smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccs3)CC2)cs1 ZINC000121462402 185803587 /nfs/dbraw/zinc/80/35/87/185803587.db2.gz ZBAHVCDISUVZDW-UHFFFAOYSA-N 1 2 309.416 3.040 10 5 DGBELO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180429966 432085776 /nfs/dbraw/zinc/08/57/76/432085776.db2.gz LTIOWUXNUJMQQX-NSHDSACASA-N 1 2 301.346 3.312 10 5 DGBELO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171364953 432126208 /nfs/dbraw/zinc/12/62/08/432126208.db2.gz HCGSXYHTCHVKJK-GFCCVEGCSA-N 1 2 316.336 3.067 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182067896 285113539 /nfs/dbraw/zinc/11/35/39/285113539.db2.gz JTKKNBMABMCXDD-GJZGRUSLSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182067896 285113543 /nfs/dbraw/zinc/11/35/43/285113543.db2.gz JTKKNBMABMCXDD-GJZGRUSLSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCc3ccc(F)cc31)CC2 ZINC000612469090 400550375 /nfs/dbraw/zinc/55/03/75/400550375.db2.gz KGBFOJBUSVTSLS-QGZVFWFLSA-N 1 2 313.332 3.175 10 5 DGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCc3ccc(F)cc31)CC2 ZINC000612469090 400550380 /nfs/dbraw/zinc/55/03/80/400550380.db2.gz KGBFOJBUSVTSLS-QGZVFWFLSA-N 1 2 313.332 3.175 10 5 DGBELO CCc1noc([C@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000090068498 401253338 /nfs/dbraw/zinc/25/33/38/401253338.db2.gz WBBOFUWABKODKE-GWCFXTLKSA-N 1 2 304.350 3.342 10 5 DGBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185866980 165019272 /nfs/dbraw/zinc/01/92/72/165019272.db2.gz RISCEKGIJUGWQD-UHFFFAOYSA-N 1 2 320.352 3.342 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247554139 432241674 /nfs/dbraw/zinc/24/16/74/432241674.db2.gz SVDFKSAHPLKSDU-HIFRSBDPSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247554139 432241678 /nfs/dbraw/zinc/24/16/78/432241678.db2.gz SVDFKSAHPLKSDU-HIFRSBDPSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070167 431238680 /nfs/dbraw/zinc/23/86/80/431238680.db2.gz YFOLAONNQOPJEW-CQSZACIVSA-N 1 2 304.733 3.472 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)ccc1Br ZINC000706738252 660870090 /nfs/dbraw/zinc/87/00/90/660870090.db2.gz LLZRJQUFJUGYJC-CMPLNLGQSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)ccc1Br ZINC000706738252 660870091 /nfs/dbraw/zinc/87/00/91/660870091.db2.gz LLZRJQUFJUGYJC-CMPLNLGQSA-N 1 2 311.179 3.342 10 5 DGBELO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000063858921 659418142 /nfs/dbraw/zinc/41/81/42/659418142.db2.gz ZFUFAGAJBLLNLW-INIZCTEOSA-N 1 2 300.362 3.203 10 5 DGBELO Cc1ccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000063858921 659418143 /nfs/dbraw/zinc/41/81/43/659418143.db2.gz ZFUFAGAJBLLNLW-INIZCTEOSA-N 1 2 300.362 3.203 10 5 DGBELO Cc1ccc(Sc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040650388 183113976 /nfs/dbraw/zinc/11/39/76/183113976.db2.gz HATHJOMXVPFEFL-UHFFFAOYSA-N 1 2 313.342 3.030 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609619412 400181298 /nfs/dbraw/zinc/18/12/98/400181298.db2.gz KZAACVDJHPRKBR-UHFFFAOYSA-N 1 2 316.704 3.148 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609970952 400203828 /nfs/dbraw/zinc/20/38/28/400203828.db2.gz UTNJOUMOHVWXID-UHFFFAOYSA-N 1 2 316.704 3.148 10 5 DGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000600205391 401220830 /nfs/dbraw/zinc/22/08/30/401220830.db2.gz QWXFHSJOJYNDIV-WQMJKPAKSA-N 1 2 308.353 3.059 10 5 DGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000600205391 401220835 /nfs/dbraw/zinc/22/08/35/401220835.db2.gz QWXFHSJOJYNDIV-WQMJKPAKSA-N 1 2 308.353 3.059 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172271983 432205946 /nfs/dbraw/zinc/20/59/46/432205946.db2.gz MICIOCWRHXFKAN-CQSZACIVSA-N 1 2 304.325 3.184 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172271983 432205949 /nfs/dbraw/zinc/20/59/49/432205949.db2.gz MICIOCWRHXFKAN-CQSZACIVSA-N 1 2 304.325 3.184 10 5 DGBELO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)C2CCCCC2)cc1 ZINC000191310170 432248902 /nfs/dbraw/zinc/24/89/02/432248902.db2.gz OLMJVPNUSUWUKL-MRXNPFEDSA-N 1 2 315.373 3.400 10 5 DGBELO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116277214 431500785 /nfs/dbraw/zinc/50/07/85/431500785.db2.gz CAPMZKRGAAHPMW-CQSZACIVSA-N 1 2 320.780 3.319 10 5 DGBELO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116277214 431500791 /nfs/dbraw/zinc/50/07/91/431500791.db2.gz CAPMZKRGAAHPMW-CQSZACIVSA-N 1 2 320.780 3.319 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126219298 431945248 /nfs/dbraw/zinc/94/52/48/431945248.db2.gz PKHZPMSQQKKZDH-HNNXBMFYSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126219298 431945250 /nfs/dbraw/zinc/94/52/50/431945250.db2.gz PKHZPMSQQKKZDH-HNNXBMFYSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126219553 431945487 /nfs/dbraw/zinc/94/54/87/431945487.db2.gz PKHZPMSQQKKZDH-OAHLLOKOSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126219553 431945489 /nfs/dbraw/zinc/94/54/89/431945489.db2.gz PKHZPMSQQKKZDH-OAHLLOKOSA-N 1 2 304.371 3.230 10 5 DGBELO CC[C@@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762857 432411610 /nfs/dbraw/zinc/41/16/10/432411610.db2.gz MIEFSYOYHFZIBM-SMDDNHRTSA-N 1 2 316.361 3.201 10 5 DGBELO Cc1ccc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158694861 432655033 /nfs/dbraw/zinc/65/50/33/432655033.db2.gz UXGPTNRMJCFWOJ-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158694861 