UHFFFAOYSA-N 1 2 352.372 0.759 10 5 FCBELO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001565338110 1269464276 /nfs/dbraw/zinc/46/42/76/1269464276.db2.gz PQNHPMJSLUQKCX-CJNGLKHVSA-N 1 2 366.418 0.990 10 5 FCBELO Cc1nc(N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC001342466264 1269481938 /nfs/dbraw/zinc/48/19/38/1269481938.db2.gz QKGANJJUPXCFHP-UHFFFAOYSA-N 1 2 358.358 0.204 10 5 FCBELO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001567848321 1269710028 /nfs/dbraw/zinc/71/00/28/1269710028.db2.gz KANYNQNSXQRHCS-LBPRGKRZSA-N 1 2 365.386 0.895 10 5 FCBELO CCN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001713451905 1287279175 /nfs/dbraw/zinc/27/91/75/1287279175.db2.gz ZFWMKCFZPZKDIU-HUUCEWRRSA-N 1 2 354.451 0.881 10 5 FCBELO CCN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001713451905 1287279178 /nfs/dbraw/zinc/27/91/78/1287279178.db2.gz ZFWMKCFZPZKDIU-HUUCEWRRSA-N 1 2 354.451 0.881 10 5 FCBELO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1cccs1 ZINC001714166354 1287314794 /nfs/dbraw/zinc/31/47/94/1287314794.db2.gz UXCXYGQTHHJRNT-VVSAWPALSA-N 1 2 364.427 0.076 10 5 FCBELO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1cccs1 ZINC001714166354 1287314795 /nfs/dbraw/zinc/31/47/95/1287314795.db2.gz UXCXYGQTHHJRNT-VVSAWPALSA-N 1 2 364.427 0.076 10 5 FCBELO Cc1c(-c2cc(C[N@H+](C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cnn1C ZINC001714537596 1287324908 /nfs/dbraw/zinc/32/49/08/1287324908.db2.gz WPNGUDXRRSGLIA-IUODEOHRSA-N 1 2 362.390 0.597 10 5 FCBELO Cc1c(-c2cc(C[N@@H+](C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cnn1C ZINC001714537596 1287324913 /nfs/dbraw/zinc/32/49/13/1287324913.db2.gz WPNGUDXRRSGLIA-IUODEOHRSA-N 1 2 362.390 0.597 10 5 FCBELO O=C(NC/C=C\C[NH2+]Cc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716292261 1287375387 /nfs/dbraw/zinc/37/53/87/1287375387.db2.gz GOXYNRBVCOZSDM-KSLSASGISA-N 1 2 356.386 0.695 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382705 1282401927 /nfs/dbraw/zinc/40/19/27/1282401927.db2.gz BWKADHVJRDFMBN-HZPDHXFCSA-N 1 2 360.414 0.979 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382705 1282401941 /nfs/dbraw/zinc/40/19/41/1282401941.db2.gz BWKADHVJRDFMBN-HZPDHXFCSA-N 1 2 360.414 0.979 10 5 FCBELO COC(=O)[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001636664185 1282528023 /nfs/dbraw/zinc/52/80/23/1282528023.db2.gz CNIGVIFSYFUDBN-MRXNPFEDSA-N 1 2 360.326 0.531 10 5 FCBELO Cn1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001639830537 1282818986 /nfs/dbraw/zinc/81/89/86/1282818986.db2.gz OYGWEWXXJOOJOL-UHFFFAOYSA-N 1 2 369.341 0.883 10 5 FCBELO CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)CCn1cc[nH+]c1 ZINC001704492122 1286258967 /nfs/dbraw/zinc/25/89/67/1286258967.db2.gz YNSNNWUBISQPHA-HUUCEWRRSA-N 1 2 363.418 0.635 10 5 FCBELO CC1(CC(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001720673802 1288250060 /nfs/dbraw/zinc/25/00/60/1288250060.db2.gz BTWGSDCFALIVAG-ZIAGYGMSSA-N 1 2 352.435 0.492 10 5 FCBELO CCn1nnc(C)c1C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001700971421 1289624222 /nfs/dbraw/zinc/62/42/22/1289624222.db2.gz YYWGIJTZWFOWKI-ZIAGYGMSSA-N 1 2 352.439 0.940 10 5 FCBELO CCn1nnc(C)c1C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001700971421 1289624237 /nfs/dbraw/zinc/62/42/37/1289624237.db2.gz YYWGIJTZWFOWKI-ZIAGYGMSSA-N 1 2 352.439 0.940 10 5 FCBELO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](CO)C1 ZINC001647905652 1291083011 /nfs/dbraw/zinc/08/30/11/1291083011.db2.gz JYIZCYOWROIHDH-GFCCVEGCSA-N 1 2 360.370 0.657 10 5 FCBELO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](CO)C1 ZINC001647905652 1291083017 /nfs/dbraw/zinc/08/30/17/1291083017.db2.gz JYIZCYOWROIHDH-GFCCVEGCSA-N 1 2 360.370 0.657 10 5 FCBELO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CS(N)(=O)=O ZINC001654945439 1291446678 /nfs/dbraw/zinc/44/66/78/1291446678.db2.gz YNLGROQIESIZKV-ZJUUUORDSA-N 1 2 353.404 0.828 10 5 FCBELO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CS(N)(=O)=O ZINC001654945439 1291446684 /nfs/dbraw/zinc/44/66/84/1291446684.db2.gz YNLGROQIESIZKV-ZJUUUORDSA-N 1 2 353.404 0.828 10 5 FCBELO CCn1ccc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001664766527 1291811863 /nfs/dbraw/zinc/81/18/63/1291811863.db2.gz JMIHDQJHUPJPKE-HZPDHXFCSA-N 1 2 364.450 0.144 10 5 FCBELO Cn1c[nH+]cc1CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001675415260 1292175998 /nfs/dbraw/zinc/17/59/98/1292175998.db2.gz DHWCFMOVWFSOQB-UHFFFAOYSA-N 1 2 372.385 0.996 10 5 FCBELO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000751416389 836486442 /nfs/dbraw/zinc/48/64/42/836486442.db2.gz AYJRLJQSKDBPLG-AWEZNQCLSA-N 1 2 355.416 0.672 10 5 FCBELO CN(C)c1cc(F)c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001168350676 850584177 /nfs/dbraw/zinc/58/41/77/850584177.db2.gz UXVUYSAGNZLMEL-NSHDSACASA-N 1 2 351.338 0.997 10 5 FCBELO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175956231 850778517 /nfs/dbraw/zinc/77/85/17/850778517.db2.gz RJKVJLVMERXPPO-JTQLQIEISA-N 1 2 358.376 0.874 10 5 FCBELO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001175956231 850778525 /nfs/dbraw/zinc/77/85/25/850778525.db2.gz RJKVJLVMERXPPO-JTQLQIEISA-N 1 2 358.376 0.874 10 5 FCBELO CCOC(=O)C1([S@@](C)=O)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001194426095 852596160 /nfs/dbraw/zinc/59/61/60/852596160.db2.gz IXFRZXUUDWLEBI-XMMPIXPASA-N 1 2 358.420 0.568 10 5 FCBELO O=C(C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)N1CCCCCC1 ZINC001266592243 859484664 /nfs/dbraw/zinc/48/46/64/859484664.db2.gz MASNWTPUADASAF-HUUCEWRRSA-N 1 2 352.435 0.635 10 5 FCBELO O=C(C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)N1CCCCCC1 ZINC001266592243 859484669 /nfs/dbraw/zinc/48/46/69/859484669.db2.gz MASNWTPUADASAF-HUUCEWRRSA-N 1 2 352.435 0.635 10 5 FCBELO CN(CC[NH2+]Cc1csc(-c2ncccn2)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371928 859505931 /nfs/dbraw/zinc/50/59/31/859505931.db2.gz ZWJZMFIHOMNQMJ-VXGBXAGGSA-N 1 2 362.415 0.813 10 5 FCBELO Cc1ncc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001274910541 860870097 /nfs/dbraw/zinc/87/00/97/860870097.db2.gz NQNZVHAOYCAQFD-CHWSQXEVSA-N 1 2 354.432 0.560 10 5 FCBELO Cc1nc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001281810138 863761223 /nfs/dbraw/zinc/76/12/23/863761223.db2.gz PLEKYYUTOMZSJQ-CHWSQXEVSA-N 1 2 352.391 0.400 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001302303865 866319842 /nfs/dbraw/zinc/31/98/42/866319842.db2.gz NGMZSZIISHSPAZ-BDJLRTHQSA-N 1 2 351.359 0.357 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001302303865 866319859 /nfs/dbraw/zinc/31/98/59/866319859.db2.gz NGMZSZIISHSPAZ-BDJLRTHQSA-N 1 2 351.359 0.357 10 5 FCBELO CS(=O)(=O)N1CC(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000930681591 674048832 /nfs/dbraw/zinc/04/88/32/674048832.db2.gz XZJFEZJOLSLPJR-UHFFFAOYSA-N 1 2 355.420 0.003 10 5 FCBELO CN1CCO[C@H]2CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867294 213237790 /nfs/dbraw/zinc/23/77/90/213237790.db2.gz SJFXUABPSMJXAX-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO CN1CCO[C@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867294 213237794 /nfs/dbraw/zinc/23/77/94/213237794.db2.gz SJFXUABPSMJXAX-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867294 213237797 /nfs/dbraw/zinc/23/77/97/213237797.db2.gz SJFXUABPSMJXAX-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO C[N@H+]1CCO[C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000284867294 213237800 /nfs/dbraw/zinc/23/78/00/213237800.db2.gz SJFXUABPSMJXAX-SJORKVTESA-N 1 2 360.414 0.889 10 5 FCBELO CN1CCO[C@H]2CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000284711992 213203716 /nfs/dbraw/zinc/20/37/16/213203716.db2.gz JCKXRCYAINRAFJ-IRXDYDNUSA-N 1 2 360.414 0.889 10 5 FCBELO CN1CCO[C@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000284711992 213203720 /nfs/dbraw/zinc/20/37/20/213203720.db2.gz JCKXRCYAINRAFJ-IRXDYDNUSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000284711992 213203721 /nfs/dbraw/zinc/20/37/21/213203721.db2.gz JCKXRCYAINRAFJ-IRXDYDNUSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@H+]1CCO[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000284711992 213203724 /nfs/dbraw/zinc/20/37/24/213203724.db2.gz JCKXRCYAINRAFJ-IRXDYDNUSA-N 1 2 360.414 0.889 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184598892 209165587 /nfs/dbraw/zinc/16/55/87/209165587.db2.gz CMKSOSBAXKTLTN-CQSZACIVSA-N 1 2 357.432 0.813 10 5 FCBELO CC[C@H](O)C[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181922780 209123828 /nfs/dbraw/zinc/12/38/28/209123828.db2.gz DGPUPXCSXPIRHS-HNNXBMFYSA-N 1 2 371.459 0.757 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440635708 248200161 /nfs/dbraw/zinc/20/01/61/248200161.db2.gz DIFNTAKJQGJEPW-LBPRGKRZSA-N 1 2 356.404 0.595 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440635708 248200163 /nfs/dbraw/zinc/20/01/63/248200163.db2.gz DIFNTAKJQGJEPW-LBPRGKRZSA-N 1 2 356.404 0.595 10 5 FCBELO COc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])cc1OC ZINC000090698703 208133627 /nfs/dbraw/zinc/13/36/27/208133627.db2.gz VGOAHGDEIBGWGS-LLVKDONJSA-N 1 2 350.375 0.342 10 5 FCBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279106991 488917231 /nfs/dbraw/zinc/91/72/31/488917231.db2.gz RTVLNESAKIPDRB-QFYYESIMSA-N 1 2 361.358 0.596 10 5 FCBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279106991 488917233 /nfs/dbraw/zinc/91/72/33/488917233.db2.gz RTVLNESAKIPDRB-QFYYESIMSA-N 1 2 361.358 0.596 10 5 FCBELO COCCNc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000022690107 487623170 /nfs/dbraw/zinc/62/31/70/487623170.db2.gz JGKVUEYQKTVJTC-UHFFFAOYSA-N 1 2 352.391 0.715 10 5 FCBELO COc1cc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)ncn1 ZINC000184061514 488394801 /nfs/dbraw/zinc/39/48/01/488394801.db2.gz YSDRQMCPVNVULM-UHFFFAOYSA-N 1 2 360.374 0.377 10 5 FCBELO CNC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000268514423 488426567 /nfs/dbraw/zinc/42/65/67/488426567.db2.gz XSCCIXIISXRVMH-UHFFFAOYSA-N 1 2 350.375 0.558 10 5 FCBELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000122360922 488577619 /nfs/dbraw/zinc/57/76/19/488577619.db2.gz SZIPNBOVWDJDPK-GHMZBOCLSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000122360922 488577621 /nfs/dbraw/zinc/57/76/21/488577621.db2.gz SZIPNBOVWDJDPK-GHMZBOCLSA-N 1 2 361.395 0.810 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000123304730 488584238 /nfs/dbraw/zinc/58/42/38/488584238.db2.gz DYSHEBOTPMFFNH-ZDUSSCGKSA-N 1 2 357.432 0.980 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000154073527 488738326 /nfs/dbraw/zinc/73/83/26/488738326.db2.gz WMTUARNPFUZXIN-OAHLLOKOSA-N 1 2 355.416 0.877 10 5 FCBELO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000154073527 488738328 /nfs/dbraw/zinc/73/83/28/488738328.db2.gz WMTUARNPFUZXIN-OAHLLOKOSA-N 1 2 355.416 0.877 10 5 FCBELO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000154207273 488739510 /nfs/dbraw/zinc/73/95/10/488739510.db2.gz UGHKXNMRPRJGEB-ZDUSSCGKSA-N 1 2 357.432 0.983 10 5 FCBELO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181755974 488863729 /nfs/dbraw/zinc/86/37/29/488863729.db2.gz GSTREGLLIFXANG-NEPJUHHUSA-N 1 2 355.416 0.954 10 5 FCBELO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181755974 488863730 /nfs/dbraw/zinc/86/37/30/488863730.db2.gz GSTREGLLIFXANG-NEPJUHHUSA-N 1 2 355.416 0.954 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363154816 489430065 /nfs/dbraw/zinc/43/00/65/489430065.db2.gz ZNMSLFNEZDVVES-CYBMUJFWSA-N 1 2 363.418 0.676 10 5 FCBELO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363154816 489430069 /nfs/dbraw/zinc/43/00/69/489430069.db2.gz ZNMSLFNEZDVVES-CYBMUJFWSA-N 1 2 363.418 0.676 10 5 FCBELO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451670120 489516736 /nfs/dbraw/zinc/51/67/36/489516736.db2.gz OGNBVWLMTGVPBR-LLVKDONJSA-N 1 2 361.395 0.859 10 5 FCBELO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451670120 489516738 /nfs/dbraw/zinc/51/67/38/489516738.db2.gz OGNBVWLMTGVPBR-LLVKDONJSA-N 1 2 361.395 0.859 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451891833 489529140 /nfs/dbraw/zinc/52/91/40/489529140.db2.gz PHOBPJYVJWUKOZ-TXEJJXNPSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451891833 489529142 /nfs/dbraw/zinc/52/91/42/489529142.db2.gz PHOBPJYVJWUKOZ-TXEJJXNPSA-N 1 2 373.431 0.679 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000427405750 489606786 /nfs/dbraw/zinc/60/67/86/489606786.db2.gz NMYCLKSDMLEOGP-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000427405750 489606788 /nfs/dbraw/zinc/60/67/88/489606788.db2.gz NMYCLKSDMLEOGP-SNVBAGLBSA-N 1 2 370.793 0.712 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416655814 489622335 /nfs/dbraw/zinc/62/23/35/489622335.db2.gz DORCGKPZYAWVQY-CHWSQXEVSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416655814 489622336 /nfs/dbraw/zinc/62/23/36/489622336.db2.gz DORCGKPZYAWVQY-CHWSQXEVSA-N 1 2 357.432 0.812 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000416667250 489624796 /nfs/dbraw/zinc/62/47/96/489624796.db2.gz PPGYLUUJQCWRFY-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000416667250 489624798 /nfs/dbraw/zinc/62/47/98/489624798.db2.gz PPGYLUUJQCWRFY-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416672685 489626106 /nfs/dbraw/zinc/62/61/06/489626106.db2.gz ZDKPTTZRMVAYSB-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416672685 489626108 /nfs/dbraw/zinc/62/61/08/489626108.db2.gz ZDKPTTZRMVAYSB-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO Cc1c(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457117149 489636601 /nfs/dbraw/zinc/63/66/01/489636601.db2.gz JIRRNKOZOYQLPQ-LBPRGKRZSA-N 1 2 374.401 0.623 10 5 FCBELO Cc1c(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457117149 489636605 /nfs/dbraw/zinc/63/66/05/489636605.db2.gz JIRRNKOZOYQLPQ-LBPRGKRZSA-N 1 2 374.401 0.623 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1CCO ZINC000428520013 489652139 /nfs/dbraw/zinc/65/21/39/489652139.db2.gz FOMLZZJCIYNXLB-LLVKDONJSA-N 1 2 351.359 0.505 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1CCO ZINC000428520013 489652140 /nfs/dbraw/zinc/65/21/40/489652140.db2.gz FOMLZZJCIYNXLB-LLVKDONJSA-N 1 2 351.359 0.505 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459642188 489743720 /nfs/dbraw/zinc/74/37/20/489743720.db2.gz GODCUMHGNXXZLE-BZNIZROVSA-N 1 2 353.375 0.750 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459642188 489743724 /nfs/dbraw/zinc/74/37/24/489743724.db2.gz GODCUMHGNXXZLE-BZNIZROVSA-N 1 2 353.375 0.750 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000419007706 489816192 /nfs/dbraw/zinc/81/61/92/489816192.db2.gz RVSJVMGUPVMILK-NWDGAFQWSA-N 1 2 357.432 0.890 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000419007706 489816197 /nfs/dbraw/zinc/81/61/97/489816197.db2.gz RVSJVMGUPVMILK-NWDGAFQWSA-N 1 2 357.432 0.890 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000494345677 489884383 /nfs/dbraw/zinc/88/43/83/489884383.db2.gz GNXPBZUNEWQTBN-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000494345677 489884388 /nfs/dbraw/zinc/88/43/88/489884388.db2.gz GNXPBZUNEWQTBN-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000378389678 490059210 /nfs/dbraw/zinc/05/92/10/490059210.db2.gz SKVPGIOPWFLKNZ-LSDHHAIUSA-N 1 2 364.406 0.576 10 5 FCBELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000378389678 490059212 /nfs/dbraw/zinc/05/92/12/490059212.db2.gz SKVPGIOPWFLKNZ-LSDHHAIUSA-N 1 2 364.406 0.576 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000378489151 490072259 /nfs/dbraw/zinc/07/22/59/490072259.db2.gz CGMAKELKUQBUFY-UHFFFAOYSA-N 1 2 370.356 0.967 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000378489151 490072261 /nfs/dbraw/zinc/07/22/61/490072261.db2.gz CGMAKELKUQBUFY-UHFFFAOYSA-N 1 2 370.356 0.967 10 5 FCBELO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408016275 490209526 /nfs/dbraw/zinc/20/95/26/490209526.db2.gz JCYJZOLHYQXTMU-LSDHHAIUSA-N 1 2 355.416 0.830 10 5 FCBELO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408016275 490209535 /nfs/dbraw/zinc/20/95/35/490209535.db2.gz JCYJZOLHYQXTMU-LSDHHAIUSA-N 1 2 355.416 0.830 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1=O ZINC000542157133 490888019 /nfs/dbraw/zinc/88/80/19/490888019.db2.gz UHWJTWULQNBENR-CYBMUJFWSA-N 1 2 358.358 0.644 10 5 FCBELO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1cc[nH+]c1 ZINC000575038092 491535320 /nfs/dbraw/zinc/53/53/20/491535320.db2.gz QTYCEDCOFYJCIC-UHFFFAOYSA-N 1 2 367.387 0.228 10 5 FCBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000589104246 491755832 /nfs/dbraw/zinc/75/58/32/491755832.db2.gz UFOONASTNVGIMP-UHFFFAOYSA-N 1 2 364.402 0.584 10 5 FCBELO COC(=O)[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000600541927 491867581 /nfs/dbraw/zinc/86/75/81/491867581.db2.gz XWURDQMGPZQOTJ-XJKSGUPXSA-N 1 2 351.359 0.430 10 5 FCBELO COC(=O)[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000600541927 491867583 /nfs/dbraw/zinc/86/75/83/491867583.db2.gz XWURDQMGPZQOTJ-XJKSGUPXSA-N 1 2 351.359 0.430 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600680102 491875174 /nfs/dbraw/zinc/87/51/74/491875174.db2.gz CWJSJBYWDKHOOL-ZDUSSCGKSA-N 1 2 374.401 0.906 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600680102 491875178 /nfs/dbraw/zinc/87/51/78/491875178.db2.gz CWJSJBYWDKHOOL-ZDUSSCGKSA-N 1 2 374.401 0.906 10 5 FCBELO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000595896935 491959840 /nfs/dbraw/zinc/95/98/40/491959840.db2.gz ZYKYNWDUCKUSHF-CYBMUJFWSA-N 1 2 370.406 0.633 10 5 FCBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599194391 492140890 /nfs/dbraw/zinc/14/08/90/492140890.db2.gz LLUMYYHYPDQAGP-INIZCTEOSA-N 1 2 363.418 0.757 10 5 FCBELO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599194391 492140892 /nfs/dbraw/zinc/14/08/92/492140892.db2.gz LLUMYYHYPDQAGP-INIZCTEOSA-N 1 2 363.418 0.757 10 5 FCBELO COC(=O)c1cnc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000599259025 492150174 /nfs/dbraw/zinc/15/01/74/492150174.db2.gz JIZORONKTPEFLP-UHFFFAOYSA-N 1 2 358.358 0.889 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000599349337 492163569 /nfs/dbraw/zinc/16/35/69/492163569.db2.gz NNKOKJGUGNFMSJ-ZDUSSCGKSA-N 1 2 365.415 0.881 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000599349337 492163571 /nfs/dbraw/zinc/16/35/71/492163571.db2.gz NNKOKJGUGNFMSJ-ZDUSSCGKSA-N 1 2 365.415 0.881 10 5 FCBELO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599539781 492184971 /nfs/dbraw/zinc/18/49/71/492184971.db2.gz NOGCIGJUMBWEEE-CQSZACIVSA-N 1 2 365.390 0.553 10 5 FCBELO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599539781 492184972 /nfs/dbraw/zinc/18/49/72/492184972.db2.gz NOGCIGJUMBWEEE-CQSZACIVSA-N 1 2 365.390 0.553 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000599563727 492187781 /nfs/dbraw/zinc/18/77/81/492187781.db2.gz CRJZWJMPOWZYFN-MRXNPFEDSA-N 1 2 367.358 0.806 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000599563727 492187782 /nfs/dbraw/zinc/18/77/82/492187782.db2.gz CRJZWJMPOWZYFN-MRXNPFEDSA-N 1 2 367.358 0.806 10 5 FCBELO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000599598082 492191900 /nfs/dbraw/zinc/19/19/00/492191900.db2.gz NVPAXCSYPBDGHN-KYOSRNDESA-N 1 2 354.359 0.597 10 5 FCBELO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000599598082 492191903 /nfs/dbraw/zinc/19/19/03/492191903.db2.gz NVPAXCSYPBDGHN-KYOSRNDESA-N 1 2 354.359 0.597 10 5 FCBELO COC(=O)[C@@](C)(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599644188 492196196 /nfs/dbraw/zinc/19/61/96/492196196.db2.gz TZACLARUNPWLAD-WBVHZDCISA-N 1 2 367.402 0.266 10 5 FCBELO Cc1c(C(=O)NC[C@H]2COCC[N@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000600419417 492268609 /nfs/dbraw/zinc/26/86/09/492268609.db2.gz HNIPWDFTKFFKKT-AWEZNQCLSA-N 1 2 360.374 0.544 10 5 FCBELO Cc1c(C(=O)NC[C@H]2COCC[N@@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000600419417 492268610 /nfs/dbraw/zinc/26/86/10/492268610.db2.gz HNIPWDFTKFFKKT-AWEZNQCLSA-N 1 2 360.374 0.544 10 5 FCBELO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000425297001 534358420 /nfs/dbraw/zinc/35/84/20/534358420.db2.gz UIJRRGRMTVZWGO-CQSZACIVSA-N 1 2 351.403 0.682 10 5 FCBELO COC(=O)c1ccc(S(=O)(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000568973834 546843736 /nfs/dbraw/zinc/84/37/36/546843736.db2.gz QELQSKUHLQREAC-UHFFFAOYSA-N 1 2 368.371 0.636 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1 ZINC000592531185 546953684 /nfs/dbraw/zinc/95/36/84/546953684.db2.gz SUXBSXIVFRSUMW-OLZOCXBDSA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1 ZINC000592531185 546953687 /nfs/dbraw/zinc/95/36/87/546953687.db2.gz SUXBSXIVFRSUMW-OLZOCXBDSA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594762006 547006593 /nfs/dbraw/zinc/00/65/93/547006593.db2.gz TVBULRKCKLQVNW-NSHDSACASA-N 1 2 372.403 0.248 10 5 FCBELO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594784750 547010457 /nfs/dbraw/zinc/01/04/57/547010457.db2.gz BGWKHAGPCIDUFJ-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917043209 667045406 /nfs/dbraw/zinc/04/54/06/667045406.db2.gz FCOVJKRXPBBYPN-LBPRGKRZSA-N 1 2 374.850 0.916 10 5 FCBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917043209 667045411 /nfs/dbraw/zinc/04/54/11/667045411.db2.gz FCOVJKRXPBBYPN-LBPRGKRZSA-N 1 2 374.850 0.916 10 5 FCBELO COC(CC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000851715621 671462846 /nfs/dbraw/zinc/46/28/46/671462846.db2.gz ZRVCFWHEFFQXEV-UHFFFAOYSA-N 1 2 373.431 0.910 10 5 FCBELO O=C(CCCn1cc[nH+]c1)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001687316408 1170281491 /nfs/dbraw/zinc/28/14/91/1170281491.db2.gz RSCUKAMMNHVODF-HUUCEWRRSA-N 1 2 363.418 0.683 10 5 FCBELO CC(C)n1nccc1NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237249 1186644443 /nfs/dbraw/zinc/64/44/43/1186644443.db2.gz FKWPFWGYDAZPLW-CHWSQXEVSA-N 1 2 366.422 0.458 10 5 FCBELO CC(C)n1nccc1NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237249 1186644449 /nfs/dbraw/zinc/64/44/49/1186644449.db2.gz FKWPFWGYDAZPLW-CHWSQXEVSA-N 1 2 366.422 0.458 10 5 FCBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853522949 1209595812 /nfs/dbraw/zinc/59/58/12/1209595812.db2.gz RNOXECRNKURROU-LLVKDONJSA-N 1 2 356.342 0.762 10 5 FCBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853522949 1209595816 /nfs/dbraw/zinc/59/58/16/1209595816.db2.gz RNOXECRNKURROU-LLVKDONJSA-N 1 2 356.342 0.762 10 5 FCBELO O=C1OC[C@H]2C[N@@H+](CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000863338386 1209939596 /nfs/dbraw/zinc/93/95/96/1209939596.db2.gz KHFJJAHQVKQRRJ-ZWNOBZJWSA-N 1 2 360.326 0.426 10 5 FCBELO O=C1OC[C@H]2C[N@H+](CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000863338386 1209939598 /nfs/dbraw/zinc/93/95/98/1209939598.db2.gz KHFJJAHQVKQRRJ-ZWNOBZJWSA-N 1 2 360.326 0.426 10 5 FCBELO CN1CC[N@H+](C)[C@H](CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863504525 1209944040 /nfs/dbraw/zinc/94/40/40/1209944040.db2.gz QOOQSOCYUCFXRP-WMLDXEAASA-N 1 2 361.402 0.608 10 5 FCBELO CN1CC[N@@H+](C)[C@H](CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863504525 1209944043 /nfs/dbraw/zinc/94/40/43/1209944043.db2.gz QOOQSOCYUCFXRP-WMLDXEAASA-N 1 2 361.402 0.608 10 5 FCBELO CC(C)CCOCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001274467916 1211061156 /nfs/dbraw/zinc/06/11/56/1211061156.db2.gz LQWNAPDDTPCDTQ-IAGOWNOFSA-N 1 2 368.478 0.543 10 5 FCBELO CCCn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001276201095 1211380354 /nfs/dbraw/zinc/38/03/54/1211380354.db2.gz ZVZXMYUAOJNUSJ-CHWSQXEVSA-N 1 2 365.438 0.657 10 5 FCBELO O=C(C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001276862173 1225679483 /nfs/dbraw/zinc/67/94/83/1225679483.db2.gz KJISCRHHDVPBRA-HUUCEWRRSA-N 1 2 364.446 0.492 10 5 FCBELO O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001276862173 1225679485 /nfs/dbraw/zinc/67/94/85/1225679485.db2.gz KJISCRHHDVPBRA-HUUCEWRRSA-N 1 2 364.446 0.492 10 5 FCBELO COC(=O)C1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001137586259 1222399585 /nfs/dbraw/zinc/39/95/85/1222399585.db2.gz DKKKUMFBPCOCIQ-UHFFFAOYSA-N 1 2 374.353 0.921 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+]1CCO ZINC000829046513 1222426277 /nfs/dbraw/zinc/42/62/77/1222426277.db2.gz FXDDWUOSQNRYEK-SECBINFHSA-N 1 2 373.207 0.891 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+]1CCO ZINC000829046513 1222426283 /nfs/dbraw/zinc/42/62/83/1222426283.db2.gz FXDDWUOSQNRYEK-SECBINFHSA-N 1 2 373.207 0.891 10 5 FCBELO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001138019136 1222469818 /nfs/dbraw/zinc/46/98/18/1222469818.db2.gz ZGKVFTLEJAULDI-NSHDSACASA-N 1 2 366.305 0.980 10 5 FCBELO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001138019136 1222469822 /nfs/dbraw/zinc/46/98/22/1222469822.db2.gz ZGKVFTLEJAULDI-NSHDSACASA-N 1 2 366.305 0.980 10 5 FCBELO CCOC(=O)C1([S@@](C)=O)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001473481205 1261490413 /nfs/dbraw/zinc/49/04/13/1261490413.db2.gz PQTQOZPTEIDYHD-RUZDIDTESA-N 1 2 372.447 0.876 10 5 FCBELO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001296064500 1262789564 /nfs/dbraw/zinc/78/95/64/1262789564.db2.gz DGJNEWGKIJLLRC-ZIAGYGMSSA-N 1 2 358.358 0.121 10 5 FCBELO O=C(NCCC[NH+]1CCN(CC(F)(F)C(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479919414 1263416446 /nfs/dbraw/zinc/41/64/46/1263416446.db2.gz HGGNFHWOCNQTDW-GHMZBOCLSA-N 1 2 370.347 0.676 10 5 FCBELO Cc1ccc(CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001482596010 1263443101 /nfs/dbraw/zinc/44/31/01/1263443101.db2.gz COXVOESAPFFOGA-ZIAGYGMSSA-N 1 2 368.459 0.728 10 5 FCBELO Cc1ccc(CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001482596010 1263443107 /nfs/dbraw/zinc/44/31/07/1263443107.db2.gz COXVOESAPFFOGA-ZIAGYGMSSA-N 1 2 368.459 0.728 10 5 FCBELO CC(C)N(CC[N@H+](C)CC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486368096 1263536252 /nfs/dbraw/zinc/53/62/52/1263536252.db2.gz JTFBFMNWEMLXES-HUUCEWRRSA-N 1 2 370.450 0.116 10 5 FCBELO CC(C)N(CC[N@@H+](C)CC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486368096 1263536258 /nfs/dbraw/zinc/53/62/58/1263536258.db2.gz JTFBFMNWEMLXES-HUUCEWRRSA-N 1 2 370.450 0.116 10 5 FCBELO Cc1cnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001494095624 1263754574 /nfs/dbraw/zinc/75/45/74/1263754574.db2.gz RJCBNWOQTSEBSS-HZPDHXFCSA-N 1 2 362.434 0.026 10 5 FCBELO CS(=O)(=O)CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001495973986 1263845600 /nfs/dbraw/zinc/84/56/00/1263845600.db2.gz IQASBYWBYQEWFY-CHWSQXEVSA-N 1 2 359.448 0.011 10 5 FCBELO O=C(NCC1([NH2+]Cc2ncnn2-c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323442199 1264430699 /nfs/dbraw/zinc/43/06/99/1264430699.db2.gz LKFVUCZWTSWCMC-ZIAGYGMSSA-N 1 2 356.386 0.671 10 5 FCBELO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001557694922 1268966223 /nfs/dbraw/zinc/96/62/23/1268966223.db2.gz PFWRTVUGRXJGKH-CQSZACIVSA-N 1 2 356.342 0.977 10 5 FCBELO O=C1NC[C@@H](O)CC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001560195919 1269195227 /nfs/dbraw/zinc/19/52/27/1269195227.db2.gz OEQYAISHJGINFP-LBPRGKRZSA-N 1 2 359.386 0.934 10 5 FCBELO Cc1cnc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC001566640095 1269652274 /nfs/dbraw/zinc/65/22/74/1269652274.db2.gz SBOFYDHYDRFJLD-HUUCEWRRSA-N 1 2 362.434 0.074 10 5 FCBELO CN(CC[NH2+]Cc1nc(Cc2ccccc2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591428 1287287832 /nfs/dbraw/zinc/28/78/32/1287287832.db2.gz METOJDWWWRFJML-ZIAGYGMSSA-N 1 2 359.386 0.874 10 5 FCBELO CN(CC[NH2+]Cc1csc(-c2cnn(C)c2)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714704777 1287330460 /nfs/dbraw/zinc/33/04/60/1287330460.db2.gz VWZFMWZYZOEUPC-CHWSQXEVSA-N 1 2 364.431 0.757 10 5 FCBELO Cc1nc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001717015590 1287402153 /nfs/dbraw/zinc/40/21/53/1287402153.db2.gz LBWBDWSHGWKZOW-HUUCEWRRSA-N 1 2 365.434 0.627 10 5 FCBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(=O)NCC12COC2 ZINC001583395096 1282088572 /nfs/dbraw/zinc/08/85/72/1282088572.db2.gz IHONQQFKXPULCJ-UHFFFAOYSA-N 1 2 371.353 0.512 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)n1 ZINC001632439159 1282177244 /nfs/dbraw/zinc/17/72/44/1282177244.db2.gz NGWVBGOXOVDLOD-LLVKDONJSA-N 1 2 351.363 0.321 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001638877783 1282731279 /nfs/dbraw/zinc/73/12/79/1282731279.db2.gz UGFXHOPOHBCWRZ-UHFFFAOYSA-N 1 2 366.393 0.947 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001638877783 1282731288 /nfs/dbraw/zinc/73/12/88/1282731288.db2.gz UGFXHOPOHBCWRZ-UHFFFAOYSA-N 1 2 366.393 0.947 10 5 FCBELO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001721706054 1288369264 /nfs/dbraw/zinc/36/92/64/1288369264.db2.gz XJRZNTZZZOGCOM-IUODEOHRSA-N 1 2 363.418 0.344 10 5 FCBELO Cc1ccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001731769605 1288563711 /nfs/dbraw/zinc/56/37/11/1288563711.db2.gz JAQDVHGABSWLDB-TZMCWYRMSA-N 1 2 352.366 0.786 10 5 FCBELO Cc1ccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001731769605 1288563717 /nfs/dbraw/zinc/56/37/17/1288563717.db2.gz JAQDVHGABSWLDB-TZMCWYRMSA-N 1 2 352.366 0.786 10 5 FCBELO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC001732126098 1288576292 /nfs/dbraw/zinc/57/62/92/1288576292.db2.gz RQOQLZWVWUGOFS-HZPDHXFCSA-N 1 2 364.446 0.706 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)c2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737331802 1289530977 /nfs/dbraw/zinc/53/09/77/1289530977.db2.gz ZYCPXZDVGVWWEP-ZIAGYGMSSA-N 1 2 366.443 0.677 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@@H+]1CCO ZINC001617186990 1289821380 /nfs/dbraw/zinc/82/13/80/1289821380.db2.gz RALOIOWDRHNGAV-GFCCVEGCSA-N 1 2 365.386 0.895 10 5 FCBELO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@H+]1CCO ZINC001617186990 1289821393 /nfs/dbraw/zinc/82/13/93/1289821393.db2.gz RALOIOWDRHNGAV-GFCCVEGCSA-N 1 2 365.386 0.895 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001623682560 1290231964 /nfs/dbraw/zinc/23/19/64/1290231964.db2.gz PFYCZQMRSSDHKU-CYBMUJFWSA-N 1 2 365.390 0.386 10 5 FCBELO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC001627405943 1290461706 /nfs/dbraw/zinc/46/17/06/1290461706.db2.gz KVMNOIDZICHFNZ-UHFFFAOYSA-N 1 2 367.387 0.297 10 5 FCBELO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001628390451 1290530923 /nfs/dbraw/zinc/53/09/23/1290530923.db2.gz RRYMWIJGSFCMMF-DOMZBBRYSA-N 1 2 364.402 0.537 10 5 FCBELO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001628390451 1290530928 /nfs/dbraw/zinc/53/09/28/1290530928.db2.gz RRYMWIJGSFCMMF-DOMZBBRYSA-N 1 2 364.402 0.537 10 5 FCBELO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[NH+](CCO)CC1 ZINC001629648556 1290616992 /nfs/dbraw/zinc/61/69/92/1290616992.db2.gz UZSZETYNZIKUGW-UHFFFAOYSA-N 1 2 351.359 0.506 10 5 FCBELO CN(C(=O)C[NH+]1CCC(O)(c2ncnn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001644370355 1290958880 /nfs/dbraw/zinc/95/88/80/1290958880.db2.gz LBQYLNCQTBNTPK-UHFFFAOYSA-N 1 2 374.401 0.670 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001645437970 1291027864 /nfs/dbraw/zinc/02/78/64/1291027864.db2.gz ACYVAFREGWQTIZ-GFCCVEGCSA-N 1 2 366.305 0.736 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001645437970 1291027873 /nfs/dbraw/zinc/02/78/73/1291027873.db2.gz ACYVAFREGWQTIZ-GFCCVEGCSA-N 1 2 366.305 0.736 10 5 FCBELO CN1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC001647970759 1291090465 /nfs/dbraw/zinc/09/04/65/1291090465.db2.gz ITMHCFVCLAEFFN-CYBMUJFWSA-N 1 2 350.375 0.501 10 5 FCBELO CN1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC001647970759 1291090473 /nfs/dbraw/zinc/09/04/73/1291090473.db2.gz ITMHCFVCLAEFFN-CYBMUJFWSA-N 1 2 350.375 0.501 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001652703523 1291294092 /nfs/dbraw/zinc/29/40/92/1291294092.db2.gz ZGKVFTLEJAULDI-LLVKDONJSA-N 1 2 366.305 0.980 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001652703523 1291294101 /nfs/dbraw/zinc/29/41/01/1291294101.db2.gz ZGKVFTLEJAULDI-LLVKDONJSA-N 1 2 366.305 0.980 10 5 FCBELO Cc1cc(=O)[nH]c(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC001655611025 1291478294 /nfs/dbraw/zinc/47/82/94/1291478294.db2.gz SPGATTCFHVVPJI-UHFFFAOYSA-N 1 2 360.374 0.383 10 5 FCBELO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1noc2c1COCC2 ZINC001265113285 859451916 /nfs/dbraw/zinc/45/19/16/859451916.db2.gz HPTZNNXPJYLWMB-BXUZGUMPSA-N 1 2 352.391 0.741 10 5 FCBELO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1noc2c1COCC2 ZINC001265113285 859451924 /nfs/dbraw/zinc/45/19/24/859451924.db2.gz HPTZNNXPJYLWMB-BXUZGUMPSA-N 1 2 352.391 0.741 10 5 FCBELO O=C(NC/C=C\C[NH2+]Cc1ccn(CC(F)(F)F)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268542648 859534581 /nfs/dbraw/zinc/53/45/81/859534581.db2.gz RIHDKDAPSAUOSK-JZIZGNRHSA-N 1 2 361.324 0.873 10 5 FCBELO COc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)nn1 ZINC001284533399 864573255 /nfs/dbraw/zinc/57/32/55/864573255.db2.gz KJIMKTAWKPTKCZ-ZIAGYGMSSA-N 1 2 351.407 0.819 10 5 FCBELO COc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)nn1 ZINC001284533399 864573258 /nfs/dbraw/zinc/57/32/58/864573258.db2.gz KJIMKTAWKPTKCZ-ZIAGYGMSSA-N 1 2 351.407 0.819 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001302303868 866319746 /nfs/dbraw/zinc/31/97/46/866319746.db2.gz NGMZSZIISHSPAZ-ZBEGNZNMSA-N 1 2 351.359 0.357 10 5 FCBELO COc1ccc(C(=O)CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001302303868 866319764 /nfs/dbraw/zinc/31/97/64/866319764.db2.gz NGMZSZIISHSPAZ-ZBEGNZNMSA-N 1 2 351.359 0.357 10 5 FCBELO O=C(C=C1CCC1)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001352653371 867213170 /nfs/dbraw/zinc/21/31/70/867213170.db2.gz QUKMRKCFKPSZEL-HUUCEWRRSA-N 1 2 350.419 0.412 10 5 FCBELO COC(=O)CN(CC[NH+]1CCOCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000294915519 214270391 /nfs/dbraw/zinc/27/03/91/214270391.db2.gz IBWRPQCUIFINGX-UHFFFAOYSA-N 1 2 363.374 0.783 10 5 FCBELO O=C(C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)N1CCCC1 ZINC000301828431 214761827 /nfs/dbraw/zinc/76/18/27/214761827.db2.gz GHKXQKXDPWJRDD-UHFFFAOYSA-N 1 2 359.390 0.382 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000265668073 210193101 /nfs/dbraw/zinc/19/31/01/210193101.db2.gz VFNCPISMCBZSFE-GFCCVEGCSA-N 1 2 373.431 0.850 10 5 FCBELO O=[N+]([O-])c1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1 ZINC000265399752 210122827 /nfs/dbraw/zinc/12/28/27/210122827.db2.gz XVBQWHICXWPGAI-NWDGAFQWSA-N 1 2 361.445 0.244 10 5 FCBELO CN1CCO[C@@H]2CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711989 213203582 /nfs/dbraw/zinc/20/35/82/213203582.db2.gz JCKXRCYAINRAFJ-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO CN1CCO[C@@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711989 213203584 /nfs/dbraw/zinc/20/35/84/213203584.db2.gz JCKXRCYAINRAFJ-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711989 213203586 /nfs/dbraw/zinc/20/35/86/213203586.db2.gz JCKXRCYAINRAFJ-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@H+]1CCO[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711989 213203589 /nfs/dbraw/zinc/20/35/89/213203589.db2.gz JCKXRCYAINRAFJ-IAGOWNOFSA-N 1 2 360.414 0.889 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284613533 213181553 /nfs/dbraw/zinc/18/15/53/213181553.db2.gz JLPNWHBMLPZJAW-GJZGRUSLSA-N 1 2 355.416 0.830 10 5 FCBELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284613533 213181554 /nfs/dbraw/zinc/18/15/54/213181554.db2.gz JLPNWHBMLPZJAW-GJZGRUSLSA-N 1 2 355.416 0.830 10 5 FCBELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000245782029 209373570 /nfs/dbraw/zinc/37/35/70/209373570.db2.gz CPINFUWNYSTJRE-QWRGUYRKSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000245782029 209373571 /nfs/dbraw/zinc/37/35/71/209373571.db2.gz CPINFUWNYSTJRE-QWRGUYRKSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188732778 209235984 /nfs/dbraw/zinc/23/59/84/209235984.db2.gz NDXSBMHLYICFBX-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188732778 209235987 /nfs/dbraw/zinc/23/59/87/209235987.db2.gz NDXSBMHLYICFBX-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188728137 209236550 /nfs/dbraw/zinc/23/65/50/209236550.db2.gz ZCMOJSZJWFAKBS-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188728137 209236555 /nfs/dbraw/zinc/23/65/55/209236555.db2.gz ZCMOJSZJWFAKBS-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000275901565 212115749 /nfs/dbraw/zinc/11/57/49/212115749.db2.gz PTUGOSAGDSDGLN-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000275901565 212115750 /nfs/dbraw/zinc/11/57/50/212115750.db2.gz PTUGOSAGDSDGLN-VXGBXAGGSA-N 1 2 373.431 0.679 10 5 FCBELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000182407208 