432655035 /nfs/dbraw/zinc/65/50/35/432655035.db2.gz UXGPTNRMJCFWOJ-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000093864764 193321088 /nfs/dbraw/zinc/32/10/88/193321088.db2.gz JSFZAGFFEGQXFH-QGZVFWFLSA-N 1 2 316.357 3.378 10 5 DGBELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000093864764 193321090 /nfs/dbraw/zinc/32/10/90/193321090.db2.gz JSFZAGFFEGQXFH-QGZVFWFLSA-N 1 2 316.357 3.378 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121329628 195304714 /nfs/dbraw/zinc/30/47/14/195304714.db2.gz FJYMBIMUDZZNFP-LRDDRELGSA-N 1 2 302.330 3.322 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121329628 195304717 /nfs/dbraw/zinc/30/47/17/195304717.db2.gz FJYMBIMUDZZNFP-LRDDRELGSA-N 1 2 302.330 3.322 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000183330425 323334073 /nfs/dbraw/zinc/33/40/73/323334073.db2.gz LWLBCTBQPPYFJX-HNNXBMFYSA-N 1 2 320.389 3.209 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000183330425 323334076 /nfs/dbraw/zinc/33/40/76/323334076.db2.gz LWLBCTBQPPYFJX-HNNXBMFYSA-N 1 2 320.389 3.209 10 5 DGBELO CCc1nc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000441198556 529713939 /nfs/dbraw/zinc/71/39/39/529713939.db2.gz MJOQLLVLYKVAHS-CLFYSBASSA-N 1 2 316.361 3.078 10 5 DGBELO Cc1c(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081567015 192292879 /nfs/dbraw/zinc/29/28/79/192292879.db2.gz DITUNBSHCNZNJL-GFCCVEGCSA-N 1 2 308.378 3.065 10 5 DGBELO Cc1c(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081567015 192292882 /nfs/dbraw/zinc/29/28/82/192292882.db2.gz DITUNBSHCNZNJL-GFCCVEGCSA-N 1 2 308.378 3.065 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000172271989 432206042 /nfs/dbraw/zinc/20/60/42/432206042.db2.gz MICIOCWRHXFKAN-AWEZNQCLSA-N 1 2 304.325 3.184 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000172271989 432206045 /nfs/dbraw/zinc/20/60/45/432206045.db2.gz MICIOCWRHXFKAN-AWEZNQCLSA-N 1 2 304.325 3.184 10 5 DGBELO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000108952581 278075881 /nfs/dbraw/zinc/07/58/81/278075881.db2.gz KWPYIWMOQORVFM-UHFFFAOYSA-N 1 2 300.362 3.014 10 5 DGBELO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070168 431237805 /nfs/dbraw/zinc/23/78/05/431237805.db2.gz YFOLAONNQOPJEW-AWEZNQCLSA-N 1 2 304.733 3.472 10 5 DGBELO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000178939900 288214652 /nfs/dbraw/zinc/21/46/52/288214652.db2.gz RGAZUALEKREGRM-SNVBAGLBSA-N 1 2 318.295 3.224 10 5 DGBELO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000178939900 288214655 /nfs/dbraw/zinc/21/46/55/288214655.db2.gz RGAZUALEKREGRM-SNVBAGLBSA-N 1 2 318.295 3.224 10 5 DGBELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000183389593 432288319 /nfs/dbraw/zinc/28/83/19/432288319.db2.gz LQUDGIUJCATFEY-KRWDZBQOSA-N 1 2 316.357 3.378 10 5 DGBELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000183389593 432288322 /nfs/dbraw/zinc/28/83/22/432288322.db2.gz LQUDGIUJCATFEY-KRWDZBQOSA-N 1 2 316.357 3.378 10 5 DGBELO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184406195 432387775 /nfs/dbraw/zinc/38/77/75/432387775.db2.gz ZNQXZDBZSCCLNO-SNVBAGLBSA-N 1 2 308.309 3.495 10 5 DGBELO CCC1(CC)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185244532 432483205 /nfs/dbraw/zinc/48/32/05/432483205.db2.gz SODIKGVFIGFHSP-XMHCIUCPSA-N 1 2 324.446 3.279 10 5 DGBELO CCC1(CC)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185244532 432483209 /nfs/dbraw/zinc/48/32/09/432483209.db2.gz SODIKGVFIGFHSP-XMHCIUCPSA-N 1 2 324.446 3.279 10 5 DGBELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)n2C)cc1[N+](=O)[O-] ZINC000181836967 199359798 /nfs/dbraw/zinc/35/97/98/199359798.db2.gz UJIHYSIBQONPSH-LBPRGKRZSA-N 1 2 317.393 3.006 10 5 DGBELO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000172178715 198053158 /nfs/dbraw/zinc/05/31/58/198053158.db2.gz SHXZAUGIXHURCO-OAHLLOKOSA-N 1 2 320.780 3.319 10 5 DGBELO Cn1cc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000172178715 198053159 /nfs/dbraw/zinc/05/31/59/198053159.db2.gz SHXZAUGIXHURCO-OAHLLOKOSA-N 1 2 320.780 3.319 10 5 DGBELO COc1cc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)ccc1O ZINC000174540648 198349621 /nfs/dbraw/zinc/34/96/21/198349621.db2.gz RESHUBWJOMDOSB-UHFFFAOYSA-N 1 2 308.359 3.003 10 5 DGBELO COc1cc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)ccc1O ZINC000174540648 198349623 /nfs/dbraw/zinc/34/96/23/198349623.db2.gz RESHUBWJOMDOSB-UHFFFAOYSA-N 1 2 308.359 3.003 10 5 DGBELO O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccncc21 ZINC000267431380 206062655 /nfs/dbraw/zinc/06/26/55/206062655.db2.gz WTVSZMXMOGMCTF-CYBMUJFWSA-N 1 2 323.356 3.009 10 5 DGBELO C[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000190331800 432145751 /nfs/dbraw/zinc/14/57/51/432145751.db2.gz PVERMIPYSHVCGP-JTQLQIEISA-N 1 2 315.358 3.410 10 5 DGBELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255560782 285164236 /nfs/dbraw/zinc/16/42/36/285164236.db2.gz KQBXBFUDNYSNEY-KJJQSCHISA-N 1 2 320.389 3.270 10 5 DGBELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255560782 285164242 /nfs/dbraw/zinc/16/42/42/285164242.db2.gz KQBXBFUDNYSNEY-KJJQSCHISA-N 1 2 320.389 3.270 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cs1 ZINC000289618382 221107004 /nfs/dbraw/zinc/10/70/04/221107004.db2.gz RHNCESOOUWENFF-OCCSQVGLSA-N 1 2 308.403 3.190 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cs1 ZINC000289618382 221107005 /nfs/dbraw/zinc/10/70/05/221107005.db2.gz RHNCESOOUWENFF-OCCSQVGLSA-N 1 2 308.403 3.190 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cc(C)on1 ZINC000470170529 533383416 /nfs/dbraw/zinc/38/34/16/533383416.db2.gz WJPSPQORUPICAY-GHXNOFRVSA-N 1 2 301.346 3.427 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cc(C)on1 ZINC000470170529 533383420 /nfs/dbraw/zinc/38/34/20/533383420.db2.gz WJPSPQORUPICAY-GHXNOFRVSA-N 1 2 301.346 3.427 10 5 DGBELO O=[N+]([O-])c1ccccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000078498794 400805236 /nfs/dbraw/zinc/80/52/36/400805236.db2.gz WRVMYGTZAGHXQE-UHFFFAOYSA-N 1 2 308.341 3.452 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000600205389 401220649 /nfs/dbraw/zinc/22/06/49/401220649.db2.gz QWXFHSJOJYNDIV-RCBBPTIPSA-N 1 2 308.353 3.059 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CCF)C1 ZINC000600205389 401220654 /nfs/dbraw/zinc/22/06/54/401220654.db2.gz QWXFHSJOJYNDIV-RCBBPTIPSA-N 1 2 308.353 3.059 10 5 DGBELO CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(C)[nH+]c1C ZINC000358609721 286106779 /nfs/dbraw/zinc/10/67/79/286106779.db2.gz KQOATTXZUSRCPJ-UHFFFAOYSA-N 1 2 300.314 3.388 10 5 DGBELO CC[C@@H]([NH2+][C@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762888 432411908 /nfs/dbraw/zinc/41/19/08/432411908.db2.gz MIEFSYOYHFZIBM-BXUZGUMPSA-N 1 2 316.361 3.201 10 5 DGBELO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193794156 432499394 /nfs/dbraw/zinc/49/93/94/432499394.db2.gz URGDJHOGUZAFAE-INIZCTEOSA-N 1 2 303.337 3.410 10 5 DGBELO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193794156 432499397 /nfs/dbraw/zinc/49/93/97/432499397.db2.gz URGDJHOGUZAFAE-INIZCTEOSA-N 1 2 303.337 3.410 10 5 DGBELO O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000267345362 432833825 /nfs/dbraw/zinc/83/38/25/432833825.db2.gz FKYNBSPOIFYGHK-LBPRGKRZSA-N 1 2 306.753 3.114 10 5 DGBELO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000185067234 323380558 /nfs/dbraw/zinc/38/05/58/323380558.db2.gz SBDYXVUKEFZQEK-JTQLQIEISA-N 1 2 318.358 3.433 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c1Br ZINC000706734876 660870043 /nfs/dbraw/zinc/87/00/43/660870043.db2.gz AFAQOVULYMMRAA-KOLCDFICSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c1Br ZINC000706734876 660870045 /nfs/dbraw/zinc/87/00/45/660870045.db2.gz AFAQOVULYMMRAA-KOLCDFICSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000047540438 661877946 /nfs/dbraw/zinc/87/79/46/661877946.db2.gz ARNHVYSYCBCQBN-UHFFFAOYSA-N 1 2 315.348 3.056 10 5 DGBELO O=[N+]([O-])c1cc(Cl)c(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000236044253 1202605180 /nfs/dbraw/zinc/60/51/80/1202605180.db2.gz RHYKBMMVOOZORH-GFCCVEGCSA-N 1 2 316.188 3.408 10 5 DGBELO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180429982 432086558 /nfs/dbraw/zinc/08/65/58/432086558.db2.gz LTIOWUXNUJMQQX-LLVKDONJSA-N 1 2 301.346 3.312 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157752828 197212767 /nfs/dbraw/zinc/21/27/67/197212767.db2.gz JRTBSDWHRAZDKF-CQSZACIVSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157752828 197212768 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CC(=O)c1cc(NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000342356200 433636596 /nfs/dbraw/zinc/63/65/96/433636596.db2.gz GDHHJWALZFRJHK-UHFFFAOYSA-N 1 2 316.361 3.262 10 5 DGBELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000093864763 193321320 /nfs/dbraw/zinc/32/13/20/193321320.db2.gz JSFZAGFFEGQXFH-KRWDZBQOSA-N 1 2 316.357 3.378 10 5 DGBELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000093864763 193321322 /nfs/dbraw/zinc/32/13/22/193321322.db2.gz JSFZAGFFEGQXFH-KRWDZBQOSA-N 1 2 316.357 3.378 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246342276 432122010 /nfs/dbraw/zinc/12/20/10/432122010.db2.gz FJYMBIMUDZZNFP-BLLLJJGKSA-N 1 2 302.330 3.322 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246342276 432122013 /nfs/dbraw/zinc/12/20/13/432122013.db2.gz FJYMBIMUDZZNFP-BLLLJJGKSA-N 1 2 302.330 3.322 10 5 DGBELO O=[N+]([O-])c1c(F)cccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171364769 432125747 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CC(C)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357216918 433913068 /nfs/dbraw/zinc/91/30/68/433913068.db2.gz DPAUHGKZNBEEMI-UHFFFAOYSA-N 1 2 321.421 3.275 10 5 DGBELO Cc1nc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)s1 ZINC000536004003 435366383 /nfs/dbraw/zinc/36/63/83/435366383.db2.gz WZCYRNZTNSTLOU-UHFFFAOYSA-N 1 2 303.387 3.226 10 5 DGBELO Cc1nc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)s1 ZINC000536004003 435366385 /nfs/dbraw/zinc/36/63/85/435366385.db2.gz WZCYRNZTNSTLOU-UHFFFAOYSA-N 1 2 303.387 3.226 10 5 DGBELO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000083149188 662194153 /nfs/dbraw/zinc/19/41/53/662194153.db2.gz DYPBPEDVVVHSJJ-LLVKDONJSA-N 1 2 315.329 3.126 10 5 DGBELO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1ccco1 ZINC000162120623 1203178764 /nfs/dbraw/zinc/17/87/64/1203178764.db2.gz FFVKPKRRCBNCRL-UHFFFAOYSA-N 1 2 311.135 3.240 10 5 DGBELO CC[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181541576 199314773 /nfs/dbraw/zinc/31/47/73/199314773.db2.gz NDUSUFBRECVVGV-CYBMUJFWSA-N 1 2 302.334 3.096 10 5 DGBELO O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)c2ccncc21 ZINC000267431383 206061760 /nfs/dbraw/zinc/06/17/60/206061760.db2.gz WTVSZMXMOGMCTF-ZDUSSCGKSA-N 1 2 323.356 3.009 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000289618378 221107364 /nfs/dbraw/zinc/10/73/64/221107364.db2.gz RHNCESOOUWENFF-JSGCOSHPSA-N 1 2 308.403 3.190 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000289618378 221107366 /nfs/dbraw/zinc/10/73/66/221107366.db2.gz RHNCESOOUWENFF-JSGCOSHPSA-N 1 2 308.403 3.190 10 5 DGBELO CC[C@H]([NH2+]Cc1ncnn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183112075 432260655 /nfs/dbraw/zinc/26/06/55/432260655.db2.gz KNVDGPKBFXOSSH-HNNXBMFYSA-N 1 2 317.393 3.083 10 5 DGBELO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173441995 432279401 /nfs/dbraw/zinc/27/94/01/432279401.db2.gz ZOPZQXVJWKDWRH-ZDUSSCGKSA-N 1 2 302.378 3.298 10 5 DGBELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000153763879 432441302 /nfs/dbraw/zinc/44/13/02/432441302.db2.gz TZRNHFKLRWRQAC-AWEZNQCLSA-N 1 2 320.780 3.319 10 5 DGBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000153763879 432441306 /nfs/dbraw/zinc/44/13/06/432441306.db2.gz TZRNHFKLRWRQAC-AWEZNQCLSA-N 1 2 320.780 3.319 10 5 DGBELO CCCn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154310842 432489273 /nfs/dbraw/zinc/48/92/73/432489273.db2.gz MVYBSZYIZFZAHB-UHFFFAOYSA-N 1 2 314.389 3.366 10 5 DGBELO CCCn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154310842 432489276 /nfs/dbraw/zinc/48/92/76/432489276.db2.gz MVYBSZYIZFZAHB-UHFFFAOYSA-N 1 2 314.389 3.366 10 5 DGBELO CCC1(CC)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[S@]1=O ZINC000187567141 432670277 /nfs/dbraw/zinc/67/02/77/432670277.db2.gz HEDSFWNNGFQIHJ-JOCHJYFZSA-N 1 2 324.446 3.026 10 5 DGBELO CCC1(CC)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[S@]1=O ZINC000187567141 432670281 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DGBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000172178711 198053001 /nfs/dbraw/zinc/05/30/01/198053001.db2.gz SHXZAUGIXHURCO-HNNXBMFYSA-N 1 2 320.780 3.319 10 5 DGBELO Cc1csc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444678337 239320762 /nfs/dbraw/zinc/32/07/62/239320762.db2.gz WGUCJFKFRVXQAY-SECBINFHSA-N 1 2 317.374 3.087 10 5 DGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1noc(C2CC2)n1 ZINC000449296353 533408862 /nfs/dbraw/zinc/40/88/62/533408862.db2.gz AVEPAKMHAWPGDS-YRNVUSSQSA-N 1 2 314.345 3.048 10 5 DGBELO CC(=O)c1ccc(OCc2ccc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000185391654 165003292 /nfs/dbraw/zinc/00/32/92/165003292.db2.gz NJLWEFBPNXTKGZ-UHFFFAOYSA-N 1 2 300.314 3.388 10 5 DGBELO Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH+]1 ZINC000176513534 228314424 /nfs/dbraw/zinc/31/44/24/228314424.db2.gz LTSVCBRPJBBKJB-UHFFFAOYSA-N 1 2 310.313 3.340 10 5 DGBELO CN(C)c1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000473508968 429714597 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Cc1nc(N2CCc3c(cccc3[N+](=O)[O-])C2)c2c([nH+]1)CCCC2 ZINC000302072366 282011593 /nfs/dbraw/zinc/01/15/93/282011593.db2.gz FQVCLYLSTSTBHT-UHFFFAOYSA-N 1 2 324.384 3.135 10 5 DGBELO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000159026035 432665971 /nfs/dbraw/zinc/66/59/71/432665971.db2.gz DFUFYOJTSVBEOH-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000159026035 432665975 /nfs/dbraw/zinc/66/59/75/432665975.db2.gz DFUFYOJTSVBEOH-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCC1CC1 ZINC000577704207 316261287 /nfs/dbraw/zinc/26/12/87/316261287.db2.gz ZSKMYIZYMKAXCJ-UHFFFAOYSA-N 1 2 319.405 3.029 10 5 DGBELO Cc1ccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000068139157 659941083 /nfs/dbraw/zinc/94/10/83/659941083.db2.gz ZFUFAGAJBLLNLW-MRXNPFEDSA-N 1 2 300.362 3.203 10 5 DGBELO Cc1ccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000068139157 659941086 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COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184406211 432388013 /nfs/dbraw/zinc/38/80/13/432388013.db2.gz ZNQXZDBZSCCLNO-JTQLQIEISA-N 1 2 308.309 3.495 10 5 DGBELO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000153763986 432441772 /nfs/dbraw/zinc/44/17/72/432441772.db2.gz TZRNHFKLRWRQAC-CQSZACIVSA-N 1 2 320.780 3.319 10 5 DGBELO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000153763986 432441773 /nfs/dbraw/zinc/44/17/73/432441773.db2.gz TZRNHFKLRWRQAC-CQSZACIVSA-N 1 2 320.780 3.319 10 5 DGBELO Cc1ccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158714073 432655248 /nfs/dbraw/zinc/65/52/48/432655248.db2.gz GLTGGBWZQTXNOW-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158714073 432655253 /nfs/dbraw/zinc/65/52/53/432655253.db2.gz GLTGGBWZQTXNOW-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO CC(C)Cn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000541235765 314001803 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O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247554147 432242183 /nfs/dbraw/zinc/24/21/83/432242183.db2.gz SVDFKSAHPLKSDU-UKRRQHHQSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247554147 432242186 /nfs/dbraw/zinc/24/21/86/432242186.db2.gz SVDFKSAHPLKSDU-UKRRQHHQSA-N 1 