209131932 /nfs/dbraw/zinc/13/19/32/209131932.db2.gz QHZGCJAHKUSHRH-OAHLLOKOSA-N 1 2 371.459 0.856 10 5 FCBELO Cc1cc(OCC(=O)N[C@@H](CO)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000425292926 247317421 /nfs/dbraw/zinc/31/74/21/247317421.db2.gz JJLCJNDUCAQWDD-CYBMUJFWSA-N 1 2 353.375 0.091 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000269847637 211097930 /nfs/dbraw/zinc/09/79/30/211097930.db2.gz QNUJFAUYCMURQS-GFCCVEGCSA-N 1 2 373.431 0.681 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000106190944 208218225 /nfs/dbraw/zinc/21/82/25/208218225.db2.gz BJTNAEOAWGEKIV-RDJZCZTQSA-N 1 2 362.386 0.932 10 5 FCBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000106190944 208218230 /nfs/dbraw/zinc/21/82/30/208218230.db2.gz BJTNAEOAWGEKIV-RDJZCZTQSA-N 1 2 362.386 0.932 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279084883 488916013 /nfs/dbraw/zinc/91/60/13/488916013.db2.gz ONDITJTXLKSBDF-MGPLVRAMSA-N 1 2 361.358 0.596 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279084883 488916015 /nfs/dbraw/zinc/91/60/15/488916015.db2.gz ONDITJTXLKSBDF-MGPLVRAMSA-N 1 2 361.358 0.596 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000248374159 488494989 /nfs/dbraw/zinc/49/49/89/488494989.db2.gz OEAMTSSUVWDIBH-LSDHHAIUSA-N 1 2 362.386 0.932 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000248374159 488494992 /nfs/dbraw/zinc/49/49/92/488494992.db2.gz OEAMTSSUVWDIBH-LSDHHAIUSA-N 1 2 362.386 0.932 10 5 FCBELO C[C@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000248374632 488495528 /nfs/dbraw/zinc/49/55/28/488495528.db2.gz SAKYTNKLWXIJMG-KBPBESRZSA-N 1 2 371.459 0.755 10 5 FCBELO C[C@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000248374632 488495529 /nfs/dbraw/zinc/49/55/29/488495529.db2.gz SAKYTNKLWXIJMG-KBPBESRZSA-N 1 2 371.459 0.755 10 5 FCBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106028483 488510319 /nfs/dbraw/zinc/51/03/19/488510319.db2.gz SFQORABMISGURR-UHFFFAOYSA-N 1 2 361.406 0.568 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249659383 488513529 /nfs/dbraw/zinc/51/35/29/488513529.db2.gz WHYHAEXWISBXKD-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249659383 488513531 /nfs/dbraw/zinc/51/35/31/488513531.db2.gz WHYHAEXWISBXKD-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000115410875 488544311 /nfs/dbraw/zinc/54/43/11/488544311.db2.gz RVRMWBINIRINSV-NSHDSACASA-N 1 2 354.317 0.884 10 5 FCBELO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846751 488851505 /nfs/dbraw/zinc/85/15/05/488851505.db2.gz ZGRYZFKEUZYVSA-CQSZACIVSA-N 1 2 364.450 0.856 10 5 FCBELO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846751 488851506 /nfs/dbraw/zinc/85/15/06/488851506.db2.gz ZGRYZFKEUZYVSA-CQSZACIVSA-N 1 2 364.450 0.856 10 5 FCBELO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846739 488851541 /nfs/dbraw/zinc/85/15/41/488851541.db2.gz ZGRYZFKEUZYVSA-AWEZNQCLSA-N 1 2 364.450 0.856 10 5 FCBELO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846739 488851542 /nfs/dbraw/zinc/85/15/42/488851542.db2.gz ZGRYZFKEUZYVSA-AWEZNQCLSA-N 1 2 364.450 0.856 10 5 FCBELO CC(=O)N1CC[NH+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000299522769 489450902 /nfs/dbraw/zinc/45/09/02/489450902.db2.gz JOIFOUULHDXJFY-UHFFFAOYSA-N 1 2 359.386 0.970 10 5 FCBELO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363340515 489454563 /nfs/dbraw/zinc/45/45/63/489454563.db2.gz RQKIKVVSGDJUIZ-UHFFFAOYSA-N 1 2 357.370 0.937 10 5 FCBELO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363460923 489469545 /nfs/dbraw/zinc/46/95/45/489469545.db2.gz KMMYBAMFEILOAW-OAHLLOKOSA-N 1 2 367.431 0.709 10 5 FCBELO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000427404961 489606062 /nfs/dbraw/zinc/60/60/62/489606062.db2.gz LPDZBIZOBIRFQJ-NSHDSACASA-N 1 2 366.374 0.067 10 5 FCBELO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000427404961 489606065 /nfs/dbraw/zinc/60/60/65/489606065.db2.gz LPDZBIZOBIRFQJ-NSHDSACASA-N 1 2 366.374 0.067 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416664471 489623752 /nfs/dbraw/zinc/62/37/52/489623752.db2.gz NDKKQBMPMDHFEE-OLZOCXBDSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416664471 489623754 /nfs/dbraw/zinc/62/37/54/489623754.db2.gz NDKKQBMPMDHFEE-OLZOCXBDSA-N 1 2 357.432 0.979 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459645262 489743282 /nfs/dbraw/zinc/74/32/82/489743282.db2.gz LGAZKFGFQQQAFY-BZNIZROVSA-N 1 2 353.375 0.750 10 5 FCBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459645262 489743286 /nfs/dbraw/zinc/74/32/86/489743286.db2.gz LGAZKFGFQQQAFY-BZNIZROVSA-N 1 2 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COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000275549813 212048887 /nfs/dbraw/zinc/04/88/87/212048887.db2.gz BQOBRNBAWIEOJO-UHFFFAOYSA-N 1 2 359.404 0.604 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000275549813 212048889 /nfs/dbraw/zinc/04/88/89/212048889.db2.gz BQOBRNBAWIEOJO-UHFFFAOYSA-N 1 2 359.404 0.604 10 5 FCBELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000181463667 209114371 /nfs/dbraw/zinc/11/43/71/209114371.db2.gz YLYPVUYLQSIPOE-WBMJQRKESA-N 1 2 359.386 0.204 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC[C@H](C)O)CC1 ZINC000439015739 248106284 /nfs/dbraw/zinc/10/62/84/248106284.db2.gz UCZHKCXBKDVEOY-ZDUSSCGKSA-N 1 2 357.432 0.980 10 5 FCBELO CNC(=O)C[NH+]1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443704127 248336185 /nfs/dbraw/zinc/33/61/85/248336185.db2.gz DZDANPOGZBPEBB-UHFFFAOYSA-N 1 2 370.431 0.225 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000269700561 211047925 /nfs/dbraw/zinc/04/79/25/211047925.db2.gz KVOGJKUGILRZJV-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000269700561 211047927 /nfs/dbraw/zinc/04/79/27/211047927.db2.gz KVOGJKUGILRZJV-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO COc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])cc1OC ZINC000090698704 208133568 /nfs/dbraw/zinc/13/35/68/208133568.db2.gz VGOAHGDEIBGWGS-NSHDSACASA-N 1 2 350.375 0.342 10 5 FCBELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000180304353 209093847 /nfs/dbraw/zinc/09/38/47/209093847.db2.gz KDXRUSHTMMUVJS-LLVKDONJSA-N 1 2 361.395 0.811 10 5 FCBELO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000278891461 488903284 /nfs/dbraw/zinc/90/32/84/488903284.db2.gz OGEDCLNQEFOJSC-INIZCTEOSA-N 1 2 362.342 0.474 10 5 FCBELO O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000278891461 488903287 /nfs/dbraw/zinc/90/32/87/488903287.db2.gz OGEDCLNQEFOJSC-INIZCTEOSA-N 1 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CCn1cc([C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)cn1 ZINC000248701208 488500875 /nfs/dbraw/zinc/50/08/75/488500875.db2.gz FIPJGVXXDXRVSN-HUUCEWRRSA-N 1 2 350.379 0.442 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000271823099 488548469 /nfs/dbraw/zinc/54/84/69/488548469.db2.gz ARGGVRHRKLAHKZ-UHFFFAOYSA-N 1 2 359.404 0.292 10 5 FCBELO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742990 488837110 /nfs/dbraw/zinc/83/71/10/488837110.db2.gz BUTUHQNKPPVCOQ-CYBMUJFWSA-N 1 2 372.381 0.983 10 5 FCBELO Cc1ncc(C[NH+]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000174781354 488851145 /nfs/dbraw/zinc/85/11/45/488851145.db2.gz CPFJPJNWQJESAO-AWEZNQCLSA-N 1 2 366.447 0.735 10 5 FCBELO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330580656 489119413 /nfs/dbraw/zinc/11/94/13/489119413.db2.gz PWVALKZHPQGIQZ-UHFFFAOYSA-N 1 2 365.415 0.835 10 5 FCBELO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451670122 489516823 /nfs/dbraw/zinc/51/68/23/489516823.db2.gz OGNBVWLMTGVPBR-NSHDSACASA-N 1 2 361.395 0.859 10 5 FCBELO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451670122 489516825 /nfs/dbraw/zinc/51/68/25/489516825.db2.gz OGNBVWLMTGVPBR-NSHDSACASA-N 1 2 361.395 0.859 10 5 FCBELO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452111015 489547611 /nfs/dbraw/zinc/54/76/11/489547611.db2.gz SLSISOCJRGGBPZ-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452111015 489547615 /nfs/dbraw/zinc/54/76/15/489547615.db2.gz SLSISOCJRGGBPZ-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416672687 489625995 /nfs/dbraw/zinc/62/59/95/489625995.db2.gz ZDKPTTZRMVAYSB-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416672687 489625997 /nfs/dbraw/zinc/62/59/97/489625997.db2.gz ZDKPTTZRMVAYSB-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)nc2c1 ZINC000427992391 489632145 /nfs/dbraw/zinc/63/21/45/489632145.db2.gz MQPQWNPWWMXMJQ-LBPRGKRZSA-N 1 2 365.415 0.780 10 5 FCBELO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCNC1=O ZINC000420977331 490038745 /nfs/dbraw/zinc/03/87/45/490038745.db2.gz USQRJNPMKKCAGT-ZDUSSCGKSA-N 1 2 356.404 0.084 10 5 FCBELO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCNC1=O ZINC000420977331 490038748 /nfs/dbraw/zinc/03/87/48/490038748.db2.gz USQRJNPMKKCAGT-ZDUSSCGKSA-N 1 2 356.404 0.084 10 5 FCBELO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520361287 490137786 /nfs/dbraw/zinc/13/77/86/490137786.db2.gz RPXUDUBWKXZCPC-GFCCVEGCSA-N 1 2 366.374 0.241 10 5 FCBELO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483274982 490299859 /nfs/dbraw/zinc/29/98/59/490299859.db2.gz ZZYJXYNADPMHAU-JQWIXIFHSA-N 1 2 367.358 0.734 10 5 FCBELO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483274982 490299862 /nfs/dbraw/zinc/29/98/62/490299862.db2.gz ZZYJXYNADPMHAU-JQWIXIFHSA-N 1 2 367.358 0.734 10 5 FCBELO Cc1cc[nH+]cc1N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000500668063 490541384 /nfs/dbraw/zinc/54/13/84/490541384.db2.gz RWXMONUHQVFEAH-UHFFFAOYSA-N 1 2 357.370 0.809 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000542705997 490904916 /nfs/dbraw/zinc/90/49/16/490904916.db2.gz MVUVSZRCRAJEBZ-UHFFFAOYSA-N 1 2 374.397 0.696 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000544103440 490957195 /nfs/dbraw/zinc/95/71/95/490957195.db2.gz OCIAAKWKKNCWBF-UHFFFAOYSA-N 1 2 366.355 0.824 10 5 FCBELO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590441167 491776743 /nfs/dbraw/zinc/77/67/43/491776743.db2.gz BQEVQOLLKWAEPY-WCQYABFASA-N 1 2 353.400 0.774 10 5 FCBELO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590441167 491776744 /nfs/dbraw/zinc/77/67/44/491776744.db2.gz BQEVQOLLKWAEPY-WCQYABFASA-N 1 2 353.400 0.774 10 5 FCBELO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)C1=O ZINC000583769169 491851630 /nfs/dbraw/zinc/85/16/30/491851630.db2.gz TXKKZWPQSRFLTP-OAHLLOKOSA-N 1 2 362.386 0.725 10 5 FCBELO COC[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000595289178 491913826 /nfs/dbraw/zinc/91/38/26/491913826.db2.gz PYOSHLINMBRRSB-CQSZACIVSA-N 1 2 373.431 0.563 10 5 FCBELO COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595482063 491935901 /nfs/dbraw/zinc/93/59/01/491935901.db2.gz SCWLTUMTOHOORK-GFCCVEGCSA-N 1 2 354.363 0.923 10 5 FCBELO CN(CC1C[NH+](C)C1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596563149 491991303 /nfs/dbraw/zinc/99/13/03/491991303.db2.gz QPACDEJPSLGCGH-UHFFFAOYSA-N 1 2 370.431 0.572 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598607937 492108204 /nfs/dbraw/zinc/10/82/04/492108204.db2.gz OQTSDIHYPBBMMH-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598607937 492108206 /nfs/dbraw/zinc/10/82/06/492108206.db2.gz OQTSDIHYPBBMMH-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)n1 ZINC000599109860 492136539 /nfs/dbraw/zinc/13/65/39/492136539.db2.gz WMTWMFLTRLWKKM-LLVKDONJSA-N 1 2 352.376 0.059 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000599216108 492143582 /nfs/dbraw/zinc/14/35/82/492143582.db2.gz MEEDAJXMCPEGNK-UHFFFAOYSA-N 1 2 366.403 0.671 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)n1 ZINC000599319280 492159591 /nfs/dbraw/zinc/15/95/91/492159591.db2.gz XQZZXDSTZKYRJA-UHFFFAOYSA-N 1 2 365.415 0.833 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000599319280 492159592 /nfs/dbraw/zinc/15/95/92/492159592.db2.gz XQZZXDSTZKYRJA-UHFFFAOYSA-N 1 2 365.415 0.833 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599571212 492190186 /nfs/dbraw/zinc/19/01/86/492190186.db2.gz YRRULHFQEFBACG-MRXNPFEDSA-N 1 2 351.359 0.822 10 5 FCBELO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599571212 492190189 /nfs/dbraw/zinc/19/01/89/492190189.db2.gz YRRULHFQEFBACG-MRXNPFEDSA-N 1 2 351.359 0.822 10 5 FCBELO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600233087 492251739 /nfs/dbraw/zinc/25/17/39/492251739.db2.gz WGUBFAHROQBZQF-SFHVURJKSA-N 1 2 363.414 0.869 10 5 FCBELO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600233087 492251742 /nfs/dbraw/zinc/25/17/42/492251742.db2.gz WGUBFAHROQBZQF-SFHVURJKSA-N 1 2 363.414 0.869 10 5 FCBELO Cn1ccc(NC(=O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000619251784 492256317 /nfs/dbraw/zinc/25/63/17/492256317.db2.gz QGWSPAAUKOYTBR-UHFFFAOYSA-N 1 2 369.341 0.883 10 5 FCBELO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CCO ZINC000187290036 533889136 /nfs/dbraw/zinc/88/91/36/533889136.db2.gz HUTKGZKFZZGBAK-ZDUSSCGKSA-N 1 2 359.386 0.919 10 5 FCBELO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1CCO ZINC000187290036 533889142 /nfs/dbraw/zinc/88/91/42/533889142.db2.gz HUTKGZKFZZGBAK-ZDUSSCGKSA-N 1 2 359.386 0.919 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CCO ZINC000187290017 534433411 /nfs/dbraw/zinc/43/34/11/534433411.db2.gz HUTKGZKFZZGBAK-CYBMUJFWSA-N 1 2 359.386 0.919 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1CCO ZINC000187290017 534433417 /nfs/dbraw/zinc/43/34/17/534433417.db2.gz HUTKGZKFZZGBAK-CYBMUJFWSA-N 1 2 359.386 0.919 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000592531190 546953438 /nfs/dbraw/zinc/95/34/38/546953438.db2.gz SUXBSXIVFRSUMW-STQMWFEESA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000592531190 546953442 /nfs/dbraw/zinc/95/34/42/546953442.db2.gz SUXBSXIVFRSUMW-STQMWFEESA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1 ZINC000592531183 546953661 /nfs/dbraw/zinc/95/36/61/546953661.db2.gz SUXBSXIVFRSUMW-CHWSQXEVSA-N 1 2 352.343 0.737 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1 ZINC000592531183 546953667 /nfs/dbraw/zinc/95/36/67/546953667.db2.gz SUXBSXIVFRSUMW-CHWSQXEVSA-N 1 2 352.343 0.737 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000593561030 546976181 /nfs/dbraw/zinc/97/61/81/546976181.db2.gz YJBJXVNZYVNPPY-LBPRGKRZSA-N 1 2 356.404 0.333 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593649803 546985759 /nfs/dbraw/zinc/98/57/59/546985759.db2.gz GUSNOSKYBPPJNN-GFCCVEGCSA-N 1 2 357.388 0.043 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593649803 546985768 /nfs/dbraw/zinc/98/57/68/546985768.db2.gz GUSNOSKYBPPJNN-GFCCVEGCSA-N 1 2 357.388 0.043 10 5 FCBELO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472117 547000171 /nfs/dbraw/zinc/00/01/71/547000171.db2.gz WKTYHVCIBSBEFJ-SDDRHHMPSA-N 1 2 358.420 0.766 10 5 FCBELO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472117 547000172 /nfs/dbraw/zinc/00/01/72/547000172.db2.gz WKTYHVCIBSBEFJ-SDDRHHMPSA-N 1 2 358.420 0.766 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000594780167 547009729 /nfs/dbraw/zinc/00/97/29/547009729.db2.gz IAAOXHCHACGXMX-ZDUSSCGKSA-N 1 2 370.431 0.723 10 5 FCBELO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917042770 667045264 /nfs/dbraw/zinc/04/52/64/667045264.db2.gz CJKCUTACJHQSSD-ZDUSSCGKSA-N 1 2 354.432 0.571 10 5 FCBELO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917042770 667045268 /nfs/dbraw/zinc/04/52/68/667045268.db2.gz CJKCUTACJHQSSD-ZDUSSCGKSA-N 1 2 354.432 0.571 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCC3OCCO3)CC2)cc1 ZINC000767762288 668059945 /nfs/dbraw/zinc/05/99/45/668059945.db2.gz INQWDGLOZWXFFK-UHFFFAOYSA-N 1 2 371.415 0.664 10 5 FCBELO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844748487 670940055 /nfs/dbraw/zinc/94/00/55/670940055.db2.gz TTZKERNAJJPKGL-SEBJIWKKSA-N 1 2 351.384 0.695 10 5 FCBELO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844748487 670940060 /nfs/dbraw/zinc/94/00/60/670940060.db2.gz TTZKERNAJJPKGL-SEBJIWKKSA-N 1 2 351.384 0.695 10 5 FCBELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586264 671284709 /nfs/dbraw/zinc/28/47/09/671284709.db2.gz TZGRXKZXOWANPD-GFCCVEGCSA-N 1 2 356.329 0.682 10 5 FCBELO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000551031723 1193828611 /nfs/dbraw/zinc/82/86/11/1193828611.db2.gz BXFYDNRKUTYUED-GFCCVEGCSA-N 1 2 357.370 0.881 10 5 FCBELO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)c1 ZINC001132589374 1202958061 /nfs/dbraw/zinc/95/80/61/1202958061.db2.gz LRGPKGPXKVVIEP-HNNXBMFYSA-N 1 2 374.401 0.512 10 5 FCBELO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)c1 ZINC001132589374 1202958063 /nfs/dbraw/zinc/95/80/63/1202958063.db2.gz LRGPKGPXKVVIEP-HNNXBMFYSA-N 1 2 374.401 0.512 10 5 FCBELO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000774769860 1206472736 /nfs/dbraw/zinc/47/27/36/1206472736.db2.gz HXCALRMRSQXKPN-LLVKDONJSA-N 1 2 369.378 0.536 10 5 FCBELO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000774769860 1206472739 /nfs/dbraw/zinc/47/27/39/1206472739.db2.gz HXCALRMRSQXKPN-LLVKDONJSA-N 1 2 369.378 0.536 10 5 FCBELO O=C(Cn1ncc([N+](=O)[O-])n1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000863374742 1209940611 /nfs/dbraw/zinc/94/06/11/1209940611.db2.gz WVAANGUAMXRCAL-UHFFFAOYSA-N 1 2 372.385 0.466 10 5 FCBELO Cc1c[nH+]c2cc(C(=O)N3CCCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)ccn12 ZINC000941012865 1246429158 /nfs/dbraw/zinc/42/91/58/1246429158.db2.gz QBBFPZHEPKJICE-HUUCEWRRSA-N 1 2 371.397 0.982 10 5 FCBELO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc([N+](=O)[O-])cc1 ZINC001473784511 1261497213 /nfs/dbraw/zinc/49/72/13/1261497213.db2.gz ZEVVRHPDOYLWFI-SECBINFHSA-N 1 2 358.358 0.719 10 5 FCBELO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295426753 1262764813 /nfs/dbraw/zinc/76/48/13/1262764813.db2.gz DNZDELVVJSZQGJ-OAHLLOKOSA-N 1 2 362.386 0.903 10 5 FCBELO CC(C)(C)CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483968178 1263451995 /nfs/dbraw/zinc/45/19/95/1263451995.db2.gz XXXNVRPICBOCBS-CHWSQXEVSA-N 1 2 354.451 0.785 10 5 FCBELO CCN(C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)C1CC1 ZINC001495974631 1263846007 /nfs/dbraw/zinc/84/60/07/1263846007.db2.gz RDAAMYCBGZEWGC-HUUCEWRRSA-N 1 2 364.446 0.587 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2=CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001524060242 