2 310.781 3.392 10 5 DGBELO COc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1O ZINC000080962973 431779644 /nfs/dbraw/zinc/77/96/44/431779644.db2.gz FAHMZZBBHRQHJR-UHFFFAOYSA-N 1 2 308.359 3.003 10 5 DGBELO COc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1O ZINC000080962973 431779649 /nfs/dbraw/zinc/77/96/49/431779649.db2.gz FAHMZZBBHRQHJR-UHFFFAOYSA-N 1 2 308.359 3.003 10 5 DGBELO CCOC(=O)c1ccn2cc[nH+]c2c1-c1ccc([N+](=O)[O-])cc1 ZINC000089202618 431861496 /nfs/dbraw/zinc/86/14/96/431861496.db2.gz LQLNPHPICLBLMH-UHFFFAOYSA-N 1 2 311.297 3.086 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000183310933 432281935 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O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)ccc1Br ZINC000706738258 660870019 /nfs/dbraw/zinc/87/00/19/660870019.db2.gz LLZRJQUFJUGYJC-ZYHUDNBSSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCC[C@H]32)ccc1Br ZINC000706738258 660870021 /nfs/dbraw/zinc/87/00/21/660870021.db2.gz LLZRJQUFJUGYJC-ZYHUDNBSSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC=C(Br)C2)cc1 ZINC000404199355 1082631849 /nfs/dbraw/zinc/63/18/49/1082631849.db2.gz JDJHQQDYWYXJEE-UHFFFAOYSA-N 1 2 311.179 3.122 10 5 DGBELO O=[N+]([O-])c1ccc(CC[N@H+]2CCC=C(Br)C2)cc1 ZINC000404199355 1082631858 /nfs/dbraw/zinc/63/18/58/1082631858.db2.gz JDJHQQDYWYXJEE-UHFFFAOYSA-N 1 2 311.179 3.122 10 5 DGBELO Cc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000083128038 185213547 /nfs/dbraw/zinc/21/35/47/185213547.db2.gz LQCMRZMUFUGFMI-UHFFFAOYSA-N 1 2 301.302 3.269 10 5 DGBELO Cc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000083128038 185213548 /nfs/dbraw/zinc/21/35/48/185213548.db2.gz 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O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1CCc3ccc(F)cc31)CC2 ZINC000612469089 400550826 /nfs/dbraw/zinc/55/08/26/400550826.db2.gz KGBFOJBUSVTSLS-KRWDZBQOSA-N 1 2 313.332 3.175 10 5 DGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1CCc3ccc(F)cc31)CC2 ZINC000612469089 400550828 /nfs/dbraw/zinc/55/08/28/400550828.db2.gz KGBFOJBUSVTSLS-KRWDZBQOSA-N 1 2 313.332 3.175 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249379338 432346504 /nfs/dbraw/zinc/34/65/04/432346504.db2.gz OOMYVOWGDPYMLZ-GXTWGEPZSA-N 1 2 300.362 3.259 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249379338 432346506 /nfs/dbraw/zinc/34/65/06/432346506.db2.gz OOMYVOWGDPYMLZ-GXTWGEPZSA-N 1 2 300.362 3.259 10 5 DGBELO Cn1c[nH+]c(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000313485104 434133223 /nfs/dbraw/zinc/13/32/23/434133223.db2.gz SYMPNNYBCWPPLH-UHFFFAOYSA-N 1 2 315.160 3.290 10 5 DGBELO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000407993719 434535490 /nfs/dbraw/zinc/53/54/90/434535490.db2.gz RUZQDRWYMBQOHF-UHFFFAOYSA-N 1 2 320.389 3.224 10 5 DGBELO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000407993719 434535497 /nfs/dbraw/zinc/53/54/97/434535497.db2.gz RUZQDRWYMBQOHF-UHFFFAOYSA-N 1 2 320.389 3.224 10 5 DGBELO Cc1cccc([N+](=O)[O-])c1N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000108952519 302040877 /nfs/dbraw/zinc/04/08/77/302040877.db2.gz GXMPAAXGNLCHGZ-UHFFFAOYSA-N 1 2 314.389 3.323 10 5 DGBELO CCOc1cccc(NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000183152210 323327665 /nfs/dbraw/zinc/32/76/65/323327665.db2.gz ZIKIHXUYMRXTMK-UHFFFAOYSA-N 1 2 318.377 3.458 10 5 DGBELO Cn1cnc(C[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC000092852158 662336954 /nfs/dbraw/zinc/33/69/54/662336954.db2.gz SPGJYRAICXBFTD-UHFFFAOYSA-N 1 2 302.381 3.411 10 5 DGBELO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171364764 432125673 /nfs/dbraw/zinc/12/56/73/432125673.db2.gz OQOIOYYPLPRMHO-LBPRGKRZSA-N 1 2 316.336 3.067 10 5 DGBELO O=[N+]([O-])c1ccccc1CN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000119990041 195076322 /nfs/dbraw/zinc/07/63/22/195076322.db2.gz XNZGRVFCJZLQHF-UHFFFAOYSA-N 1 2 310.357 3.431 10 5 DGBELO O=[N+]([O-])c1cccc(/C=C2\CCCC=C2[NH+]2CCOCC2)c1 ZINC000103646976 285153236 /nfs/dbraw/zinc/15/32/36/285153236.db2.gz GLPSPNIYPXWRDE-NTCAYCPXSA-N 1 2 300.358 3.378 10 5 DGBELO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000150882381 287041390 /nfs/dbraw/zinc/04/13/90/287041390.db2.gz ZTTKZZJRMVQYOB-CYBMUJFWSA-N 1 2 323.356 3.026 10 5 DGBELO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185864939 165018764 /nfs/dbraw/zinc/01/87/64/165018764.db2.gz HSOYHVLORVYEJG-UHFFFAOYSA-N 1 2 320.352 3.342 10 5 DGBELO CC[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000191290077 432244920 /nfs/dbraw/zinc/24/49/20/432244920.db2.gz FNXDBOMUQHXBFM-HNNXBMFYSA-N 1 2 317.393 3.182 10 5 DGBELO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)CC2CCCC2)cc1 ZINC000191310135 432247847 /nfs/dbraw/zinc/24/78/47/432247847.db2.gz AQKQMCMDWUIIEW-INIZCTEOSA-N 1 2 315.373 3.400 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000183389030 432287930 /nfs/dbraw/zinc/28/79/30/432287930.db2.gz XLKCMGMYHKNZOM-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000183389030 432287935 /nfs/dbraw/zinc/28/79/35/432287935.db2.gz XLKCMGMYHKNZOM-MRXNPFEDSA-N 1 2 302.330 3.070 10 5 DGBELO CCC1(CC)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000249031183 432334280 /nfs/dbraw/zinc/33/42/80/432334280.db2.gz SODIKGVFIGFHSP-DMZKTXOQSA-N 1 2 324.446 3.279 10 5 DGBELO CCC1(CC)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000249031183 432334283 /nfs/dbraw/zinc/33/42/83/432334283.db2.gz SODIKGVFIGFHSP-DMZKTXOQSA-N 1 2 324.446 3.279 10 5 DGBELO Cc1ccc2c(Nc3ncnc(N(C)C)c3[N+](=O)[O-])cccc2[nH+]1 ZINC000040608658 183108678 /nfs/dbraw/zinc/10/86/78/183108678.db2.gz PYKLADFXFRMMRB-UHFFFAOYSA-N 1 2 324.344 3.051 10 5 DGBELO Cc1cnn([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000105901896 194166927 /nfs/dbraw/zinc/16/69/27/194166927.db2.gz XMNQYVIITZZYIM-ZDUSSCGKSA-N 1 2 318.352 3.076 10 5 DGBELO Cc1cnn([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000105901896 194166930 /nfs/dbraw/zinc/16/69/30/194166930.db2.gz XMNQYVIITZZYIM-ZDUSSCGKSA-N 1 2 318.352 3.076 10 5 DGBELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255560778 285164269 /nfs/dbraw/zinc/16/42/69/285164269.db2.gz KQBXBFUDNYSNEY-CHOZFAJLSA-N 1 2 320.389 3.270 10 5 DGBELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255560778 285164274 /nfs/dbraw/zinc/16/42/74/285164274.db2.gz KQBXBFUDNYSNEY-CHOZFAJLSA-N 1 2 320.389 3.270 10 5 DGBELO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000131497781 196174211 /nfs/dbraw/zinc/17/42/11/196174211.db2.gz GBTNSVCRSFOKOD-LBPRGKRZSA-N 1 2 308.378 3.065 10 5 DGBELO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000131497781 196174213 /nfs/dbraw/zinc/17/42/13/196174213.db2.gz GBTNSVCRSFOKOD-LBPRGKRZSA-N 1 2 308.378 3.065 10 5 DGBELO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)ccc1Cl ZINC000153672903 432432770 /nfs/dbraw/zinc/43/27/70/432432770.db2.gz QTWZLYMFBTXBOJ-UHFFFAOYSA-N 1 2 320.780 3.351 10 5 DGBELO CC(C)c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000548258641 435679009 /nfs/dbraw/zinc/67/90/09/435679009.db2.gz BYWCMWQAOYMHDY-KRWDZBQOSA-N 1 2 304.390 3.329 10 5 DGBELO CC(C)c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000548258641 435679014 /nfs/dbraw/zinc/67/90/14/435679014.db2.gz BYWCMWQAOYMHDY-KRWDZBQOSA-N 1 2 304.390 3.329 10 5 DGBELO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180416594 323229130 /nfs/dbraw/zinc/22/91/30/323229130.db2.gz VDHTZLXFIHZREQ-SNVBAGLBSA-N 1 2 314.301 3.089 10 5 DGBELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131488390 432038335 /nfs/dbraw/zinc/03/83/35/432038335.db2.gz KQBXBFUDNYSNEY-FROQITRMSA-N 1 2 320.389 3.270 10 5 DGBELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131488390 432038337 /nfs/dbraw/zinc/03/83/37/432038337.db2.gz KQBXBFUDNYSNEY-FROQITRMSA-N 1 2 320.389 3.270 10 5 DGBELO O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171364945 432125910 /nfs/dbraw/zinc/12/59/10/432125910.db2.gz HCGSXYHTCHVKJK-LBPRGKRZSA-N 1 2 316.336 3.067 10 5 DGBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157944834 197229338 /nfs/dbraw/zinc/22/93/38/197229338.db2.gz UOZLMUBESWOICP-CQSZACIVSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157944834 197229339 /nfs/dbraw/zinc/22/93/39/197229339.db2.gz UOZLMUBESWOICP-CQSZACIVSA-N 1 2 304.371 3.230 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609875643 400197438 /nfs/dbraw/zinc/19/74/38/400197438.db2.gz YPSSAOCESPNGQB-UHFFFAOYSA-N 1 2 316.704 3.148 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125419748 431924955 /nfs/dbraw/zinc/92/49/55/431924955.db2.gz SMHQOOPWFRUWFT-OAHLLOKOSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125419748 431924958 /nfs/dbraw/zinc/92/49/58/431924958.db2.gz SMHQOOPWFRUWFT-OAHLLOKOSA-N 1 2 304.371 3.230 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000183289039 432277462 /nfs/dbraw/zinc/27/74/62/432277462.db2.gz XOWWGHNRAAYJKE-AWEZNQCLSA-N 1 2 300.362 3.006 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000183289039 432277467 /nfs/dbraw/zinc/27/74/67/432277467.db2.gz XOWWGHNRAAYJKE-AWEZNQCLSA-N 1 2 300.362 3.006 10 5 DGBELO CC[C@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762845 432410413 /nfs/dbraw/zinc/41/04/13/432410413.db2.gz MIEFSYOYHFZIBM-FZMZJTMJSA-N 1 2 316.361 3.201 10 5 DGBELO CCC1(CC)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185244552 432482484 /nfs/dbraw/zinc/48/24/84/432482484.db2.gz SODIKGVFIGFHSP-WHEQGISXSA-N 1 2 324.446 3.279 10 5 DGBELO CCC1(CC)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185244552 432482488 /nfs/dbraw/zinc/48/24/88/432482488.db2.gz SODIKGVFIGFHSP-WHEQGISXSA-N 1 2 324.446 3.279 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000302824642 433874977 /nfs/dbraw/zinc/87/49/77/433874977.db2.gz XKNYYEUATHILLR-UHFFFAOYSA-N 1 2 316.336 3.341 10 5 DGBELO CCC(=O)c1ccc(Nc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000479938674 435359604 /nfs/dbraw/zinc/35/96/04/435359604.db2.gz HIUCRJLJBAFYJO-UHFFFAOYSA-N 1 2 314.345 3.392 10 5 DGBELO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171365121 432126165 /nfs/dbraw/zinc/12/61/65/432126165.db2.gz BNBPTEBPQOZGKU-LBPRGKRZSA-N 1 2 316.336 3.067 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cs1 ZINC000289618385 221107067 /nfs/dbraw/zinc/10/70/67/221107067.db2.gz RHNCESOOUWENFF-TZMCWYRMSA-N 1 2 308.403 3.190 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cs1 ZINC000289618385 221107070 /nfs/dbraw/zinc/10/70/70/221107070.db2.gz RHNCESOOUWENFF-TZMCWYRMSA-N 1 2 308.403 3.190 10 5 DGBELO Cc1ccnc(NCc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000078498821 400804976 /nfs/dbraw/zinc/80/49/76/400804976.db2.gz