1266681683 /nfs/dbraw/zinc/68/16/83/1266681683.db2.gz QRHSJFZEZCMPHU-HUUCEWRRSA-N 1 2 350.419 0.412 10 5 FCBELO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001546050571 1267634299 /nfs/dbraw/zinc/63/42/99/1267634299.db2.gz YLUUJWYSEMQWSX-LLVKDONJSA-N 1 2 350.331 0.205 10 5 FCBELO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001556083411 1268811733 /nfs/dbraw/zinc/81/17/33/1268811733.db2.gz ACYVAFREGWQTIZ-LBPRGKRZSA-N 1 2 366.305 0.736 10 5 FCBELO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001556083411 1268811739 /nfs/dbraw/zinc/81/17/39/1268811739.db2.gz ACYVAFREGWQTIZ-LBPRGKRZSA-N 1 2 366.305 0.736 10 5 FCBELO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566713346 1269657677 /nfs/dbraw/zinc/65/76/77/1269657677.db2.gz CAJUBHPDTAZPHG-CABCVRRESA-N 1 2 363.370 0.524 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCc2ccccc21 ZINC001567281350 1269684657 /nfs/dbraw/zinc/68/46/57/1269684657.db2.gz KFEMPFZTDRNJIA-GDBMZVCRSA-N 1 2 360.414 0.679 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCc2ccccc21 ZINC001567281350 1269684662 /nfs/dbraw/zinc/68/46/62/1269684662.db2.gz KFEMPFZTDRNJIA-GDBMZVCRSA-N 1 2 360.414 0.679 10 5 FCBELO Cc1[nH+]ccn1CC(=O)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001572507674 1270084414 /nfs/dbraw/zinc/08/44/14/1270084414.db2.gz JPHNPDNREUNOEF-ZIAGYGMSSA-N 1 2 351.407 0.552 10 5 FCBELO O=C(C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)Nc1ccc(O)cc1 ZINC001713556540 1287285698 /nfs/dbraw/zinc/28/56/98/1287285698.db2.gz QUCLBCKMWWVSIK-HUUCEWRRSA-N 1 2 362.386 0.577 10 5 FCBELO O=C(C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)Nc1ccc(O)cc1 ZINC001713556540 1287285702 /nfs/dbraw/zinc/28/57/02/1287285702.db2.gz QUCLBCKMWWVSIK-HUUCEWRRSA-N 1 2 362.386 0.577 10 5 FCBELO O=C(NCC[NH+]1CCC(NCc2cscn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717015459 1287402042 /nfs/dbraw/zinc/40/20/42/1287402042.db2.gz GSECXQFZDFYTNV-ZIAGYGMSSA-N 1 2 353.448 0.479 10 5 FCBELO O=C(NCCN1CCC([NH2+]Cc2cscn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717015459 1287402049 /nfs/dbraw/zinc/40/20/49/1287402049.db2.gz GSECXQFZDFYTNV-ZIAGYGMSSA-N 1 2 353.448 0.479 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001581628349 1280288944 /nfs/dbraw/zinc/28/89/44/1280288944.db2.gz CRPPMKXPEDKOMP-TZMCWYRMSA-N 1 2 351.407 0.669 10 5 FCBELO O=C(CCCn1cc[nH+]c1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001582594431 1281782969 /nfs/dbraw/zinc/78/29/69/1281782969.db2.gz SEBUQVMBWDKQPE-ZIAGYGMSSA-N 1 2 363.418 0.874 10 5 FCBELO CN(CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001703592126 1286122153 /nfs/dbraw/zinc/12/21/53/1286122153.db2.gz DDHWIDYVVCMAPR-ZIAGYGMSSA-N 1 2 363.418 0.392 10 5 FCBELO Cc1cc(C(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001703776463 1286138653 /nfs/dbraw/zinc/13/86/53/1286138653.db2.gz VJEUGOHAOQJFCJ-HUUCEWRRSA-N 1 2 364.402 0.517 10 5 FCBELO CC1(CC(=O)NCCC[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001703777388 1286139877 /nfs/dbraw/zinc/13/98/77/1286139877.db2.gz FMJHGTCSBLYBPN-ZIAGYGMSSA-N 1 2 352.435 0.492 10 5 FCBELO O=C(CCn1cc[nH+]c1)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001721553794 1288350904 /nfs/dbraw/zinc/35/09/04/1288350904.db2.gz SRFDWWPDJNKWEK-HUUCEWRRSA-N 1 2 363.418 0.683 10 5 FCBELO O=C(NCC1([NH2+]Cc2ccn(CC(F)(F)F)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001723515303 1288424785 /nfs/dbraw/zinc/42/47/85/1288424785.db2.gz RDOSKGFGQKWJOR-GHMZBOCLSA-N 1 2 361.324 0.849 10 5 FCBELO O=C(NCCN1CCNC1=S)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001608353680 1288828565 /nfs/dbraw/zinc/82/85/65/1288828565.db2.gz WTSOPYARZDRGJX-UHFFFAOYSA-N 1 2 360.399 0.700 10 5 FCBELO Cc1[nH+]ccn1CC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001738208454 1289644151 /nfs/dbraw/zinc/64/41/51/1289644151.db2.gz QMIMFZNKOOTTMZ-HUUCEWRRSA-N 1 2 363.418 0.602 10 5 FCBELO Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH+]1 ZINC001701413033 1289652331 /nfs/dbraw/zinc/65/23/31/1289652331.db2.gz LIJSAHGKKHNRAA-AAVRWANBSA-N 1 2 363.418 0.603 10 5 FCBELO O=C(CCCn1cc[nH+]c1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001739232959 1289822130 /nfs/dbraw/zinc/82/21/30/1289822130.db2.gz HVCCIMDIBDXOBU-ZIAGYGMSSA-N 1 2 361.402 0.389 10 5 FCBELO NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001622348764 1290121698 /nfs/dbraw/zinc/12/16/98/1290121698.db2.gz PUQWXMHKSVLUTP-UHFFFAOYSA-N 1 2 358.358 0.024 10 5 FCBELO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1=O ZINC001643564575 1290905093 /nfs/dbraw/zinc/90/50/93/1290905093.db2.gz CDTZJSDQEBJTAH-GFCCVEGCSA-N 1 2 356.404 0.084 10 5 FCBELO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1=O ZINC001643564575 1290905097 /nfs/dbraw/zinc/90/50/97/1290905097.db2.gz CDTZJSDQEBJTAH-GFCCVEGCSA-N 1 2 356.404 0.084 10 5 FCBELO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001643778055 1290914291 /nfs/dbraw/zinc/91/42/91/1290914291.db2.gz LWYFNIHJKUSBMN-UHFFFAOYSA-N 1 2 353.379 0.854 10 5 FCBELO CN1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC001643885960 1290923345 /nfs/dbraw/zinc/92/33/45/1290923345.db2.gz MRRPSCXNWOVPIQ-CYBMUJFWSA-N 1 2 350.375 0.501 10 5 FCBELO CN1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC001643885960 1290923350 /nfs/dbraw/zinc/92/33/50/1290923350.db2.gz MRRPSCXNWOVPIQ-CYBMUJFWSA-N 1 2 350.375 0.501 10 5 FCBELO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 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QSERHVLFAPJPEF-HUUCEWRRSA-N 1 2 351.407 0.318 10 5 FCBELO Cc1nc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001279431680 862884803 /nfs/dbraw/zinc/88/48/03/862884803.db2.gz QSERHVLFAPJPEF-HUUCEWRRSA-N 1 2 351.407 0.318 10 5 FCBELO CS(=O)(=O)CC1(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001279555050 862954260 /nfs/dbraw/zinc/95/42/60/862954260.db2.gz RRYVIGLHVHNLHW-ZIAGYGMSSA-N 1 2 371.459 0.225 10 5 FCBELO CS(=O)(=O)CC1(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001279555050 862954270 /nfs/dbraw/zinc/95/42/70/862954270.db2.gz RRYVIGLHVHNLHW-ZIAGYGMSSA-N 1 2 371.459 0.225 10 5 FCBELO CCCn1c(C)nnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001273077641 860367297 /nfs/dbraw/zinc/36/72/97/860367297.db2.gz PQHSRCQRWDEQJH-CHWSQXEVSA-N 1 2 350.423 0.790 10 5 FCBELO Cc1[nH+]c[nH]c1CC(=O)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001284781913 864595999 /nfs/dbraw/zinc/59/59/99/864595999.db2.gz VXZZQXIBRXVVAG-TZMCWYRMSA-N 1 2 351.407 0.669 10 5 FCBELO COCC[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001292761562 865750553 /nfs/dbraw/zinc/75/05/53/865750553.db2.gz DNBMINQCWBKZDG-UHFFFAOYSA-N 1 2 359.404 0.306 10 5 FCBELO COCC[N@@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001292761562 865750567 /nfs/dbraw/zinc/75/05/67/865750567.db2.gz DNBMINQCWBKZDG-UHFFFAOYSA-N 1 2 359.404 0.306 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC=CC1 ZINC001294658481 865846805 /nfs/dbraw/zinc/84/68/05/865846805.db2.gz CZCANSSVJKICKP-HUUCEWRRSA-N 1 2 350.419 0.268 10 5 FCBELO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000188730201 209235673 /nfs/dbraw/zinc/23/56/73/209235673.db2.gz JQKIJNSSTZWNEA-ZDUSSCGKSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000188730201 209235676 /nfs/dbraw/zinc/23/56/76/209235676.db2.gz JQKIJNSSTZWNEA-ZDUSSCGKSA-N 1 2 357.432 0.466 10 5 FCBELO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000188285264 209228052 /nfs/dbraw/zinc/22/80/52/209228052.db2.gz DKQSYVVDMKIDIH-SNVBAGLBSA-N 1 2 363.823 0.935 10 5 FCBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374823195 217178192 /nfs/dbraw/zinc/17/81/92/217178192.db2.gz KFNSHSLCQVMVCJ-UHFFFAOYSA-N 1 2 370.431 0.256 10 5 FCBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374823195 217178194 /nfs/dbraw/zinc/17/81/94/217178194.db2.gz KFNSHSLCQVMVCJ-UHFFFAOYSA-N 1 2 370.431 0.256 10 5 FCBELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000181702402 209120942 /nfs/dbraw/zinc/12/09/42/209120942.db2.gz DVVVALJLVPWLLZ-ZDUSSCGKSA-N 1 2 351.388 0.664 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270602914 211232714 /nfs/dbraw/zinc/23/27/14/211232714.db2.gz CXDSGARZUIZZND-NXEZZACHSA-N 1 2 351.363 0.673 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 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CC(C)CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001485662712 1263512164 /nfs/dbraw/zinc/51/21/64/1263512164.db2.gz KADKJSLMCHESJE-ZIAGYGMSSA-N 1 2 352.435 0.348 10 5 FCBELO CC(C)CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001485662712 1263512168 /nfs/dbraw/zinc/51/21/68/1263512168.db2.gz KADKJSLMCHESJE-ZIAGYGMSSA-N 1 2 352.435 0.348 10 5 FCBELO Cc1c[nH+]cn1CC(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001338730508 1268065715 /nfs/dbraw/zinc/06/57/15/1268065715.db2.gz LAFIIVCTIGGJGE-ZIAGYGMSSA-N 1 2 351.407 0.552 10 5 FCBELO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001556539361 1268863921 /nfs/dbraw/zinc/86/39/21/1268863921.db2.gz VTDWOXYLZXHOLC-LBPRGKRZSA-N 1 2 362.390 0.271 10 5 FCBELO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001566713347 1269657805 /nfs/dbraw/zinc/65/78/05/1269657805.db2.gz CAJUBHPDTAZPHG-GJZGRUSLSA-N 1 2 363.370 0.524 10 5 FCBELO CCCc1noc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001570414410 1269879376 /nfs/dbraw/zinc/87/93/76/1269879376.db2.gz VUKAEGFHIXZMQU-VXGBXAGGSA-N 1 2 367.406 0.130 10 5 FCBELO CN(C(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001713556753 1287285677 /nfs/dbraw/zinc/28/56/77/1287285677.db2.gz ZDHNAMKCYZLLRY-HZPDHXFCSA-N 1 2 360.414 0.895 10 5 FCBELO CN(C(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001713556753 1287285680 /nfs/dbraw/zinc/28/56/80/1287285680.db2.gz ZDHNAMKCYZLLRY-HZPDHXFCSA-N 1 2 360.414 0.895 10 5 FCBELO Cc1cc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001717015419 1287401355 /nfs/dbraw/zinc/40/13/55/1287401355.db2.gz DLMDYNQRHQEAOS-HUUCEWRRSA-N 1 2 351.407 0.318 10 5 FCBELO Cc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001717015419 1287401366 /nfs/dbraw/zinc/40/13/66/1287401366.db2.gz DLMDYNQRHQEAOS-HUUCEWRRSA-N 1 2 351.407 0.318 10 5 FCBELO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)n1 ZINC001632439160 1282176661 /nfs/dbraw/zinc/17/66/61/1282176661.db2.gz NGWVBGOXOVDLOD-NSHDSACASA-N 1 2 351.363 0.321 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382703 1282402551 /nfs/dbraw/zinc/40/25/51/1282402551.db2.gz BWKADHVJRDFMBN-CVEARBPZSA-N 1 2 360.414 0.979 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382703 1282402554 /nfs/dbraw/zinc/40/25/54/1282402554.db2.gz BWKADHVJRDFMBN-CVEARBPZSA-N 1 2 360.414 0.979 10 5 FCBELO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001637901929 1282636804 /nfs/dbraw/zinc/63/68/04/1282636804.db2.gz GXEULVMCUWGKPU-LBPRGKRZSA-N 1 2 362.342 0.987 10 5 FCBELO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001637901929 1282636817 /nfs/dbraw/zinc/63/68/17/1282636817.db2.gz GXEULVMCUWGKPU-LBPRGKRZSA-N 1 2 362.342 0.987 10 5 FCBELO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001597148392 1286330425 /nfs/dbraw/zinc/33/04/25/1286330425.db2.gz NZJFLQOQWXXHNJ-CYBMUJFWSA-N 1 2 351.363 0.078 10 5 FCBELO CCNC(=O)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001700123456 1289584739 /nfs/dbraw/zinc/58/47/39/1289584739.db2.gz VBTHGXBYKSTDAT-HZPDHXFCSA-N 1 2 360.414 0.462 10 5 FCBELO CCNC(=O)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001700123456 1289584745 /nfs/dbraw/zinc/58/47/45/1289584745.db2.gz VBTHGXBYKSTDAT-HZPDHXFCSA-N 1 2 360.414 0.462 10 5 FCBELO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001623676353 1290228557 /nfs/dbraw/zinc/22/85/57/1290228557.db2.gz DMLSRQXSJIRHJR-OAHLLOKOSA-N 1 2 363.370 0.870 10 5 FCBELO CCc1n[nH]c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC001629531212 1290603740 /nfs/dbraw/zinc/60/37/40/1290603740.db2.gz WVMRVXKFURTTSY-UHFFFAOYSA-N 1 2 367.406 0.492 10 5 FCBELO O=C1NCCC12CC[NH+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001648231162 1291113299 /nfs/dbraw/zinc/11/32/99/1291113299.db2.gz SVGXQMYSLPGMJM-UHFFFAOYSA-N 1 2 367.427 0.971 10 5 FCBELO NS(=O)(=O)c1cccc(NCC[N@@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001652253005 1291269891 /nfs/dbraw/zinc/26/98/91/1291269891.db2.gz UIAMSQZDFUDNJL-UHFFFAOYSA-N 1 2 372.403 0.103 10 5 FCBELO NS(=O)(=O)c1cccc(NCC[N@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001652253005 1291269901 /nfs/dbraw/zinc/26/99/01/1291269901.db2.gz UIAMSQZDFUDNJL-UHFFFAOYSA-N 1 2 372.403 0.103 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001656342887 1291511224 /nfs/dbraw/zinc/51/12/24/1291511224.db2.gz CSOKKVJFMQUSID-WDEREUQCSA-N 1 2 356.404 0.532 10 5 FCBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001656342887 1291511229 /nfs/dbraw/zinc/51/12/29/1291511229.db2.gz CSOKKVJFMQUSID-WDEREUQCSA-N 1 2 356.404 0.532 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CC(N)=O)C2CCOCC2)c1 ZINC001659982514 1291648410 /nfs/dbraw/zinc/64/84/10/1291648410.db2.gz LGUWEZQIIHZELU-UHFFFAOYSA-N 1 2 351.359 0.848 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CC(N)=O)C2CCOCC2)c1 ZINC001659982514 1291648416 /nfs/dbraw/zinc/64/84/16/1291648416.db2.gz LGUWEZQIIHZELU-UHFFFAOYSA-N 1 2 351.359 0.848 10 5 FCBELO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCS(C)(=O)=O ZINC001667412941 1291936204 /nfs/dbraw/zinc/93/62/04/1291936204.db2.gz FXXBKJLRWPOZJF-ZIAGYGMSSA-N 1 2 361.464 0.257 10 5 FCBELO C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCS(C)(=O)=O ZINC001667412941 1291936209 /nfs/dbraw/zinc/93/62/09/1291936209.db2.gz FXXBKJLRWPOZJF-ZIAGYGMSSA-N 1 2 361.464 0.257 10 5 FCBELO CC(=O)Nc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001668821741 1291975532 /nfs/dbraw/zinc/97/55/32/1291975532.db2.gz RDSIREFWTFKDLT-JDEDCZITSA-N 1 2 353.404 0.529 10 5 FCBELO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001136393170 849219501 /nfs/dbraw/zinc/21/95/01/849219501.db2.gz GHLBEFIKOLRIAV-HNNXBMFYSA-N 1 2 369.447 0.424 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC001137886199 849289372 /nfs/dbraw/zinc/28/93/72/849289372.db2.gz MAICSIKKHLCFHA-QMMMGPOBSA-N 1 2 359.770 0.681 10 5 FCBELO COC(=O)CC[N@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC001137886199 849289378 /nfs/dbraw/zinc/28/93/78/849289378.db2.gz MAICSIKKHLCFHA-QMMMGPOBSA-N 1 2 359.770 0.681 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001175954764 850777345 /nfs/dbraw/zinc/77/73/45/850777345.db2.gz BMZJQABWFLTTQS-NEPJUHHUSA-N 1 2 370.431 0.793 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001175954764 850777354 /nfs/dbraw/zinc/77/73/54/850777354.db2.gz BMZJQABWFLTTQS-NEPJUHHUSA-N 1 2 370.431 0.793 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001175954767 850777837 /nfs/dbraw/zinc/77/78/37/850777837.db2.gz BMZJQABWFLTTQS-VXGBXAGGSA-N 1 2 370.431 0.793 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001175954767 850777843 /nfs/dbraw/zinc/77/78/43/850777843.db2.gz BMZJQABWFLTTQS-VXGBXAGGSA-N 1 2 370.431 0.793 10 5 FCBELO CC[C@H](C[NH+]1CCOCC1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001187663014 851592300 /nfs/dbraw/zinc/59/23/00/851592300.db2.gz SWZRFXAKFWJTNJ-LLVKDONJSA-N 1 2 358.420 0.765 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccco1 ZINC001283817707 864523346 /nfs/dbraw/zinc/52/33/46/864523346.db2.gz QBQZPEQQYSGHHI-CHWSQXEVSA-N 1 2 350.375 0.209 10 5 FCBELO Cc1nc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001328530104 871486154 /nfs/dbraw/zinc/48/61/54/871486154.db2.gz MQOXPFQZMZVMQO-TZMCWYRMSA-N 1 2 368.459 0.868 10 5 FCBELO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC001329476099 872054950 /nfs/dbraw/zinc/05/49/50/872054950.db2.gz HXNFWKGTCKHBJZ-UHFFFAOYSA-N 1 2 369.447 0.390 10 5 FCBELO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1 ZINC000265399754 210123080 /nfs/dbraw/zinc/12/30/80/210123080.db2.gz XVBQWHICXWPGAI-VXGBXAGGSA-N 1 2 361.445 0.244 10 5 FCBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308169 210093124 /nfs/dbraw/zinc/09/31/24/210093124.db2.gz PBMSJDGUUFNHGW-VXGBXAGGSA-N 1 2 370.431 0.854 10 5 FCBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308169 210093125 /nfs/dbraw/zinc/09/31/25/210093125.db2.gz PBMSJDGUUFNHGW-VXGBXAGGSA-N 1 2 370.431 0.854 10 5 FCBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308167 210093163 /nfs/dbraw/zinc/09/31/63/210093163.db2.gz PBMSJDGUUFNHGW-NWDGAFQWSA-N 1 2 370.431 0.854 10 5 FCBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308167 210093172 /nfs/dbraw/zinc/09/31/72/210093172.db2.gz PBMSJDGUUFNHGW-NWDGAFQWSA-N 1 2 370.431 0.854 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284613529 213181522 /nfs/dbraw/zinc/18/15/22/213181522.db2.gz JLPNWHBMLPZJAW-CABCVRRESA-N 1 2 355.416 0.830 10 5 FCBELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284613529 213181524 /nfs/dbraw/zinc/18/15/24/213181524.db2.gz JLPNWHBMLPZJAW-CABCVRRESA-N 1 2 355.416 0.830 10 5 FCBELO COCCN1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000368347807 216236653 /nfs/dbraw/zinc/23/66/53/216236653.db2.gz LLLZPCQBPXQJHH-AWEZNQCLSA-N 1 2 367.402 0.515 10 5 FCBELO COCCN1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000368347807 216236657 /nfs/dbraw/zinc/23/66/57/216236657.db2.gz LLLZPCQBPXQJHH-AWEZNQCLSA-N 1 2 367.402 0.515 10 5 FCBELO Cc1nc(N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cc[nH+]1 ZINC000185049400 209170667 /nfs/dbraw/zinc/17/06/67/209170667.db2.gz FDHKJJMCOFBUPT-UHFFFAOYSA-N 1 2 360.378 0.422 10 5 FCBELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181692609 209120601 /nfs/dbraw/zinc/12/06/01/209120601.db2.gz DVUPTLRNIVTOFP-HNNXBMFYSA-N 1 2 365.415 0.805 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181693095 209119915 /nfs/dbraw/zinc/11/99/15/209119915.db2.gz XAYFMPWIZVOIJR-OAHLLOKOSA-N 1 2 365.415 0.972 10 5 FCBELO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC[C@@H](C)O)CC1 ZINC000439015738 248106621 /nfs/dbraw/zinc/10/66/21/248106621.db2.gz UCZHKCXBKDVEOY-CYBMUJFWSA-N 1 2 357.432 0.980 10 5 FCBELO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000109985797 208265509 /nfs/dbraw/zinc/26/55/09/208265509.db2.gz ALEPIMJCYAXIIO-NSHDSACASA-N 1 2 360.370 0.887 10 5 FCBELO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000116888680 208337198 /nfs/dbraw/zinc/33/71/98/208337198.db2.gz MOSJWSVBRKDWPO-NSHDSACASA-N 1 2 367.387 0.768 10 5 FCBELO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000116888680 208337204 /nfs/dbraw/zinc/33/72/04/208337204.db2.gz MOSJWSVBRKDWPO-NSHDSACASA-N 1 2 367.387 0.768 10 5 FCBELO Cc1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc([N+](=O)[O-])c1F ZINC000180079895 209090658 /nfs/dbraw/zinc/09/06/58/209090658.db2.gz NQWOIZHSLDQKHZ-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO Cc1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc([N+](=O)[O-])c1F ZINC000180079895 209090660 /nfs/dbraw/zinc/09/06/60/209090660.db2.gz NQWOIZHSLDQKHZ-UHFFFAOYSA-N 1 2 361.395 0.731 10 5 FCBELO COC(=O)CNC(=O)c1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000413387131 533534820 /nfs/dbraw/zinc/53/48/20/533534820.db2.gz WJKJXTBUUJSSRB-UHFFFAOYSA-N 1 2 361.358 0.886 10 5 FCBELO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302397774 488889509 /nfs/dbraw/zinc/88/95/09/488889509.db2.gz 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0.522 10 5 FCBELO CC(C)CCC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001524041110 1266677015 /nfs/dbraw/zinc/67/70/15/1266677015.db2.gz OBCFXNOKTGTNDS-HUUCEWRRSA-N 1 2 354.451 0.738 10 5 FCBELO O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CC[NH+](CCO)CC1 ZINC001540773001 1267463451 /nfs/dbraw/zinc/46/34/51/1267463451.db2.gz VSEXCAITAHSKEV-UHFFFAOYSA-N 1 2 359.386 0.590 10 5 FCBELO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001557694921 1268966126 /nfs/dbraw/zinc/96/61/26/1268966126.db2.gz PFWRTVUGRXJGKH-AWEZNQCLSA-N 1 2 356.342 0.977 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC001566453156 1269643707 /nfs/dbraw/zinc/64/37/07/1269643707.db2.gz FBSVEOWLXNRQMX-ZIAGYGMSSA-N 1 2 352.366 0.868 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC001566453156 1269643721 /nfs/dbraw/zinc/64/37/21/1269643721.db2.gz FBSVEOWLXNRQMX-ZIAGYGMSSA-N 1 2 352.366 0.868 10 5 FCBELO O=C(NCC[NH+]1CCN(Cc2ccc(F)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566649012 1269653736 /nfs/dbraw/zinc/65/37/36/1269653736.db2.gz DOIMLXCWUJPDJN-HUUCEWRRSA-N 1 2 351.382 0.120 10 5 FCBELO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCCCC2 ZINC001713012374 1287260721 /nfs/dbraw/zinc/26/07/21/1287260721.db2.gz IYVIGNANILRQRC-ZIAGYGMSSA-N 1 2 364.450 0.998 10 5 FCBELO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCCCC2 ZINC001713012374 1287260724 /nfs/dbraw/zinc/26/07/24/1287260724.db2.gz IYVIGNANILRQRC-ZIAGYGMSSA-N 1 2 364.450 0.998 10 5 FCBELO CCc1cnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001714888025 1287337804 /nfs/dbraw/zinc/33/78/04/1287337804.db2.gz YLOIEGAFXBVIOX-HUUCEWRRSA-N 1 2 365.434 0.478 10 5 FCBELO CCCn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001715095061 1287345115 /nfs/dbraw/zinc/34/51/15/1287345115.db2.gz NMCVJOSEXQFPCX-VXGBXAGGSA-N 1 2 351.411 0.267 10 5 FCBELO CCN(CC)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001715310385 1287350427 /nfs/dbraw/zinc/35/04/27/1287350427.db2.gz JWRBRFMIAZNPTP-ZIAGYGMSSA-N 1 2 352.435 0.444 10 5 FCBELO O=C(NC/C=C/C[NH2+]Cc1nnnn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715814641 1287361286 /nfs/dbraw/zinc/36/12/86/1287361286.db2.gz MQKORNGFFGZQAD-KOABKASLSA-N 1 2 357.374 0.090 10 5 FCBELO CC(C)(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)n1cc([N+](=O)[O-])cn1 ZINC001633488983 1282247858 /nfs/dbraw/zinc/24/78/58/1282247858.db2.gz QSCOHYSSGNQDRX-UHFFFAOYSA-N 1 2 353.379 0.091 10 5 FCBELO CC(C)(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)n1cc([N+](=O)[O-])cn1 ZINC001633488983 1282247867 /nfs/dbraw/zinc/24/78/67/1282247867.db2.gz QSCOHYSSGNQDRX-UHFFFAOYSA-N 1 2 353.379 0.091 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC001587149378 1282332844 /nfs/dbraw/zinc/33/28/44/1282332844.db2.gz PVUYNIAEXLKSDX-AWEZNQCLSA-N 1 2 351.359 0.520 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC001587149378 1282332847 /nfs/dbraw/zinc/33/28/47/1282332847.db2.gz PVUYNIAEXLKSDX-AWEZNQCLSA-N 1 2 351.359 0.520 10 5 FCBELO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001638909796 1282733523 /nfs/dbraw/zinc/73/35/23/1282733523.db2.gz NDBWOTSVVKYLBE-UHFFFAOYSA-N 1 2 367.387 0.297 10 5 FCBELO O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001705261706 1286363552 /nfs/dbraw/zinc/36/35/52/1286363552.db2.gz UILMFBDHOWERMH-ZIAGYGMSSA-N 1 2 370.369 0.311 10 5 FCBELO CCOCC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001707277827 1287133225 /nfs/dbraw/zinc/13/32/25/1287133225.db2.gz LGEDMKAZKYCDRH-ZYHUDNBSSA-N 1 2 354.432 0.819 10 5 FCBELO Cc1c[nH+]c2cc(C(=O)NC/C=C\CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccn12 ZINC001721851869 1288385960 /nfs/dbraw/zinc/38/59/60/1288385960.db2.gz HYZXGXMMUVFYIK-DTSKHDKYSA-N 1 2 357.370 0.710 10 5 FCBELO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001726059913 1288493222 /nfs/dbraw/zinc/49/32/22/1288493222.db2.gz LEHCPFLKWFHCIF-ZIAGYGMSSA-N 1 2 363.418 0.792 10 5 FCBELO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2[nH]ccc2n1 ZINC001731307262 1288552122 /nfs/dbraw/zinc/55/21/22/1288552122.db2.gz ZMVKONXQXKDBNT-CHWSQXEVSA-N 1 2 362.390 0.016 10 5 FCBELO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2[nH]ccc2n1 ZINC001731307262 1288552124 /nfs/dbraw/zinc/55/21/24/1288552124.db2.gz ZMVKONXQXKDBNT-CHWSQXEVSA-N 1 2 362.390 0.016 10 5 FCBELO Cc1nsc(C)c1C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001731364917 1288553166 /nfs/dbraw/zinc/55/31/66/1288553166.db2.gz FTDKAWORUOHBEO-UKRRQHHQSA-N 1 2 367.475 0.659 10 5 FCBELO O=C(NC1(C[NH2+]Cc2noc(C3CC3)n2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733829155 1288632476 /nfs/dbraw/zinc/63/24/76/1288632476.db2.gz RDGUWDASNNKIQS-VXGBXAGGSA-N 1 2 365.390 0.367 10 5 FCBELO Cc1cccc(OCC[NH+]2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001734070669 1288639962 /nfs/dbraw/zinc/63/99/62/1288639962.db2.gz JQMDFTCEACEIRY-HZPDHXFCSA-N 1 2 363.414 0.592 10 5 FCBELO CC(C)(C)/C=C/C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001737331365 1289529714 /nfs/dbraw/zinc/52/97/14/1289529714.db2.gz LWJLMZXJBLNNFA-XEVLESSRSA-N 1 2 366.462 0.904 10 5 FCBELO CC(C)COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001700297806 1289591416 /nfs/dbraw/zinc/59/14/16/1289591416.db2.gz NNCAKLHAEPEMEC-HZPDHXFCSA-N 1 2 354.451 0.153 10 5 FCBELO O=C(NCCn1cnccc1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001630770428 1290699377 /nfs/dbraw/zinc/69/93/77/1290699377.db2.gz DFUHHRKYNYZSFO-UHFFFAOYSA-N 1 2 354.326 0.767 10 5 FCBELO CCN1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001654008229 1291387698 /nfs/dbraw/zinc/38/76/98/1291387698.db2.gz LEUUIRZAHZVNJZ-CYBMUJFWSA-N 1 2 370.431 0.426 10 5 FCBELO CCN1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001654008229 1291387707 /nfs/dbraw/zinc/38/77/07/1291387707.db2.gz LEUUIRZAHZVNJZ-CYBMUJFWSA-N 1 2 370.431 0.426 10 5 FCBELO COc1ccc(NC(=O)C[NH2+][C@@H]2COCCC2(OC)OC)c([N+](=O)[O-])c1 ZINC001654676240 1291426386 /nfs/dbraw/zinc/42/63/86/1291426386.db2.gz COMPCHUKNZPKKB-CQSZACIVSA-N 1 2 369.374 0.910 10 5 FCBELO O=C(C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)NCC1CC1 ZINC001666821563 1291923878 /nfs/dbraw/zinc/92/38/78/1291923878.db2.gz UUTXBVIIQSVRRZ-ZIAGYGMSSA-N 1 2 350.419 0.102 10 5 FCBELO O=C(NCC1(O)C[NH+](CCc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001672075953 1292062804 /nfs/dbraw/zinc/06/28/04/1292062804.db2.gz ABALWGYEARFIPK-ZIAGYGMSSA-N 1 2 353.806 0.711 10 5 FCBELO CCN(C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001677562264 1292237639 /nfs/dbraw/zinc/23/76/39/1292237639.db2.gz HERXXLNGZLRZFR-HUUCEWRRSA-N 1 2 350.419 0.411 10 5 FCBELO CCN(C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001677562264 1292237649 /nfs/dbraw/zinc/23/76/49/1292237649.db2.gz HERXXLNGZLRZFR-HUUCEWRRSA-N 1 2 350.419 0.411 10 5 FCBELO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751416402 836486362 /nfs/dbraw/zinc/48/63/62/836486362.db2.gz AYJRLJQSKDBPLG-CQSZACIVSA-N 1 2 355.416 0.672 10 5 FCBELO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001137881940 849288167 /nfs/dbraw/zinc/28/81/67/849288167.db2.gz HLFOSRSQXZLMTE-SNVBAGLBSA-N 1 2 351.363 0.281 10 5 FCBELO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001137881940 849288176 /nfs/dbraw/zinc/28/81/76/849288176.db2.gz HLFOSRSQXZLMTE-SNVBAGLBSA-N 1 2 351.363 0.281 10 5 FCBELO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001148300940 849606712 /nfs/dbraw/zinc/60/67/12/849606712.db2.gz LSMJEWODJNDSLF-UHFFFAOYSA-N 1 2 353.379 0.449 10 5 FCBELO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001148300940 849606717 /nfs/dbraw/zinc/60/67/17/849606717.db2.gz LSMJEWODJNDSLF-UHFFFAOYSA-N 1 2 353.379 0.449 10 5 FCBELO O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001264359553 859351809 /nfs/dbraw/zinc/35/18/09/859351809.db2.gz NUZWSOBOQCJPSK-LLVKDONJSA-N 1 2 350.356 0.697 10 5 FCBELO O=C(NC/C=C/C[NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274014830 860659961 /nfs/dbraw/zinc/65/99/61/860659961.db2.gz DLYULHKYHJTZIO-NUYITTKVSA-N 1 2 363.399 0.183 10 5 FCBELO CC(F)(F)CC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283816629 864523294 /nfs/dbraw/zinc/52/32/94/864523294.db2.gz OZAUICWVTXOYTD-VXGBXAGGSA-N 1 2 362.377 0.347 10 5 FCBELO CN(CCS(C)(=O)=O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001292745722 865749432 /nfs/dbraw/zinc/74/94/32/865749432.db2.gz HPVFYGOQXOPLEF-UHFFFAOYSA-N 1 2 352.372 0.897 10 5 FCBELO CNc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001301176914 866251651 /nfs/dbraw/zinc/25/16/51/866251651.db2.gz BUGOWBAPNUWZSQ-UHFFFAOYSA-N 1 2 350.375 0.815 10 5 FCBELO CNc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC001301176914 866251671 /nfs/dbraw/zinc/25/16/71/866251671.db2.gz BUGOWBAPNUWZSQ-UHFFFAOYSA-N 1 2 350.375 0.815 10 5 FCBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC001317448676 867531050 /nfs/dbraw/zinc/53/10/50/867531050.db2.gz XHCCKBYRUOZYCJ-CHWSQXEVSA-N 1 2 354.794 0.992 10 5 FCBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC001317448676 867531069 /nfs/dbraw/zinc/53/10/69/867531069.db2.gz XHCCKBYRUOZYCJ-CHWSQXEVSA-N 1 2 354.794 0.992 10 5 FCBELO Cc1nc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001317819118 867560859 /nfs/dbraw/zinc/56/08/59/867560859.db2.gz QCGSNJOXWKNAGZ-HUUCEWRRSA-N 1 2 367.475 0.693 10 5 FCBELO O=C(NC1(CO)CC[NH+](CCn2cc(Cl)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001328529619 871483655 /nfs/dbraw/zinc/48/36/55/871483655.db2.gz JJQONXRBXUWCAK-CHWSQXEVSA-N 1 2 371.825 0.145 10 5 FCBELO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295420437 214295834 /nfs/dbraw/zinc/29/58/34/214295834.db2.gz NJUGELKMBMGGAA-XIRDDKMYSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295420437 214295837 /nfs/dbraw/zinc/29/58/37/214295837.db2.gz NJUGELKMBMGGAA-XIRDDKMYSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295420422 214295843 /nfs/dbraw/zinc/29/58/43/214295843.db2.gz NJUGELKMBMGGAA-PVAVHDDUSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295420422 214295846 /nfs/dbraw/zinc/29/58/46/214295846.db2.gz NJUGELKMBMGGAA-PVAVHDDUSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295457669 214299412 /nfs/dbraw/zinc/29/94/12/214299412.db2.gz PZAKXDDPSILMOZ-CPUCHLNUSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295457669 214299415 /nfs/dbraw/zinc/29/94/15/214299415.db2.gz PZAKXDDPSILMOZ-CPUCHLNUSA-N 1 2 351.403 0.739 10 5 FCBELO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246621420 209392540 /nfs/dbraw/zinc/39/25/40/209392540.db2.gz XTQGQFNIFJUVIL-SWLSCSKDSA-N 1 2 355.416 0.936 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000188733454 209236748 /nfs/dbraw/zinc/23/67/48/209236748.db2.gz VHDXWFDUXUSYFX-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000188733454 209236752 /nfs/dbraw/zinc/23/67/52/209236752.db2.gz VHDXWFDUXUSYFX-GFCCVEGCSA-N 1 2 357.432 0.899 10 5 FCBELO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182846347 209136538 /nfs/dbraw/zinc/13/65/38/209136538.db2.gz VICAORJEEPUICB-NSHDSACASA-N 1 2 367.793 0.303 10 5 FCBELO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182444485 209131953 /nfs/dbraw/zinc/13/19/53/209131953.db2.gz GYFUPDOGSAYECJ-UHFFFAOYSA-N 1 2 357.432 0.467 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181701745 209120152 /nfs/dbraw/zinc/12/01/52/209120152.db2.gz GFEXSTPJSSFKLX-HNNXBMFYSA-N 1 2 365.415 0.972 10 5 FCBELO O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000425543653 247350216 /nfs/dbraw/zinc/35/02/16/247350216.db2.gz IATGVCTXBAWVRL-VIFPVBQESA-N 1 2 360.330 0.870 10 5 FCBELO O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000425543653 247350221 /nfs/dbraw/zinc/35/02/21/247350221.db2.gz IATGVCTXBAWVRL-VIFPVBQESA-N 1 2 360.330 0.870 10 5 FCBELO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000116887508 208336661 /nfs/dbraw/zinc/33/66/61/208336661.db2.gz MCZWJKIKUWZIBI-LLVKDONJSA-N 1 2 367.387 0.768 10 5 FCBELO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 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ZINC000452106610 489546585 /nfs/dbraw/zinc/54/65/85/489546585.db2.gz QKYSPLITUMSWBY-CYBMUJFWSA-N 1 2 357.432 0.899 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416661766 489623409 /nfs/dbraw/zinc/62/34/09/489623409.db2.gz JYBLSQAASRABNS-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416661766 489623411 /nfs/dbraw/zinc/62/34/11/489623411.db2.gz JYBLSQAASRABNS-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672611 489626057 /nfs/dbraw/zinc/62/60/57/489626057.db2.gz YXVIQKXWKJKZBP-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416672611 489626058 /nfs/dbraw/zinc/62/60/58/489626058.db2.gz YXVIQKXWKJKZBP-CHWSQXEVSA-N 1 2 357.432 0.979 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428520938 489652408 /nfs/dbraw/zinc/65/24/08/489652408.db2.gz ICGBZKGRJWHVSU-LBPRGKRZSA-N 1 2 365.386 0.910 10 5 FCBELO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000428520938 489652412 /nfs/dbraw/zinc/65/24/12/489652412.db2.gz ICGBZKGRJWHVSU-LBPRGKRZSA-N 1 2 365.386 0.910 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000376796219 489797248 /nfs/dbraw/zinc/79/72/48/489797248.db2.gz KWUPQDVIZIJEOO-VIFPVBQESA-N 1 2 351.331 0.831 10 5 FCBELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561957 489836850 /nfs/dbraw/zinc/83/68/50/489836850.db2.gz CWXVOGYYOSBGJQ-LBPRGKRZSA-N 1 2 351.359 0.857 10 5 FCBELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475561957 489836854 /nfs/dbraw/zinc/83/68/54/489836854.db2.gz CWXVOGYYOSBGJQ-LBPRGKRZSA-N 1 2 351.359 0.857 10 5 FCBELO COC(=O)C(C)(C)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000494467850 489892159 /nfs/dbraw/zinc/89/21/59/489892159.db2.gz HUFAQLRFAWQYNU-UHFFFAOYSA-N 1 2 352.391 0.326 10 5 FCBELO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000447680703 490256039 /nfs/dbraw/zinc/25/60/39/490256039.db2.gz SBIBRCXRPRZWME-UHFFFAOYSA-N 1 2 372.385 0.664 10 5 FCBELO NC(=O)C[N@H+]1CCc2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000447680703 490256046 /nfs/dbraw/zinc/25/60/46/490256046.db2.gz SBIBRCXRPRZWME-UHFFFAOYSA-N 1 2 372.385 0.664 10 5 FCBELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000509195332 490401075 /nfs/dbraw/zinc/40/10/75/490401075.db2.gz KDDOKENBBFXNLG-OAHLLOKOSA-N 1 2 364.402 0.973 10 5 FCBELO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000509195332 490401081 /nfs/dbraw/zinc/40/10/81/490401081.db2.gz KDDOKENBBFXNLG-OAHLLOKOSA-N 1 2 364.402 0.973 10 5 FCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1CCO ZINC000548641347 490520904 /nfs/dbraw/zinc/52/09/04/490520904.db2.gz NYQOUTHFNVOURU-NSHDSACASA-N 1 2 351.359 0.505 10 5 FCBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1CCO ZINC000548641347 490520911 /nfs/dbraw/zinc/52/09/11/490520911.db2.gz NYQOUTHFNVOURU-NSHDSACASA-N 1 2 351.359 0.505 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000543392204 490931469 /nfs/dbraw/zinc/93/14/69/490931469.db2.gz REZVUFGEOFMGJL-CQSZACIVSA-N 1 2 373.369 0.955 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000589512853 491763253 /nfs/dbraw/zinc/76/32/53/491763253.db2.gz CZNFVPWJEAMPTO-MRXNPFEDSA-N 1 2 362.342 0.555 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000589512853 491763255 /nfs/dbraw/zinc/76/32/55/491763255.db2.gz CZNFVPWJEAMPTO-MRXNPFEDSA-N 1 2 362.342 0.555 10 5 FCBELO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000595757876 491952611 /nfs/dbraw/zinc/95/26/11/491952611.db2.gz BXXFMGSHKFGAKP-TZMCWYRMSA-N 1 2 373.431 0.300 10 5 FCBELO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000595757876 491952612 /nfs/dbraw/zinc/95/26/12/491952612.db2.gz BXXFMGSHKFGAKP-TZMCWYRMSA-N 1 2 373.431 0.300 10 5 FCBELO O=C(NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596482039 491987533 /nfs/dbraw/zinc/98/75/33/491987533.db2.gz DIRYCKGBLKMJAB-GOSISDBHSA-N 1 2 374.397 0.916 10 5 FCBELO O=C(NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596482039 491987535 /nfs/dbraw/zinc/98/75/35/491987535.db2.gz DIRYCKGBLKMJAB-GOSISDBHSA-N 1 2 374.397 0.916 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598607939 492108273 /nfs/dbraw/zinc/10/82/73/492108273.db2.gz OQTSDIHYPBBMMH-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598607939 492108275 /nfs/dbraw/zinc/10/82/75/492108275.db2.gz OQTSDIHYPBBMMH-LBPRGKRZSA-N 1 2 357.432 0.899 10 5 FCBELO NC(=O)c1ccc(SCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000598941920 492126029 /nfs/dbraw/zinc/12/60/29/492126029.db2.gz HUSDJGDQLLVZLI-SNVBAGLBSA-N 1 2 361.383 0.723 10 5 FCBELO CN(C)S(=O)(=O)N1CC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599086466 492134000 /nfs/dbraw/zinc/13/40/00/492134000.db2.gz NXZFFLMTEGNILY-OAHLLOKOSA-N 1 2 368.459 0.996 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000599204674 492141699 /nfs/dbraw/zinc/14/16/99/492141699.db2.gz DHAAPXREAPQTGZ-CYBMUJFWSA-N 1 2 365.415 0.881 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000599204674 492141701 /nfs/dbraw/zinc/14/17/01/492141701.db2.gz DHAAPXREAPQTGZ-CYBMUJFWSA-N 1 2 365.415 0.881 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000599208299 492141980 /nfs/dbraw/zinc/14/19/80/492141980.db2.gz SDCCPCYYQFZSNE-UHFFFAOYSA-N 1 2 352.376 0.234 10 5 FCBELO COC(=O)[C@](C)(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599644186 492196188 /nfs/dbraw/zinc/19/61/88/492196188.db2.gz TZACLARUNPWLAD-NVXWUHKLSA-N 1 2 367.402 0.266 10 5 FCBELO C[C@@H](CO)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000611235305 492282532 /nfs/dbraw/zinc/28/25/32/492282532.db2.gz