QCSDEVLGDGKCTJ-UHFFFAOYSA-N 1 2 323.356 3.155 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858036 165333847 /nfs/dbraw/zinc/33/38/47/165333847.db2.gz OOMYVOWGDPYMLZ-OCCSQVGLSA-N 1 2 300.362 3.259 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858036 165333850 /nfs/dbraw/zinc/33/38/50/165333850.db2.gz OOMYVOWGDPYMLZ-OCCSQVGLSA-N 1 2 300.362 3.259 10 5 DGBELO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000114483082 431389230 /nfs/dbraw/zinc/38/92/30/431389230.db2.gz NXVNMTOSUGSUNU-AWEZNQCLSA-N 1 2 316.361 3.054 10 5 DGBELO COc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000114483082 431389237 /nfs/dbraw/zinc/38/92/37/431389237.db2.gz NXVNMTOSUGSUNU-AWEZNQCLSA-N 1 2 316.361 3.054 10 5 DGBELO Cc1cc(NCc2cccc([N+](=O)[O-])c2)nc(-c2ccncc2)[nH+]1 ZINC000195304478 432616883 /nfs/dbraw/zinc/61/68/83/432616883.db2.gz GPWPMIWIFJXDKZ-UHFFFAOYSA-N 1 2 321.340 3.367 10 5 DGBELO CC[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000177813756 432665313 /nfs/dbraw/zinc/66/53/13/432665313.db2.gz DTVHJUALDSWTQW-HNNXBMFYSA-N 1 2 324.340 3.124 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000183372782 323335478 /nfs/dbraw/zinc/33/54/78/323335478.db2.gz UCWYEMMLCGGLET-LBPRGKRZSA-N 1 2 308.378 3.065 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000183372782 323335482 /nfs/dbraw/zinc/33/54/82/323335482.db2.gz UCWYEMMLCGGLET-LBPRGKRZSA-N 1 2 308.378 3.065 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733966956 574645960 /nfs/dbraw/zinc/64/59/60/574645960.db2.gz IUHPHGQNLPGAFI-UHFFFAOYSA-N 1 2 316.704 3.148 10 5 DGBELO CCCn1c(C)nnc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181565198 199318599 /nfs/dbraw/zinc/31/85/99/199318599.db2.gz KBCTVBCHQCIPRP-OAHLLOKOSA-N 1 2 317.393 3.146 10 5 DGBELO CC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181557449 199317221 /nfs/dbraw/zinc/31/72/21/199317221.db2.gz CSOOGVULQMRBAQ-AWEZNQCLSA-N 1 2 317.393 3.088 10 5 DGBELO COc1cc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1F ZINC000180409235 432085145 /nfs/dbraw/zinc/08/51/45/432085145.db2.gz FQSOHXXSEYKQJD-UHFFFAOYSA-N 1 2 320.324 3.052 10 5 DGBELO Cc1csc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000612511556 400556466 /nfs/dbraw/zinc/55/64/66/400556466.db2.gz JMVZOCHPHQWTEZ-SECBINFHSA-N 1 2 318.358 3.352 10 5 DGBELO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccccc32)c(Cl)c1 ZINC000070530027 431251656 /nfs/dbraw/zinc/25/16/56/431251656.db2.gz HIJKWVLILGCKIQ-CQSZACIVSA-N 1 2 304.733 3.472 10 5 DGBELO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173442005 432279648 /nfs/dbraw/zinc/27/96/48/432279648.db2.gz ZOPZQXVJWKDWRH-CYBMUJFWSA-N 1 2 302.378 3.298 10 5 DGBELO COc1cc(C[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184233615 432370037 /nfs/dbraw/zinc/37/00/37/432370037.db2.gz VOVLKXLEOPEYGN-UHFFFAOYSA-N 1 2 308.309 3.276 10 5 DGBELO COc1cc(C[N@@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184233615 432370041 /nfs/dbraw/zinc/37/00/41/432370041.db2.gz VOVLKXLEOPEYGN-UHFFFAOYSA-N 1 2 308.309 3.276 10 5 DGBELO CCOc1cc(NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000178344558 432723803 /nfs/dbraw/zinc/72/38/03/432723803.db2.gz POFKRQHTRRPPDN-UHFFFAOYSA-N 1 2 316.361 3.067 10 5 DGBELO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000092810713 185342730 /nfs/dbraw/zinc/34/27/30/185342730.db2.gz CKLXULWJFWJYMC-HWKANZROSA-N 1 2 312.373 3.211 10 5 DGBELO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171365127 432124992 /nfs/dbraw/zinc/12/49/92/432124992.db2.gz BNBPTEBPQOZGKU-GFCCVEGCSA-N 1 2 316.336 3.067 10 5 DGBELO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000341265053 253776599 /nfs/dbraw/zinc/77/65/99/253776599.db2.gz GDPPICISIOBPCV-UHFFFAOYSA-N 1 2 322.368 3.129 10 5 DGBELO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3nccs3)CC2)cs1 ZINC000189956802 165184751 /nfs/dbraw/zinc/18/47/51/165184751.db2.gz LVKHZQGJCDSZKP-UHFFFAOYSA-N 1 2 324.431 3.189 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858022 165333036 /nfs/dbraw/zinc/33/30/36/165333036.db2.gz OOMYVOWGDPYMLZ-JSGCOSHPSA-N 1 2 300.362 3.259 10 5 DGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858022 165333041 /nfs/dbraw/zinc/33/30/41/165333041.db2.gz OOMYVOWGDPYMLZ-JSGCOSHPSA-N 1 2 300.362 3.259 10 5 DGBELO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000182570797 432206597 /nfs/dbraw/zinc/20/65/97/432206597.db2.gz QCUJIOKWSVAERQ-JTQLQIEISA-N 1 2 301.302 3.488 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000116273957 431498525 /nfs/dbraw/zinc/49/85/25/431498525.db2.gz SVDFKSAHPLKSDU-DZGCQCFKSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000116273957 431498529 /nfs/dbraw/zinc/49/85/29/431498529.db2.gz SVDFKSAHPLKSDU-DZGCQCFKSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000248417719 432288500 /nfs/dbraw/zinc/28/85/00/432288500.db2.gz JTKKNBMABMCXDD-CABCVRRESA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000248417719 432288503 /nfs/dbraw/zinc/28/85/03/432288503.db2.gz JTKKNBMABMCXDD-CABCVRRESA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000248417721 432288736 /nfs/dbraw/zinc/28/87/36/432288736.db2.gz JTKKNBMABMCXDD-HUUCEWRRSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000248417721 432288741 /nfs/dbraw/zinc/28/87/41/432288741.db2.gz JTKKNBMABMCXDD-HUUCEWRRSA-N 1 2 310.781 