JKMMXXAVSLZXDY-GFCCVEGCSA-N 1 2 357.432 0.749 10 5 FCBELO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611272406 492283691 /nfs/dbraw/zinc/28/36/91/492283691.db2.gz HMKYCYNOXHTHLW-NSHDSACASA-N 1 2 357.388 0.490 10 5 FCBELO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611272406 492283692 /nfs/dbraw/zinc/28/36/92/492283692.db2.gz HMKYCYNOXHTHLW-NSHDSACASA-N 1 2 357.388 0.490 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000181917659 546843161 /nfs/dbraw/zinc/84/31/61/546843161.db2.gz YSELXOFXOBRAOP-OAHLLOKOSA-N 1 2 369.443 0.775 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000181917659 546843166 /nfs/dbraw/zinc/84/31/66/546843166.db2.gz YSELXOFXOBRAOP-OAHLLOKOSA-N 1 2 369.443 0.775 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000593551621 546973982 /nfs/dbraw/zinc/97/39/82/546973982.db2.gz BOHYLGVQNYFYQL-GFCCVEGCSA-N 1 2 356.404 0.333 10 5 FCBELO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593555240 546975024 /nfs/dbraw/zinc/97/50/24/546975024.db2.gz DAGXRTUNXMDZRI-UHFFFAOYSA-N 1 2 358.420 0.721 10 5 FCBELO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594742105 547003654 /nfs/dbraw/zinc/00/36/54/547003654.db2.gz JIQFWVIHVVNURH-RYUDHWBXSA-N 1 2 358.420 0.767 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000917061356 667050280 /nfs/dbraw/zinc/05/02/80/667050280.db2.gz HJBRUGWAGFVTMK-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000917061356 667050287 /nfs/dbraw/zinc/05/02/87/667050287.db2.gz HJBRUGWAGFVTMK-CQSZACIVSA-N 1 2 368.459 0.880 10 5 FCBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CO)COC(C)(C)OC2)c1 ZINC000844325524 670918369 /nfs/dbraw/zinc/91/83/69/670918369.db2.gz ZCYSUICJJLPCQX-UHFFFAOYSA-N 1 2 354.359 0.985 10 5 FCBELO CN1C(=O)[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001648899767 1169101995 /nfs/dbraw/zinc/10/19/95/1169101995.db2.gz VCHULYJUBUUDJN-TXEJJXNPSA-N 1 2 369.337 0.467 10 5 FCBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000551031724 1193828699 /nfs/dbraw/zinc/82/86/99/1193828699.db2.gz BXFYDNRKUTYUED-LBPRGKRZSA-N 1 2 357.370 0.881 10 5 FCBELO COCCOCC[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000593517953 1196801722 /nfs/dbraw/zinc/80/17/22/1196801722.db2.gz LWHGFYSTXPUMOX-UHFFFAOYSA-N 1 2 368.390 0.561 10 5 FCBELO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853521649 1209596271 /nfs/dbraw/zinc/59/62/71/1209596271.db2.gz DMQHDCXGSFSPBY-NSHDSACASA-N 1 2 356.342 0.762 10 5 FCBELO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853521649 1209596273 /nfs/dbraw/zinc/59/62/73/1209596273.db2.gz DMQHDCXGSFSPBY-NSHDSACASA-N 1 2 356.342 0.762 10 5 FCBELO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888906 1209767531 /nfs/dbraw/zinc/76/75/31/1209767531.db2.gz GEJVXWWHLYJFCA-NSHDSACASA-N 1 2 360.326 0.732 10 5 FCBELO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988188 1209772690 /nfs/dbraw/zinc/77/26/90/1209772690.db2.gz GXFWCLBNJMPWQM-LLVKDONJSA-N 1 2 357.326 0.778 10 5 FCBELO Cc1cc(N2CCN(C(=O)Cn3ncc([N+](=O)[O-])n3)CC2)nc(C(C)C)[nH+]1 ZINC000863374640 1209940707 /nfs/dbraw/zinc/94/07/07/1209940707.db2.gz VNMDKFNCPLJHQL-UHFFFAOYSA-N 1 2 374.405 0.757 10 5 FCBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870058133 1210101718 /nfs/dbraw/zinc/10/17/18/1210101718.db2.gz IQUFDCDVYSBOCN-HNNXBMFYSA-N 1 2 367.377 0.836 10 5 FCBELO CN(C(=O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001473777136 1261496815 /nfs/dbraw/zinc/49/68/15/1261496815.db2.gz XGNNTVYVWICGJM-GFCCVEGCSA-N 1 2 370.431 0.429 10 5 FCBELO CN(C(=O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001473777136 1261496818 /nfs/dbraw/zinc/49/68/18/1261496818.db2.gz XGNNTVYVWICGJM-GFCCVEGCSA-N 1 2 370.431 0.429 10 5 FCBELO Cc1noc(C[NH2+]CCCOC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001282582436 1261540386 /nfs/dbraw/zinc/54/03/86/1261540386.db2.gz WNIRQNUHUXXTRO-ZIAGYGMSSA-N 1 2 367.406 0.531 10 5 FCBELO O=C(CCc1[nH]cc[nH+]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001286041144 1261906751 /nfs/dbraw/zinc/90/67/51/1261906751.db2.gz VFIZCAONTMOFJT-CHWSQXEVSA-N 1 2 363.418 0.943 10 5 FCBELO Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH+]1 ZINC001290049686 1262374648 /nfs/dbraw/zinc/37/46/48/1262374648.db2.gz LIJSAHGKKHNRAA-XJFOESAGSA-N 1 2 363.418 0.603 10 5 FCBELO CCc1nc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)no1 ZINC001484862569 1263490565 /nfs/dbraw/zinc/49/05/65/1263490565.db2.gz ISUADVVIYAJMEK-GHMZBOCLSA-N 1 2 353.379 0.052 10 5 FCBELO O=C(NC1(CCO)C[NH+](Cc2cccc3cccnc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485405683 1263503947 /nfs/dbraw/zinc/50/39/47/1263503947.db2.gz PQPRYKJJHJQTBG-HZPDHXFCSA-N 1 2 370.409 0.953 10 5 FCBELO CC(C)=C(F)C(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001493134398 1263704980 /nfs/dbraw/zinc/70/49/80/1263704980.db2.gz RSIDWKYCVOBRPP-CHWSQXEVSA-N 1 2 356.398 0.566 10 5 FCBELO CC(F)(F)CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001524052596 1266679767 /nfs/dbraw/zinc/67/97/67/1266679767.db2.gz SGPNCZLBCZATQJ-VXGBXAGGSA-N 1 2 362.377 0.347 10 5 FCBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001560125507 1269189170 /nfs/dbraw/zinc/18/91/70/1269189170.db2.gz CMSQEZCSPXCXNM-NWDGAFQWSA-N 1 2 370.431 0.793 10 5 FCBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001560125507 1269189175 /nfs/dbraw/zinc/18/91/75/1269189175.db2.gz CMSQEZCSPXCXNM-NWDGAFQWSA-N 1 2 370.431 0.793 10 5 FCBELO O=C1NC[C@H](O)CC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001560195918 1269195678 /nfs/dbraw/zinc/19/56/78/1269195678.db2.gz OEQYAISHJGINFP-GFCCVEGCSA-N 1 2 359.386 0.934 10 5 FCBELO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001566710161 1269658334 /nfs/dbraw/zinc/65/83/34/1269658334.db2.gz LFRNMFLLMYZPMU-AWEZNQCLSA-N 1 2 373.369 0.981 10 5 FCBELO CC(C)N(CCN(C)C(=O)CCc1[nH+]ccn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001572507404 1270083172 /nfs/dbraw/zinc/08/31/72/1270083172.db2.gz AEZXZROIQJPYDO-ZIAGYGMSSA-N 1 2 365.434 0.713 10 5 FCBELO Cn1c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2ccccc2c1=O ZINC001716292698 1287375111 /nfs/dbraw/zinc/37/51/11/1287375111.db2.gz PASKNSNRZZBTMF-BCBDKAHJSA-N 1 2 371.397 0.361 10 5 FCBELO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ncnn2CCF)CC1 ZINC001716883654 1287392418 /nfs/dbraw/zinc/39/24/18/1287392418.db2.gz CEKOEEXXYBMSDJ-CHWSQXEVSA-N 1 2 368.413 0.631 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382704 1282402426 /nfs/dbraw/zinc/40/24/26/1282402426.db2.gz BWKADHVJRDFMBN-HOTGVXAUSA-N 1 2 360.414 0.979 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001635382704 1282402430 /nfs/dbraw/zinc/40/24/30/1282402430.db2.gz BWKADHVJRDFMBN-HOTGVXAUSA-N 1 2 360.414 0.979 10 5 FCBELO O=C(CCn1cc[nH+]c1)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001718977221 1287602246 /nfs/dbraw/zinc/60/22/46/1287602246.db2.gz ASSPHMVHDUJGMU-HUUCEWRRSA-N 1 2 361.402 0.603 10 5 FCBELO Cc1[nH+]ccn1CCCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001720399461 1288229581 /nfs/dbraw/zinc/22/95/81/1288229581.db2.gz ZVWGZUWKTYBYCH-HUUCEWRRSA-N 1 2 363.418 0.744 10 5 FCBELO O=C(NCC=CC[NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732848975 1288595542 /nfs/dbraw/zinc/59/55/42/1288595542.db2.gz BVDJMWNYTASNAB-GRKXQCETSA-N 1 2 363.399 0.824 10 5 FCBELO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001626101781 1290375819 /nfs/dbraw/zinc/37/58/19/1290375819.db2.gz SSSNHQORXLIUST-UHFFFAOYSA-N 1 2 373.797 0.583 10 5 FCBELO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC001628390452 1290531143 /nfs/dbraw/zinc/53/11/43/1290531143.db2.gz RRYMWIJGSFCMMF-IUODEOHRSA-N 1 2 364.402 0.537 10 5 FCBELO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC001628390452 1290531149 /nfs/dbraw/zinc/53/11/49/1290531149.db2.gz RRYMWIJGSFCMMF-IUODEOHRSA-N 1 2 364.402 0.537 10 5 FCBELO COc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC001630599661 1290680121 /nfs/dbraw/zinc/68/01/21/1290680121.db2.gz QEUIUNHFXXUQGB-JTQLQIEISA-N 1 2 350.331 0.809 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001652705324 1291294723 /nfs/dbraw/zinc/29/47/23/1291294723.db2.gz AKTYLZFUUVSQGA-GFCCVEGCSA-N 1 2 350.306 0.900 10 5 FCBELO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001652705324 1291294727 /nfs/dbraw/zinc/29/47/27/1291294727.db2.gz AKTYLZFUUVSQGA-GFCCVEGCSA-N 1 2 350.306 0.900 10 5 FCBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001654632917 1291422616 /nfs/dbraw/zinc/42/26/16/1291422616.db2.gz DZBZNKABXFNWGT-UWVGGRQHSA-N 1 2 361.362 0.933 10 5 FCBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001654632917 1291422620 /nfs/dbraw/zinc/42/26/20/1291422620.db2.gz DZBZNKABXFNWGT-UWVGGRQHSA-N 1 2 361.362 0.933 10 5 FCBELO O=C1[C@@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001655749425 1291483278 /nfs/dbraw/zinc/48/32/78/1291483278.db2.gz VJNYFIRWLQQFJY-ZOWXZIJZSA-N 1 2 365.411 0.677 10 5 FCBELO O=C1[C@@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001655749425 1291483282 /nfs/dbraw/zinc/48/32/82/1291483282.db2.gz VJNYFIRWLQQFJY-ZOWXZIJZSA-N 1 2 365.411 0.677 10 5 FCBELO COc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001663179856 1291748230 /nfs/dbraw/zinc/74/82/30/1291748230.db2.gz DTCLYLCMKJSODD-ZIAGYGMSSA-N 1 2 350.375 0.347 10 5 FCBELO COc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001663179856 1291748232 /nfs/dbraw/zinc/74/82/32/1291748232.db2.gz DTCLYLCMKJSODD-ZIAGYGMSSA-N 1 2 350.375 0.347 10 5 FCBELO CCC(CC)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001666821403 1291923505 /nfs/dbraw/zinc/92/35/05/1291923505.db2.gz PFQBXRYXXATGNC-HUUCEWRRSA-N 1 2 366.462 0.881 10 5 FCBELO C[N@H+](CC(=O)Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001676049399 1292193010 /nfs/dbraw/zinc/19/30/10/1292193010.db2.gz HLSLJAAZHJBUTQ-VXGBXAGGSA-N 1 2 367.431 0.670 10 5 FCBELO C[N@@H+](CC(=O)Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001676049399 1292193015 /nfs/dbraw/zinc/19/30/15/1292193015.db2.gz HLSLJAAZHJBUTQ-VXGBXAGGSA-N 1 2 367.431 0.670 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC001118873461 847613827 /nfs/dbraw/zinc/61/38/27/847613827.db2.gz RYPKXPCAZVNYJA-LLVKDONJSA-N 1 2 368.419 0.705 10 5 FCBELO CNc1nccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001167470155 850544803 /nfs/dbraw/zinc/54/48/03/850544803.db2.gz JVUMJSPOUOBOPT-UHFFFAOYSA-N 1 2 351.363 0.210 10 5 FCBELO CNc1nccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001167470155 850544815 /nfs/dbraw/zinc/54/48/15/850544815.db2.gz JVUMJSPOUOBOPT-UHFFFAOYSA-N 1 2 351.363 0.210 10 5 FCBELO COc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC001167469991 850545158 /nfs/dbraw/zinc/54/51/58/850545158.db2.gz FNVYUKDFIOSYCM-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO COc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC001167469991 850545163 /nfs/dbraw/zinc/54/51/63/850545163.db2.gz FNVYUKDFIOSYCM-UHFFFAOYSA-N 1 2 351.359 0.782 10 5 FCBELO Cn1cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])n1 ZINC001170711613 850661956 /nfs/dbraw/zinc/66/19/56/850661956.db2.gz OGULZXVEAGNSOW-UHFFFAOYSA-N 1 2 369.403 0.487 10 5 FCBELO Cn1cc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])n1 ZINC001170711613 850661962 /nfs/dbraw/zinc/66/19/62/850661962.db2.gz OGULZXVEAGNSOW-UHFFFAOYSA-N 1 2 369.403 0.487 10 5 FCBELO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1=O ZINC001197021236 853050753 /nfs/dbraw/zinc/05/07/53/853050753.db2.gz RZLYMQXWQNHMQP-AOOOYVTPSA-N 1 2 366.761 0.733 10 5 FCBELO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1=O ZINC001197021236 853050755 /nfs/dbraw/zinc/05/07/55/853050755.db2.gz RZLYMQXWQNHMQP-AOOOYVTPSA-N 1 2 366.761 0.733 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(CC(F)(F)F)no1 ZINC001265842867 859467021 /nfs/dbraw/zinc/46/70/21/859467021.db2.gz MWJKKEOCOGSSME-RKDXNWHRSA-N 1 2 365.312 0.778 10 5 FCBELO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(CC(F)(F)F)no1 ZINC001265842867 859467029 /nfs/dbraw/zinc/46/70/29/859467029.db2.gz MWJKKEOCOGSSME-RKDXNWHRSA-N 1 2 365.312 0.778 10 5 FCBELO CCn1cc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001319019219 867807748 /nfs/dbraw/zinc/80/77/48/867807748.db2.gz POJYGIPUHPRUEO-HUUCEWRRSA-N 1 2 350.423 0.682 10 5 FCBELO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295420419 214295993 /nfs/dbraw/zinc/29/59/93/214295993.db2.gz NJUGELKMBMGGAA-OIISXLGYSA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295420419 214295996 /nfs/dbraw/zinc/29/59/96/214295996.db2.gz NJUGELKMBMGGAA-OIISXLGYSA-N 1 2 351.403 0.739 10 5 FCBELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245460181 209368159 /nfs/dbraw/zinc/36/81/59/209368159.db2.gz VPVXHHBBQJEHCB-VXGBXAGGSA-N 1 2 366.403 0.712 10 5 FCBELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245460181 209368161 /nfs/dbraw/zinc/36/81/61/209368161.db2.gz VPVXHHBBQJEHCB-VXGBXAGGSA-N 1 2 366.403 0.712 10 5 FCBELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000246216225 209381640 /nfs/dbraw/zinc/38/16/40/209381640.db2.gz SZIPNBOVWDJDPK-QWRGUYRKSA-N 1 2 361.395 0.810 10 5 FCBELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000246216225 209381644 /nfs/dbraw/zinc/38/16/44/209381644.db2.gz SZIPNBOVWDJDPK-QWRGUYRKSA-N 1 2 361.395 0.810 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000368829874 216303226 /nfs/dbraw/zinc/30/32/26/216303226.db2.gz MYPXAAMUBQWEPD-UHFFFAOYSA-N 1 2 363.418 0.311 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000368829874 216303228 /nfs/dbraw/zinc/30/32/28/216303228.db2.gz MYPXAAMUBQWEPD-UHFFFAOYSA-N 1 2 363.418 0.311 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275901559 212115628 /nfs/dbraw/zinc/11/56/28/212115628.db2.gz PTUGOSAGDSDGLN-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275901559 212115630 /nfs/dbraw/zinc/11/56/30/212115630.db2.gz PTUGOSAGDSDGLN-NWDGAFQWSA-N 1 2 373.431 0.679 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374809078 217177055 /nfs/dbraw/zinc/17/70/55/217177055.db2.gz HFNNPPZRNMANFZ-UHFFFAOYSA-N 1 2 353.354 0.210 10 5 FCBELO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374809078 217177059 /nfs/dbraw/zinc/17/70/59/217177059.db2.gz HFNNPPZRNMANFZ-UHFFFAOYSA-N 1 2 353.354 0.210 10 5 FCBELO COC(=O)c1cc(C)nc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000376404155 217395057 /nfs/dbraw/zinc/39/50/57/217395057.db2.gz VEQVDHZZGXYHEU-GFCCVEGCSA-N 1 2 350.375 0.996 10 5 FCBELO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000425289271 247315986 /nfs/dbraw/zinc/31/59/86/247315986.db2.gz CVKWHWPYAKIOMS-RYUDHWBXSA-N 1 2 355.366 0.647 10 5 FCBELO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000438994021 248105525 /nfs/dbraw/zinc/10/55/25/248105525.db2.gz CWGPTVBHPNAZAL-CQSZACIVSA-N 1 2 364.402 0.470 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270602925 211232324 /nfs/dbraw/zinc/23/23/24/211232324.db2.gz CXDSGARZUIZZND-VHSXEESVSA-N 1 2 351.363 0.673 10 5 FCBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270602925 211232328 /nfs/dbraw/zinc/23/23/28/211232328.db2.gz CXDSGARZUIZZND-VHSXEESVSA-N 1 2 351.363 0.673 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000269760599 211068374 /nfs/dbraw/zinc/06/83/74/211068374.db2.gz CAGRKDRKEXGZBU-GFCCVEGCSA-N 1 2 373.431 0.681 10 5 FCBELO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000116888678 208337420 /nfs/dbraw/zinc/33/74/20/208337420.db2.gz MOSJWSVBRKDWPO-LLVKDONJSA-N 1 2 367.387 0.768 10 5 FCBELO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000116888678 208337425 /nfs/dbraw/zinc/33/74/25/208337425.db2.gz MOSJWSVBRKDWPO-LLVKDONJSA-N 1 2 367.387 0.768 10 5 FCBELO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000278891465 488902996 /nfs/dbraw/zinc/90/29/96/488902996.db2.gz OGEDCLNQEFOJSC-MRXNPFEDSA-N 1 2 362.342 0.474 10 5 FCBELO O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000278891465 488903001 /nfs/dbraw/zinc/90/30/01/488903001.db2.gz OGEDCLNQEFOJSC-MRXNPFEDSA-N 1 2 362.342 0.474 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279150287 488920516 /nfs/dbraw/zinc/92/05/16/488920516.db2.gz YPZFWKKZMKNQEC-INIZCTEOSA-N 1 2 361.358 0.516 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279150287 488920518 /nfs/dbraw/zinc/92/05/18/488920518.db2.gz YPZFWKKZMKNQEC-INIZCTEOSA-N 1 2 361.358 0.516 10 5 FCBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000064030749 488310579 /nfs/dbraw/zinc/31/05/79/488310579.db2.gz ZQZKOMHUVQUGCX-UHFFFAOYSA-N 1 2 365.415 0.798 10 5 FCBELO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066000226 488323959 /nfs/dbraw/zinc/32/39/59/488323959.db2.gz NPYFGRATTBDASF-UHFFFAOYSA-N 1 2 362.433 0.145 10 5 FCBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000184679458 488396792 /nfs/dbraw/zinc/39/67/92/488396792.db2.gz OEZFQGMOTHRHRF-DOTOQJQBSA-N 1 2 365.430 0.973 10 5 FCBELO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185015072 488399006 /nfs/dbraw/zinc/39/90/06/488399006.db2.gz GIZDLLSVKGTIPA-WCQYABFASA-N 1 2 355.366 0.647 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C ZINC000249468537 488510122 /nfs/dbraw/zinc/51/01/22/488510122.db2.gz RDGBDHSPDOOKON-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C ZINC000249468537 488510125 /nfs/dbraw/zinc/51/01/25/488510125.db2.gz RDGBDHSPDOOKON-ZDUSSCGKSA-N 1 2 357.432 0.899 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000123304900 488584154 /nfs/dbraw/zinc/58/41/54/488584154.db2.gz DYSHEBOTPMFFNH-CYBMUJFWSA-N 1 2 357.432 0.980 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000563059109 491210953 /nfs/dbraw/zinc/21/09/53/491210953.db2.gz MXPMDWACWLXTDZ-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000563059109 491210954 /nfs/dbraw/zinc/21/09/54/491210954.db2.gz MXPMDWACWLXTDZ-GFCCVEGCSA-N 1 2 357.432 0.844 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000273023767 488626298 /nfs/dbraw/zinc/62/62/98/488626298.db2.gz CEJVXRNZFSTOHK-JTQLQIEISA-N 1 2 368.371 0.945 10 5 FCBELO CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000273200621 488637667 /nfs/dbraw/zinc/63/76/67/488637667.db2.gz SHMOIGZIADIYDX-UHFFFAOYSA-N 1 2 357.388 0.708 10 5 FCBELO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000273605036 488662040 /nfs/dbraw/zinc/66/20/40/488662040.db2.gz PXUJUKNHUMMDRO-UHFFFAOYSA-N 1 2 370.369 0.981 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000155070292 488750311 /nfs/dbraw/zinc/75/03/11/488750311.db2.gz OSGRWJNLEYOFEB-AWEZNQCLSA-N 1 2 357.432 0.813 10 5 FCBELO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172752314 488837623 /nfs/dbraw/zinc/83/76/23/488837623.db2.gz LNZFMQVGGIFIHP-OAHLLOKOSA-N 1 2 372.385 0.722 10 5 FCBELO O=C(C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289389531 489063822 /nfs/dbraw/zinc/06/38/22/489063822.db2.gz JXLZYTTVEMSJEH-GFCCVEGCSA-N 1 2 372.385 0.775 10 5 FCBELO O=C(C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289389531 489063825 /nfs/dbraw/zinc/06/38/25/489063825.db2.gz JXLZYTTVEMSJEH-GFCCVEGCSA-N 1 2 372.385 0.775 10 5 FCBELO O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000366416763 489179081 /nfs/dbraw/zinc/17/90/81/489179081.db2.gz STAZCCSEUOOSGZ-UHFFFAOYSA-N 1 2 356.346 0.871 10 5 FCBELO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298283334 489311643 /nfs/dbraw/zinc/31/16/43/489311643.db2.gz OCAURXYKUDIUHJ-UHFFFAOYSA-N 1 2 370.431 0.379 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000452105714 489546551 /nfs/dbraw/zinc/54/65/51/489546551.db2.gz MSBALOJFJCJSTR-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000452105714 489546552 /nfs/dbraw/zinc/54/65/52/489546552.db2.gz MSBALOJFJCJSTR-LLVKDONJSA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000372333739 489572351 /nfs/dbraw/zinc/57/23/51/489572351.db2.gz PCMWVJITNRMUGA-LLVKDONJSA-N 1 2 373.369 0.730 10 5 FCBELO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000372333739 489572353 /nfs/dbraw/zinc/57/23/53/489572353.db2.gz PCMWVJITNRMUGA-LLVKDONJSA-N 1 2 373.369 0.730 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)cc1[N+](=O)[O-] ZINC000416385759 489587951 /nfs/dbraw/zinc/58/79/51/489587951.db2.gz GYZMORZDPGUKNA-ZDUSSCGKSA-N 1 2 356.448 0.736 10 5 FCBELO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)cc1[N+](=O)[O-] ZINC000416385759 489587953 /nfs/dbraw/zinc/58/79/53/489587953.db2.gz GYZMORZDPGUKNA-ZDUSSCGKSA-N 1 2 356.448 0.736 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416655815 489622146 /nfs/dbraw/zinc/62/21/46/489622146.db2.gz DORCGKPZYAWVQY-OLZOCXBDSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000416655815 489622149 /nfs/dbraw/zinc/62/21/49/489622149.db2.gz DORCGKPZYAWVQY-OLZOCXBDSA-N 1 2 357.432 0.812 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416661768 489623349 /nfs/dbraw/zinc/62/33/49/489623349.db2.gz JYBLSQAASRABNS-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416661768 489623353 /nfs/dbraw/zinc/62/33/53/489623353.db2.gz JYBLSQAASRABNS-RYUDHWBXSA-N 1 2 373.431 0.679 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416664477 489624280 /nfs/dbraw/zinc/62/42/80/489624280.db2.gz NDKKQBMPMDHFEE-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416664477 489624281 /nfs/dbraw/zinc/62/42/81/489624281.db2.gz NDKKQBMPMDHFEE-STQMWFEESA-N 1 2 357.432 0.979 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416672682 489626111 /nfs/dbraw/zinc/62/61/11/489626111.db2.gz ZDKPTTZRMVAYSB-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416672682 489626113 /nfs/dbraw/zinc/62/61/13/489626113.db2.gz ZDKPTTZRMVAYSB-NEPJUHHUSA-N 1 2 373.431 0.679 10 5 FCBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459647659 489745554 /nfs/dbraw/zinc/74/55/54/489745554.db2.gz OFASNCBMXJCWHJ-INIZCTEOSA-N 1 2 353.375 0.751 10 5 FCBELO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459647659 489745558 /nfs/dbraw/zinc/74/55/58/489745558.db2.gz OFASNCBMXJCWHJ-INIZCTEOSA-N 1 2 353.375 0.751 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000494348843 489885519 /nfs/dbraw/zinc/88/55/19/489885519.db2.gz MYQQWJHECQRDQQ-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000494348843 489885522 /nfs/dbraw/zinc/88/55/22/489885522.db2.gz MYQQWJHECQRDQQ-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)ncn1 ZINC000461351827 489904502 /nfs/dbraw/zinc/90/45/02/489904502.db2.gz QGFXMPHWXWEFPM-UHFFFAOYSA-N 1 2 372.385 0.815 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000392466916 490152034 /nfs/dbraw/zinc/15/20/34/490152034.db2.gz BFGJYELBRBAZTA-UHFFFAOYSA-N 1 2 354.344 0.556 10 5 FCBELO Cn1ccnc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1=O ZINC000467164063 490262001 /nfs/dbraw/zinc/26/20/01/490262001.db2.gz GINFYIVLAIVFMV-UHFFFAOYSA-N 1 2 372.385 0.110 10 5 FCBELO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])S(N)(=O)=O ZINC000447809143 490278066 /nfs/dbraw/zinc/27/80/66/490278066.db2.gz XJFVOMJGPAVKBV-LLVKDONJSA-N 1 2 358.420 0.516 10 5 FCBELO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484567751 490441542 /nfs/dbraw/zinc/44/15/42/490441542.db2.gz ONQSAOKQVJLRHT-WBVHZDCISA-N 1 2 362.386 0.932 10 5 FCBELO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484567751 490441551 /nfs/dbraw/zinc/44/15/51/490441551.db2.gz ONQSAOKQVJLRHT-WBVHZDCISA-N 1 2 362.386 0.932 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[NH+](CC[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000450223195 490451644 /nfs/dbraw/zinc/45/16/44/490451644.db2.gz JZGUDPQFQHBWPP-GFCCVEGCSA-N 1 2 373.431 0.681 10 5 FCBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(CCO)CC[NH+]1CCOCC1 ZINC000486662560 490657116 /nfs/dbraw/zinc/65/71/16/490657116.db2.gz GZPLSMSQMNWHCT-UHFFFAOYSA-N 1 2 373.356 0.569 10 5 FCBELO Cc1cn2cc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000540303019 490815018 /nfs/dbraw/zinc/81/50/18/490815018.db2.gz FYURJPVHKBNRSJ-UHFFFAOYSA-N 1 2 357.330 0.502 10 5 FCBELO COC(=O)c1cc(OC[C@H](O)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000516775470 490877494 /nfs/dbraw/zinc/87/74/94/490877494.db2.gz QPRYTQDCUJFMLY-GFCCVEGCSA-N 1 2 353.375 0.369 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1=O ZINC000542157134 490887851 /nfs/dbraw/zinc/88/78/51/490887851.db2.gz UHWJTWULQNBENR-ZDUSSCGKSA-N 1 2 358.358 0.644 10 5 FCBELO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1=O ZINC000544012536 490954999 /nfs/dbraw/zinc/95/49/99/490954999.db2.gz BPIHMYSNRNHMKF-NSHDSACASA-N 1 2 360.374 0.588 10 5 FCBELO CNc1nccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000567247515 491494323 /nfs/dbraw/zinc/49/43/23/491494323.db2.gz ITENOQZCDMDIGG-ZDUSSCGKSA-N 1 2 363.418 1.358 10 5 FCBELO COC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000584533632 491601648 /nfs/dbraw/zinc/60/16/48/491601648.db2.gz HNKKTVWSMGIXOQ-LBPRGKRZSA-N 1 2 353.375 0.369 10 5 FCBELO Cn1nccc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581310857 491768165 /nfs/dbraw/zinc/76/81/65/491768165.db2.gz RIIZXRZNXJYSNZ-CYBMUJFWSA-N 1 2 354.388 0.425 10 5 FCBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000590541090 491778362 /nfs/dbraw/zinc/77/83/62/491778362.db2.gz CIGHIAGAFDPJEO-AWEZNQCLSA-N 1 2 367.402 0.481 10 5 FCBELO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370848 491924853 /nfs/dbraw/zinc/92/48/53/491924853.db2.gz JYDLAXHUTXWAGG-AAEUAGOBSA-N 1 2 366.374 0.971 10 5 FCBELO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370848 491924854 /nfs/dbraw/zinc/92/48/54/491924854.db2.gz JYDLAXHUTXWAGG-AAEUAGOBSA-N 1 2 366.374 0.971 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000599210132 492142726 /nfs/dbraw/zinc/14/27/26/492142726.db2.gz HDKRMNHQTYHKBO-UHFFFAOYSA-N 1 2 366.403 0.802 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000599299616 492156600 /nfs/dbraw/zinc/15/66/00/492156600.db2.gz LGNXKFXUEZZSJV-LBPRGKRZSA-N 1 2 373.435 0.061 10 5 FCBELO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000599300034 492157132 /nfs/dbraw/zinc/15/71/32/492157132.db2.gz LGNXKFXUEZZSJV-GFCCVEGCSA-N 1 2 373.435 0.061 10 5 FCBELO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599397209 492167906 /nfs/dbraw/zinc/16/79/06/492167906.db2.gz WRCRGSCPWRHESQ-VIFPVBQESA-N 1 2 362.433 0.274 10 5 FCBELO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599397209 492167907 /nfs/dbraw/zinc/16/79/07/492167907.db2.gz WRCRGSCPWRHESQ-VIFPVBQESA-N 1 2 362.433 0.274 10 5 FCBELO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000609479003 492209117 /nfs/dbraw/zinc/20/91/17/492209117.db2.gz GBNZIYZTUXNLRU-LLVKDONJSA-N 1 2 351.359 0.505 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615166 492254886 /nfs/dbraw/zinc/25/48/86/492254886.db2.gz LQGFJDJXGYILFC-GFCCVEGCSA-N 1 2 370.431 0.889 10 5 FCBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615166 492254887 /nfs/dbraw/zinc/25/48/87/492254887.db2.gz LQGFJDJXGYILFC-GFCCVEGCSA-N 1 2 370.431 0.889 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187271490 534409106 /nfs/dbraw/zinc/40/91/06/534409106.db2.gz KGILYMSAJBCTBS-CYBMUJFWSA-N 1 2 359.386 0.919 10 5 FCBELO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187271490 534409115 /nfs/dbraw/zinc/40/91/15/534409115.db2.gz KGILYMSAJBCTBS-CYBMUJFWSA-N 1 2 359.386 0.919 10 5 FCBELO COc1ncncc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592367292 546948501 /nfs/dbraw/zinc/94/85/01/546948501.db2.gz OHCCKUJJGCZZAK-UHFFFAOYSA-N 1 2 352.372 0.957 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000593589011 546979553 /nfs/dbraw/zinc/97/95/53/546979553.db2.gz QIFYOXNSTINOAQ-LLVKDONJSA-N 1 2 358.420 0.456 10 5 FCBELO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000593589011 546979556 /nfs/dbraw/zinc/97/95/56/546979556.db2.gz QIFYOXNSTINOAQ-LLVKDONJSA-N 1 2 358.420 0.456 10 5 FCBELO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000594758820 547005855 /nfs/dbraw/zinc/00/58/55/547005855.db2.gz MZBSXGMRENDMNA-GFCCVEGCSA-N 1 2 356.404 0.333 10 5 FCBELO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772260 547008291 /nfs/dbraw/zinc/00/82/91/547008291.db2.gz XITAYHRNQUAKNZ-NSHDSACASA-N 1 2 358.420 0.456 10 5 FCBELO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772260 547008295 /nfs/dbraw/zinc/00/82/95/547008295.db2.gz XITAYHRNQUAKNZ-NSHDSACASA-N 1 2 358.420 0.456 10 5 FCBELO COC(=O)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC000549611111 547017220 /nfs/dbraw/zinc/01/72/20/547017220.db2.gz UWCUUMJVQKRDRH-UHFFFAOYSA-N 1 2 372.399 0.901 10 5 FCBELO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc([N+](=O)[O-])nc1 ZINC000905026575 666003537 /nfs/dbraw/zinc/00/35/37/666003537.db2.gz RVRBWTUJUCIOLA-KGLIPLIRSA-N 1 2 350.375 0.832 10 5 FCBELO CNS(=O)(=O)CCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838100109 667920098 /nfs/dbraw/zinc/92/00/98/667920098.db2.gz CAKNSUCJTFHPRU-UHFFFAOYSA-N 1 2 368.371 0.877 10 5 FCBELO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)c1 ZINC000838784289 667955274 /nfs/dbraw/zinc/95/52/74/667955274.db2.gz SUYYMSRUEYIDJO-HNNXBMFYSA-N 1 2 355.416 0.672 10 5 FCBELO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCOC[C@@H]1CCO ZINC000767594112 668056516 /nfs/dbraw/zinc/05/65/16/668056516.db2.gz ROBZAXIMTXEIAP-ZDUSSCGKSA-N 1 2 351.359 0.976 10 5 FCBELO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC[C@@H]1CCO ZINC000767594112 668056519 /nfs/dbraw/zinc/05/65/19/668056519.db2.gz ROBZAXIMTXEIAP-ZDUSSCGKSA-N 1 2 351.359 0.976 10 5 FCBELO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844748488 670940109 /nfs/dbraw/zinc/94/01/09/670940109.db2.gz TTZKERNAJJPKGL-DZNAWHIJSA-N 1 2 351.384 0.695 10 5 FCBELO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844748488 670940111 /nfs/dbraw/zinc/94/01/11/670940111.db2.gz TTZKERNAJJPKGL-DZNAWHIJSA-N 1 2 351.384 0.695 10 5 FCBELO COC(CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000851714518 671462935 /nfs/dbraw/zinc/46/29/35/671462935.db2.gz RZQUYDDEQWUPDY-UHFFFAOYSA-N 1 2 373.431 0.910 10 5 FCBELO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc21 ZINC000857979807 671747523 /nfs/dbraw/zinc/74/75/23/671747523.db2.gz QESLYZFEVJTYLQ-SNVBAGLBSA-N 1 2 365.371 0.331 10 5 FCBELO Cc1ccccc1CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001267680669 1182866714 /nfs/dbraw/zinc/86/67/14/1182866714.db2.gz TYIJRXODCQJVIQ-HZPDHXFCSA-N 1 2 360.414 0.324 10 5 FCBELO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1ccccc1 ZINC001268825349 1187785040 /nfs/dbraw/zinc/78/50/40/1187785040.db2.gz PTYMUSNAJAPGSD-HZPDHXFCSA-N 1 2 360.414 0.059 10 5 FCBELO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@@H]1CO ZINC000913546849 1196451876 /nfs/dbraw/zinc/45/18/76/1196451876.db2.gz ZGEOQDGPAYHUKI-CYBMUJFWSA-N 1 2 364.402 0.180 10 5 FCBELO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@@H]1CO ZINC000913546849 1196451884 /nfs/dbraw/zinc/45/18/84/1196451884.db2.gz ZGEOQDGPAYHUKI-CYBMUJFWSA-N 1 2 364.402 0.180 10 5 FCBELO C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1CO ZINC000913554504 1196607890 /nfs/dbraw/zinc/60/78/90/1196607890.db2.gz FZSQDLWSKMMVNS-HNNXBMFYSA-N 1 2 362.430 0.946 10 5 FCBELO C[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1CO ZINC000913554504 1196607895 /nfs/dbraw/zinc/60/78/95/1196607895.db2.gz FZSQDLWSKMMVNS-HNNXBMFYSA-N 1 2 362.430 0.946 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001195721960 1208037386 /nfs/dbraw/zinc/03/73/86/1208037386.db2.gz SGBAFKWRPSIABI-ZDUSSCGKSA-N 1 2 362.390 0.270 10 5 FCBELO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857992585 1209772520 /nfs/dbraw/zinc/77/25/20/1209772520.db2.gz ZTDBFTLATIWCIW-JTQLQIEISA-N 1 2 355.310 0.649 10 5 FCBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CCOCC1CC1)CCO2 ZINC001274868361 1211135109 /nfs/dbraw/zinc/13/51/09/1211135109.db2.gz YBKGFHIDQQBEHL-HZPDHXFCSA-N 1 2 367.446 0.772 10 5 FCBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCOCC1CC1)CCO2 ZINC001274868361 1211135112 /nfs/dbraw/zinc/13/51/12/1211135112.db2.gz YBKGFHIDQQBEHL-HZPDHXFCSA-N 1 2 367.446 0.772 10 5 FCBELO COC(=O)[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586322 1219649968 /nfs/dbraw/zinc/64/99/68/1219649968.db2.gz WDAKGOGCDGTZLX-NSHDSACASA-N 1 2 362.342 0.816 10 5 FCBELO COC(=O)[C@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586322 1219649975 /nfs/dbraw/zinc/64/99/75/1219649975.db2.gz WDAKGOGCDGTZLX-NSHDSACASA-N 1 2 362.342 0.816 10 5 FCBELO Cc1cc(NC[C@@]2(CO)COCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164158673 1223235726 /nfs/dbraw/zinc/23/57/26/1223235726.db2.gz UCBRMBXRCRQLIK-GOSISDBHSA-N 1 2 373.413 0.887 10 5 FCBELO Cc1cc(NC[C@@]2(CO)COCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164158673 1223235729 /nfs/dbraw/zinc/23/57/29/1223235729.db2.gz UCBRMBXRCRQLIK-GOSISDBHSA-N 1 2 373.413 0.887 10 5 FCBELO CONC(=O)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001473772804 1261496580 /nfs/dbraw/zinc/49/65/80/1261496580.db2.gz LYTQDDMAQDBSFF-UHFFFAOYSA-N 1 2 366.374 0.932 10 5 FCBELO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001283539447 1261689123 /nfs/dbraw/zinc/68/91/23/1261689123.db2.gz QYMIJRRGMOAFHM-IUODEOHRSA-N 1 2 363.418 0.392 10 5 FCBELO CC(C)N(CCN(C)C(=O)CCc1c[nH+]cn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001288167703 1262009153 /nfs/dbraw/zinc/00/91/53/1262009153.db2.gz UIQNIWYWUMHNTH-HUUCEWRRSA-N 1 2 365.434 0.713 10 5 FCBELO O=C(NCC1([NH2+]Cc2nnc(C3CC3)[nH]2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484182526 1263457712 /nfs/dbraw/zinc/45/77/12/1263457712.db2.gz ZOIYBEHHGIHCSY-VXGBXAGGSA-N 1 2 364.406 0.102 10 5 FCBELO Cc1c[nH+]cn1CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486767471 1263552776 /nfs/dbraw/zinc/55/27/76/1263552776.db2.gz MHNSYBSTNBLSTR-CHWSQXEVSA-N 1 2 351.407 0.458 10 5 FCBELO CC/C=C(/C)C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001493125203 1263703302 /nfs/dbraw/zinc/70/33/02/1263703302.db2.gz JOCVPLYNLVWJNT-RZAHBXAWSA-N 1 2 352.435 0.658 10 5 FCBELO CN(CCC[N@H+](C)CC(=O)Nc1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502193076 1264162721 /nfs/dbraw/zinc/16/27/21/1264162721.db2.gz PLQUFAVVQISXJS-GHMZBOCLSA-N 1 2 355.420 0.527 10 5 FCBELO CN(CCC[N@@H+](C)CC(=O)Nc1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502193076 1264162728 /nfs/dbraw/zinc/16/27/28/1264162728.db2.gz PLQUFAVVQISXJS-GHMZBOCLSA-N 1 2 355.420 0.527 10 5 FCBELO CC(C)c1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001502869547 1264183260 /nfs/dbraw/zinc/18/32/60/1264183260.db2.gz UOENONVYRXNWAY-CHWSQXEVSA-N 1 2 366.418 0.906 10 5 FCBELO Cc1c[nH+]c2cc(C(=O)NCC3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)ccn12 ZINC001506074597 1264288378 /nfs/dbraw/zinc/28/83/78/1264288378.db2.gz NRHAYRAWWSRBNV-CHWSQXEVSA-N 1 2 357.370 0.687 10 5 FCBELO COCC(COC)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001535971043 1267312210 /nfs/dbraw/zinc/31/22/10/1267312210.db2.gz ZTHGSAKPSYYGNE-UHFFFAOYSA-N 1 2 352.391 0.717 10 5 FCBELO CCCc1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1[N+](=O)[O-] ZINC001546046423 1267632563 /nfs/dbraw/zinc/63/25/63/1267632563.db2.gz BKZCSZGZGQUKNK-LBPRGKRZSA-N 1 2 365.390 0.780 10 5 FCBELO CCn1ncnc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569700148 1269798620 /nfs/dbraw/zinc/79/86/20/1269798620.db2.gz PVTSYSJUBPKVPX-CHWSQXEVSA-N 1 2 350.423 0.682 10 5 FCBELO Cc1c[nH]cc1C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001577834811 1274947753 /nfs/dbraw/zinc/94/77/53/1274947753.db2.gz WHWSYSIGJCHICD-UKRRQHHQSA-N 1 2 363.418 0.252 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1(C2CC2)CC1 ZINC001577834367 1274948495 /nfs/dbraw/zinc/94/84/95/1274948495.db2.gz FWEBSRCZRZVHOM-HUUCEWRRSA-N 1 2 364.446 0.492 10 5 FCBELO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccccc1F ZINC001712946558 1287259342 /nfs/dbraw/zinc/25/93/42/1287259342.db2.gz ZJJRNMSJIBCNTN-BXUZGUMPSA-N 1 2 352.366 0.868 10 5 FCBELO O=C(NC1(C[NH2+]Cc2noc3c2COCC3)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714132919 1287312735 /nfs/dbraw/zinc/31/27/35/1287312735.db2.gz FGHVPVNHWRDZCL-BXUZGUMPSA-N 1 2 364.402 0.931 10 5 FCBELO CC(C)N(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCC1 ZINC001714965371 1287339852 /nfs/dbraw/zinc/33/98/52/1287339852.db2.gz VLJLBAHYBOBVCO-HZPDHXFCSA-N 1 2 366.462 0.879 10 5 FCBELO O=C(NCC1(O)C[NH+](CCCOc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716936114 1287397808 /nfs/dbraw/zinc/39/78/08/1287397808.db2.gz CMHMTEFYPYRVRE-HUUCEWRRSA-N 1 2 367.377 0.423 10 5 FCBELO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001642422820 1283007554 /nfs/dbraw/zinc/00/75/54/1283007554.db2.gz XJTQZVPNEIDJNH-AWEZNQCLSA-N 1 2 356.342 0.977 10 5 FCBELO Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001703985200 1286167898 /nfs/dbraw/zinc/16/78/98/1286167898.db2.gz HIDJKRAEDHWKAN-SSZWKKLZSA-N 1 2 361.402 0.210 10 5 FCBELO O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC001705035340 1286338915 /nfs/dbraw/zinc/33/89/15/1286338915.db2.gz PUDXRDFCFMZQOG-PKUCDIRRSA-N 1 2 369.381 0.940 10 5 FCBELO O=C(Cc1cn2c([nH+]1)CCCC2)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001705263168 1286363946 /nfs/dbraw/zinc/36/39/46/1286363946.db2.gz IRRYQMRZYDQEKS-CHWSQXEVSA-N 1 2 361.402 0.192 10 5 FCBELO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001737797715 1289588101 /nfs/dbraw/zinc/58/81/01/1289588101.db2.gz LMYOMGOTVCHRSC-CHWSQXEVSA-N 1 2 351.407 0.557 10 5 FCBELO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001611080991 1289628710 /nfs/dbraw/zinc/62/87/10/1289628710.db2.gz KJGWAYVTKQSESB-GFCCVEGCSA-N 1 2 350.331 0.205 10 5 FCBELO Cn1c[nH+]cc1CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001738208992 1289644812 /nfs/dbraw/zinc/64/48/12/1289644812.db2.gz KOOWCWDPDOVOMZ-HUUCEWRRSA-N 1 2 363.418 0.373 10 5 FCBELO COC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001617974415 1289875987 /nfs/dbraw/zinc/87/59/87/1289875987.db2.gz LDWAJGGXOKQCAW-MRXNPFEDSA-N 1 2 353.375 0.873 10 5 FCBELO COC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001617974415 1289876000 /nfs/dbraw/zinc/87/60/00/1289876000.db2.gz LDWAJGGXOKQCAW-MRXNPFEDSA-N 1 2 353.375 0.873 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001620463825 1289990924 /nfs/dbraw/zinc/99/09/24/1289990924.db2.gz VWZJEUYMZRDCOF-SMDDNHRTSA-N 1 2 353.375 0.607 10 5 FCBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001620463825 1289990933 /nfs/dbraw/zinc/99/09/33/1289990933.db2.gz VWZJEUYMZRDCOF-SMDDNHRTSA-N 1 2 353.375 0.607 10 5 FCBELO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 ZINC001624483330 1290275580 /nfs/dbraw/zinc/27/55/80/1290275580.db2.gz RRHVDLKXJGRPKU-HNNXBMFYSA-N 1 2 374.401 0.512 10 5 FCBELO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 ZINC001624483330 1290275587 /nfs/dbraw/zinc/27/55/87/1290275587.db2.gz RRHVDLKXJGRPKU-HNNXBMFYSA-N 1 2 374.401 0.512 10 5 FCBELO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001627086380 1290436594 /nfs/dbraw/zinc/43/65/94/1290436594.db2.gz XFSQTICZNWEJMN-UHFFFAOYSA-N 1 2 369.769 0.752 10 5 FCBELO CCN1CC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001654008240 1291388233 /nfs/dbraw/zinc/38/82/33/1291388233.db2.gz LEUUIRZAHZVNJZ-ZDUSSCGKSA-N 1 2 370.431 0.426 10 5 FCBELO CCN1CC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001654008240 1291388243 /nfs/dbraw/zinc/38/82/43/1291388243.db2.gz LEUUIRZAHZVNJZ-ZDUSSCGKSA-N 1 2 370.431 0.426 10 5 FCBELO O=C(Cc1ccco1)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001687873077 1293022022 /nfs/dbraw/zinc/02/20/22/1293022022.db2.gz XGPZUKBHUPYFLH-HUUCEWRRSA-N 1 2 364.402 0.138 10 5 FCBELO CS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001141653428 849403721 /nfs/dbraw/zinc/40/37/21/849403721.db2.gz BJWCQVMRRTWRRR-GFCCVEGCSA-N 1 2 371.415 0.185 10 5 FCBELO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC([NH2+]C2COC2)C1 ZINC001164221379 850397994 /nfs/dbraw/zinc/39/79/94/850397994.db2.gz XHCOEUBZCUANGH-UHFFFAOYSA-N 1 2 363.342 0.768 10 5 FCBELO CCN(C(C)=O)c1nc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001266696403 859488280 /nfs/dbraw/zinc/48/82/80/859488280.db2.gz HOCKCYFFNJHQJK-CHWSQXEVSA-N 1 2 369.447 0.729 10 5 FCBELO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1ccsc1 ZINC001267680865 859513834 /nfs/dbraw/zinc/51/38/34/859513834.db2.gz ZQIZIQNJNGIFAE-ZIAGYGMSSA-N 1 2 366.443 0.120 10 5 FCBELO CCCCOCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001328116120 871235121 /nfs/dbraw/zinc/23/51/21/871235121.db2.gz INMBZQCQRJPOLL-HZPDHXFCSA-N 1 2 354.451 0.297 10 5 FCBELO COC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000264870243 210003429 /nfs/dbraw/zinc/00/34/29/210003429.db2.gz VRPMDUIWKSXSFN-CQSZACIVSA-N 1 2 373.431 0.217 10 5 FCBELO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000283859171 213021906 /nfs/dbraw/zinc/02/19/06/213021906.db2.gz DCSJVIFKUBLGKD-HNNXBMFYSA-N 1 2 357.432 0.918 10 5 FCBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](O)Cn1ccnn1 ZINC000413430098 237331007 /nfs/dbraw/zinc/33/10/07/237331007.db2.gz CYGUKZGPJXLFJS-AWEZNQCLSA-N 1 2 362.390 0.492 10 5 FCBELO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000368831714 216303847 /nfs/dbraw/zinc/30/38/47/216303847.db2.gz XWEIGFUEWUKTBH-ZDUSSCGKSA-N 1 2 363.418 0.676 10 5 FCBELO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000368831714 216303849 /nfs/dbraw/zinc/30/38/49/216303849.db2.gz XWEIGFUEWUKTBH-ZDUSSCGKSA-N 1 2 363.418 0.676 10 5 FCBELO Cc1nc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc[nH+]1 ZINC000184939055 209169611 /nfs/dbraw/zinc/16/96/11/209169611.db2.gz DLXRUPFUPKWFJH-UHFFFAOYSA-N 1 2 358.358 0.204 10 5 FCBELO Cc1cn2c([nH+]1)CN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2 ZINC000374660936 217154790 /nfs/dbraw/zinc/15/47/90/217154790.db2.gz GSIKFEQYBGLLSC-UHFFFAOYSA-N 1 2 369.337 0.738 10 5 FCBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181691240 209120957 /nfs/dbraw/zinc/12/09/57/209120957.db2.gz CMUMVPDNYGSFQT-AWEZNQCLSA-N 1 2 365.415 0.972 10 5 FCBELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000181688684 209119837 /nfs/dbraw/zinc/11/98/37/209119837.db2.gz OCPWWINUWROLQK-LBPRGKRZSA-N 1 2 369.378 0.803 10 5 FCBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425289650 247314755 /nfs/dbraw/zinc/31/47/55/247314755.db2.gz DKARNAHSHGPJBU-CVEARBPZSA-N 1 2 365.430 0.973 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180042873 209091065 /nfs/dbraw/zinc/09/10/65/209091065.db2.gz VIJMEKZNRXEZNE-HNNXBMFYSA-N 1 2 371.459 0.856 10 5 FCBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279001014 488910185 /nfs/dbraw/zinc/91/01/85/488910185.db2.gz CUHVRJAXXXNOOU-MGPLVRAMSA-N 1 2 361.358 0.596 10 5 FCBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279001014 488910186 /nfs/dbraw/zinc/91/01/86/488910186.db2.gz CUHVRJAXXXNOOU-MGPLVRAMSA-N 1 2 361.358 0.596 10 5 FCBELO COc1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])cc1F ZINC000279063673 488913886 /nfs/dbraw/zinc/91/38/86/488913886.db2.gz LXAMNOSVXGETBC-HNNXBMFYSA-N 1 2 352.322 0.917 10 5 FCBELO COc1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])cc1F ZINC000279063673 488913888 /nfs/dbraw/zinc/91/38/88/488913888.db2.gz LXAMNOSVXGETBC-HNNXBMFYSA-N 1 2 352.322 0.917 10 5 FCBELO CCOC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000364361672 488951423 /nfs/dbraw/zinc/95/14/23/488951423.db2.gz LRAQPSUOXDUVDU-UHFFFAOYSA-N 1 2 351.363 0.164 10 5 FCBELO CCOC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000364361672 488951425 /nfs/dbraw/zinc/95/14/25/488951425.db2.gz LRAQPSUOXDUVDU-UHFFFAOYSA-N 1 2 351.363 0.164 10 5 FCBELO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000057770726 488275878 /nfs/dbraw/zinc/27/58/78/488275878.db2.gz JPEQZTPBQJJILX-HNNXBMFYSA-N 1 2 360.370 0.512 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000248374158 488495223 /nfs/dbraw/zinc/49/52/23/488495223.db2.gz OEAMTSSUVWDIBH-HUUCEWRRSA-N 1 2 362.386 0.932 10 5 FCBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000248374158 488495225 /nfs/dbraw/zinc/49/52/25/488495225.db2.gz OEAMTSSUVWDIBH-HUUCEWRRSA-N 1 2 362.386 0.932 10 5 FCBELO COCC[N@@H+]1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000116884803 488549783 /nfs/dbraw/zinc/54/97/83/488549783.db2.gz HJKDNNSRGIWALB-LLVKDONJSA-N 1 2 374.419 0.001 10 5 FCBELO COCC[N@H+]1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000116884803 488549784 /nfs/dbraw/zinc/54/97/84/488549784.db2.gz HJKDNNSRGIWALB-LLVKDONJSA-N 1 2 374.419 0.001 10 5 FCBELO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000123258616 488584291 /nfs/dbraw/zinc/58/42/91/488584291.db2.gz HIAOQBXNCYRTJM-NSHDSACASA-N 1 2 361.395 0.811 10 5 FCBELO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000123258898 488584371 /nfs/dbraw/zinc/58/43/71/488584371.db2.gz HIAOQBXNCYRTJM-LLVKDONJSA-N 1 2 361.395 0.811 10 5 FCBELO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000273142740 488634358 /nfs/dbraw/zinc/63/43/58/488634358.db2.gz KJCLLTMCNLUUQF-UHFFFAOYSA-N 1 2 369.399 0.850 10 5 FCBELO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230404 488857821 /nfs/dbraw/zinc/85/78/21/488857821.db2.gz WFNPPWJRLVBSAB-CQSZACIVSA-N 1 2 364.450 0.856 10 5 FCBELO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230404 488857822 /nfs/dbraw/zinc/85/78/22/488857822.db2.gz WFNPPWJRLVBSAB-CQSZACIVSA-N 1 2 364.450 0.856 10 5 FCBELO CN(C(=O)C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280925656 489040862 /nfs/dbraw/zinc/04/08/62/489040862.db2.gz GSXGOKQITRADQP-UHFFFAOYSA-N 1 2 360.374 0.849 10 5 FCBELO COc1cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000452098191 489545111 /nfs/dbraw/zinc/54/51/11/489545111.db2.gz ADZPCXVUVMTDBI-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000452098191 489545114 /nfs/dbraw/zinc/54/51/14/489545114.db2.gz ADZPCXVUVMTDBI-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000452105172 489547146 /nfs/dbraw/zinc/54/71/46/489547146.db2.gz LKVRJEYJXXRHNA-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000452105172 489547148 /nfs/dbraw/zinc/54/71/48/489547148.db2.gz LKVRJEYJXXRHNA-NSHDSACASA-N 1 2 359.404 0.291 10 5 FCBELO COc1ccc(C(=O)NCC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000372333740 489572367 /nfs/dbraw/zinc/57/23/67/489572367.db2.gz PCMWVJITNRMUGA-NSHDSACASA-N 1 2 373.369 0.730 10 5 FCBELO COc1ccc(C(=O)NCC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000372333740 489572371 /nfs/dbraw/zinc/57/23/71/489572371.db2.gz PCMWVJITNRMUGA-NSHDSACASA-N 1 2 373.369 0.730 10 5 FCBELO CC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000416360377 489584544 /nfs/dbraw/zinc/58/45/44/489584544.db2.gz KNTDDYQHPYAIRG-UHFFFAOYSA-N 1 2 357.388 0.708 10 5 FCBELO Cc1cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c(C)cc1[N+](=O)[O-] ZINC000416458810 489595672 /nfs/dbraw/zinc/59/56/72/489595672.db2.gz QUHZANGLJLQCMK-UHFFFAOYSA-N 1 2 357.432 0.900 10 5 FCBELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416669667 489625421 /nfs/dbraw/zinc/62/54/21/489625421.db2.gz SBYVMMKBWAPDGZ-CHWSQXEVSA-N 1 2 357.432 0.812 10 5 FCBELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416669667 489625423 /nfs/dbraw/zinc/62/54/23/489625423.db2.gz SBYVMMKBWAPDGZ-CHWSQXEVSA-N 1 2 357.432 0.812 10 5 FCBELO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000432922780 489859341 /nfs/dbraw/zinc/85/93/41/489859341.db2.gz BPUTXVDOMLZBJZ-HNNXBMFYSA-N 1 2 357.432 0.918 10 5 FCBELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000378389677 490059118 /nfs/dbraw/zinc/05/91/18/490059118.db2.gz SKVPGIOPWFLKNZ-HUUCEWRRSA-N 1 2 364.406 0.576 10 5 FCBELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000378389677 490059122 /nfs/dbraw/zinc/05/91/22/490059122.db2.gz SKVPGIOPWFLKNZ-HUUCEWRRSA-N 1 2 364.406 0.576 10 5 FCBELO CNS(=O)(=O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000532731440 490101910 /nfs/dbraw/zinc/10/19/10/490101910.db2.gz VDJYCAKOVDBXRS-UHFFFAOYSA-N 1 2 370.431 0.292 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408016273 490208435 /nfs/dbraw/zinc/20/84/35/490208435.db2.gz JCYJZOLHYQXTMU-GJZGRUSLSA-N 1 2 355.416 0.830 10 5 FCBELO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408016273 490208445 /nfs/dbraw/zinc/20/84/45/490208445.db2.gz JCYJZOLHYQXTMU-GJZGRUSLSA-N 1 2 355.416 0.830 10 5 FCBELO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000509179021 490400290 /nfs/dbraw/zinc/40/02/90/490400290.db2.gz AFXHJNORELPYNU-LLVKDONJSA-N 1 2 350.375 0.618 10 5 FCBELO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000509179021 490400297 /nfs/dbraw/zinc/40/02/97/490400297.db2.gz AFXHJNORELPYNU-LLVKDONJSA-N 1 2 350.375 0.618 10 5 FCBELO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486793610 490671913 /nfs/dbraw/zinc/67/19/13/490671913.db2.gz XSBPPROPVLSALR-LBPRGKRZSA-N 1 2 373.356 0.567 10 5 FCBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000518428531 490940913 /nfs/dbraw/zinc/94/09/13/490940913.db2.gz UEHPXRJMEWSQDV-UHFFFAOYSA-N 1 2 350.375 0.081 10 5 FCBELO CN(Cc1[nH]cc[nH+]1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518942958 490956050 /nfs/dbraw/zinc/95/60/50/490956050.db2.gz JWUPEIZNIPUIOZ-UHFFFAOYSA-N 1 2 367.387 0.645 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600680101 491875129 /nfs/dbraw/zinc/87/51/29/491875129.db2.gz CWJSJBYWDKHOOL-CYBMUJFWSA-N 1 2 374.401 0.906 10 5 FCBELO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600680101 491875131 /nfs/dbraw/zinc/87/51/31/491875131.db2.gz CWJSJBYWDKHOOL-CYBMUJFWSA-N 1 2 374.401 0.906 10 5 FCBELO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600836637 491886166 /nfs/dbraw/zinc/88/61/66/491886166.db2.gz BIHVJIQAZRYKER-AWEZNQCLSA-N 1 2 373.369 0.721 10 5 FCBELO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600836637 491886167 /nfs/dbraw/zinc/88/61/67/491886167.db2.gz BIHVJIQAZRYKER-AWEZNQCLSA-N 1 2 373.369 0.721 10 5 FCBELO Cc1cn2c([nH+]1)CN(C(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)CC2 ZINC000611893913 491881014 /nfs/dbraw/zinc/88/10/14/491881014.db2.gz FDHFHSBHXQANKS-UHFFFAOYSA-N 1 2 371.353 0.868 10 5 FCBELO CO[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595657338 491946559 /nfs/dbraw/zinc/94/65/59/491946559.db2.gz AVICFKCFCYYMKB-HNNXBMFYSA-N 1 2 358.416 0.842 10 5 FCBELO CO[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595657338 491946562 /nfs/dbraw/zinc/94/65/62/491946562.db2.gz AVICFKCFCYYMKB-HNNXBMFYSA-N 1 2 358.416 0.842 10 5 FCBELO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000595791892 491953766 /nfs/dbraw/zinc/95/37/66/491953766.db2.gz 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COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595804853 491954642 /nfs/dbraw/zinc/95/46/42/491954642.db2.gz IEZOGABRWWZVRW-SUMWQHHRSA-N 1 2 368.386 0.989 10 5 FCBELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595804853 491954646 /nfs/dbraw/zinc/95/46/46/491954646.db2.gz IEZOGABRWWZVRW-SUMWQHHRSA-N 1 2 368.386 0.989 10 5 FCBELO C[N@@H+]1CCO[C@@H](CSc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598631503 492110821 /nfs/dbraw/zinc/11/08/21/492110821.db2.gz UYAQEXWWDFCYFW-LLVKDONJSA-N 1 2 355.420 0.644 10 5 FCBELO C[N@H+]1CCO[C@@H](CSc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598631503 492110823 /nfs/dbraw/zinc/11/08/23/492110823.db2.gz UYAQEXWWDFCYFW-LLVKDONJSA-N 1 2 355.420 0.644 10 5 FCBELO C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000599257126 492149716 /nfs/dbraw/zinc/14/97/16/492149716.db2.gz MODJKNINSPGEDW-QWRGUYRKSA-N 1 2 354.392 0.797 10 5 FCBELO COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 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O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC001501852364 1264146263 /nfs/dbraw/zinc/14/62/63/1264146263.db2.gz PRGRDISYSPTHJL-PKUCDIRRSA-N 1 2 369.381 0.940 10 5 FCBELO CC(C)(C)n1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)nn1 ZINC001501950944 1264157386 /nfs/dbraw/zinc/15/73/86/1264157386.db2.gz SAIIJFYPZAAOGH-CHWSQXEVSA-N 1 2 350.423 0.827 10 5 FCBELO Cc1[nH+]ccn1CCCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001523179914 1266612066 /nfs/dbraw/zinc/61/20/66/1266612066.db2.gz JHYNBVMLNQPKTQ-HUUCEWRRSA-N 1 2 363.418 0.698 10 5 FCBELO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001535333341 1267290615 /nfs/dbraw/zinc/29/06/15/1267290615.db2.gz GBFCGNWSAGSBPV-PWSUYJOCSA-N 1 2 364.383 0.943 10 5 FCBELO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001542971723 1267516291 /nfs/dbraw/zinc/51/62/91/1267516291.db2.gz JQOOVPBFAIILCB-UHFFFAOYSA-N 1 2 373.406 0.973 10 5 FCBELO 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/nfs/dbraw/zinc/22/26/53/1291222653.db2.gz VNEGVVSVNCYNGS-UHFFFAOYSA-N 1 2 350.375 0.640 10 5 FCBELO O=C(CC[NH+]1CCN(Cc2nnc[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001654926787 1291445479 /nfs/dbraw/zinc/44/54/79/1291445479.db2.gz GKFVOCYZYFNJHK-UHFFFAOYSA-N 1 2 359.390 0.859 10 5 FCBELO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC001141478261 849398236 /nfs/dbraw/zinc/39/82/36/849398236.db2.gz RHWIKOLYCLUOGZ-UHFFFAOYSA-N 1 2 354.338 0.442 10 5 FCBELO NS(=O)(=O)CC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291890417 214063135 /nfs/dbraw/zinc/06/31/35/214063135.db2.gz JNABDIDWJQCVFR-UHFFFAOYSA-N 1 2 365.415 0.554 10 5 FCBELO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295457673 214299021 /nfs/dbraw/zinc/29/90/21/214299021.db2.gz PZAKXDDPSILMOZ-ZQIUZPCESA-N 1 2 351.403 0.739 10 5 FCBELO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295457673 214299026 /nfs/dbraw/zinc/29/90/26/214299026.db2.gz PZAKXDDPSILMOZ-ZQIUZPCESA-N 1 2 351.403 0.739 10 5 FCBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308168 210092461 /nfs/dbraw/zinc/09/24/61/210092461.db2.gz PBMSJDGUUFNHGW-RYUDHWBXSA-N 1 2 370.431 0.854 10 5 FCBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308168 210092466 /nfs/dbraw/zinc/09/24/66/210092466.db2.gz PBMSJDGUUFNHGW-RYUDHWBXSA-N 1 2 370.431 0.854 10 5 FCBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308166 210092102 /nfs/dbraw/zinc/09/21/02/210092102.db2.gz PBMSJDGUUFNHGW-NEPJUHHUSA-N 1 2 370.431 0.854 10 5 FCBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265308166 210092105 /nfs/dbraw/zinc/09/21/05/210092105.db2.gz PBMSJDGUUFNHGW-NEPJUHHUSA-N 1 2 370.431 0.854 10 5 FCBELO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284133122 213080795 /nfs/dbraw/zinc/08/07/95/213080795.db2.gz CVXLPCSCXMEFLF-CABCVRRESA-N 1 2 355.416 0.830 10 5 FCBELO 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O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001641140539 1282925277 /nfs/dbraw/zinc/92/52/77/1282925277.db2.gz CIPFDUNONPWDMD-ZDUSSCGKSA-N 1 2 353.342 0.786 10 5 FCBELO O=C(NC1(CCO)C[NH+](Cc2ccc3ncccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734071165 1288640880 /nfs/dbraw/zinc/64/08/80/1288640880.db2.gz RZSYHKADHBKMCO-NVXWUHKLSA-N 1 2 370.409 0.953 10 5 FCBELO O=C(NCCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737331406 1289530993 /nfs/dbraw/zinc/53/09/93/1289530993.db2.gz NWGPMAIZSJMQEU-HZPDHXFCSA-N 1 2 366.462 0.882 10 5 FCBELO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001737369070 1289537908 /nfs/dbraw/zinc/53/79/08/1289537908.db2.gz BZOLIKTVZOUBBX-HUUCEWRRSA-N 1 2 363.418 0.847 10 5 FCBELO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@@H+]1CCO ZINC001617186991 1289821512 /nfs/dbraw/zinc/82/15/12/1289821512.db2.gz RALOIOWDRHNGAV-LBPRGKRZSA-N 1 2 365.386 0.895 10 5 FCBELO 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