3.392 10 5 DGBELO CCOc1ccc([C@H](C)[NH2+]Cc2cscn2)cc1[N+](=O)[O-] ZINC000153409037 432406280 /nfs/dbraw/zinc/40/62/80/432406280.db2.gz RFWOSFRFCDUGJL-JTQLQIEISA-N 1 2 307.375 3.301 10 5 DGBELO CCC1(CC)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[S@]1=O ZINC000185253613 432484465 /nfs/dbraw/zinc/48/44/65/432484465.db2.gz BDEPXUMTTOVKHN-JOCHJYFZSA-N 1 2 324.446 3.026 10 5 DGBELO CCC1(CC)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[S@]1=O ZINC000185253613 432484468 /nfs/dbraw/zinc/48/44/68/432484468.db2.gz BDEPXUMTTOVKHN-JOCHJYFZSA-N 1 2 324.446 3.026 10 5 DGBELO Cc1ccc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158694712 432656226 /nfs/dbraw/zinc/65/62/26/432656226.db2.gz UXGPTNRMJCFWOJ-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158694712 432656230 /nfs/dbraw/zinc/65/62/30/432656230.db2.gz UXGPTNRMJCFWOJ-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO CC[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000177813769 432665410 /nfs/dbraw/zinc/66/54/10/432665410.db2.gz DTVHJUALDSWTQW-OAHLLOKOSA-N 1 2 324.340 3.124 10 5 DGBELO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301934139 433799543 /nfs/dbraw/zinc/79/95/43/433799543.db2.gz RKUJMYWMFRXYNN-UHFFFAOYSA-N 1 2 309.329 3.287 10 5 DGBELO CC[C@H]([NH2+]Cc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181541557 199315152 /nfs/dbraw/zinc/31/51/52/199315152.db2.gz NDUSUFBRECVVGV-ZDUSSCGKSA-N 1 2 302.334 3.096 10 5 DGBELO CC[C@H]([NH2+]Cc1nc(CC(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181549953 199315424 /nfs/dbraw/zinc/31/54/24/199315424.db2.gz SXMJROVORMWTDH-AWEZNQCLSA-N 1 2 318.377 3.417 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cs1 ZINC000289618372 221106497 /nfs/dbraw/zinc/10/64/97/221106497.db2.gz RHNCESOOUWENFF-GXTWGEPZSA-N 1 2 308.403 3.190 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cs1 ZINC000289618372 221106501 /nfs/dbraw/zinc/10/65/01/221106501.db2.gz RHNCESOOUWENFF-GXTWGEPZSA-N 1 2 308.403 3.190 10 5 DGBELO CCc1noc([C@@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000090068497 401253216 /nfs/dbraw/zinc/25/32/16/401253216.db2.gz WBBOFUWABKODKE-MFKMUULPSA-N 1 2 304.350 3.342 10 5 DGBELO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000150882350 432198086 /nfs/dbraw/zinc/19/80/86/432198086.db2.gz ZTTKZZJRMVQYOB-ZDUSSCGKSA-N 1 2 323.356 3.026 10 5 DGBELO CCC1(CC)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[S@@]1=O ZINC000187567122 263676848 /nfs/dbraw/zinc/67/68/48/263676848.db2.gz HEDSFWNNGFQIHJ-QFIPXVFZSA-N 1 2 324.446 3.026 10 5 DGBELO CCC1(CC)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[S@@]1=O ZINC000187567122 263676851 /nfs/dbraw/zinc/67/68/51/263676851.db2.gz HEDSFWNNGFQIHJ-QFIPXVFZSA-N 1 2 324.446 3.026 10 5 DGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484329 431395637 /nfs/dbraw/zinc/39/56/37/431395637.db2.gz PCRXXWKHYIFWHI-HNNXBMFYSA-N 1 2 316.361 3.054 10 5 DGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484329 431395642 /nfs/dbraw/zinc/39/56/42/431395642.db2.gz PCRXXWKHYIFWHI-HNNXBMFYSA-N 1 2 316.361 3.054 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000116273953 431500290 /nfs/dbraw/zinc/50/02/90/431500290.db2.gz SVDFKSAHPLKSDU-ZFWWWQNUSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000116273953 431500292 /nfs/dbraw/zinc/50/02/92/431500292.db2.gz SVDFKSAHPLKSDU-ZFWWWQNUSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126570385 431953093 /nfs/dbraw/zinc/95/30/93/431953093.db2.gz LJYGOSFGYBFSHP-HNNXBMFYSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126570385 431953095 /nfs/dbraw/zinc/95/30/95/431953095.db2.gz LJYGOSFGYBFSHP-HNNXBMFYSA-N 1 2 304.371 3.230 10 5 DGBELO Cc1ccccc1N1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054153027 431968343 /nfs/dbraw/zinc/96/83/43/431968343.db2.gz YLWXFPADPOJHDH-UHFFFAOYSA-N 1 2 317.414 3.287 10 5 DGBELO Cc1ccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000183389612 432289456 /nfs/dbraw/zinc/28/94/56/432289456.db2.gz LQUDGIUJCATFEY-QGZVFWFLSA-N 1 2 316.357 3.378 10 5 DGBELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000183389612 432289465 /nfs/dbraw/zinc/28/94/65/432289465.db2.gz LQUDGIUJCATFEY-QGZVFWFLSA-N 1 2 316.357 3.378 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249379342 432345982 /nfs/dbraw/zinc/34/59/82/432345982.db2.gz OOMYVOWGDPYMLZ-TZMCWYRMSA-N 1 2 300.362 3.259 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249379342 432345986 /nfs/dbraw/zinc/34/59/86/432345986.db2.gz OOMYVOWGDPYMLZ-TZMCWYRMSA-N 1 2 300.362 3.259 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000183372805 323335197 /nfs/dbraw/zinc/33/51/97/323335197.db2.gz UCWYEMMLCGGLET-GFCCVEGCSA-N 1 2 308.378 3.065 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000183372805 323335200 /nfs/dbraw/zinc/33/52/00/323335200.db2.gz UCWYEMMLCGGLET-GFCCVEGCSA-N 1 2 308.378 3.065 10 5 DGBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000435126942 534883950 /nfs/dbraw/zinc/88/39/50/534883950.db2.gz SLPKOZZTKBDFCI-UHFFFAOYSA-N 1 2 324.340 3.136 10 5 DGBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000435126942 534883951 /nfs/dbraw/zinc/88/39/51/534883951.db2.gz SLPKOZZTKBDFCI-UHFFFAOYSA-N 1 2 324.340 3.136 10 5 DGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)n2C)cc1[N+](=O)[O-] ZINC000181836948 199359866 /nfs/dbraw/zinc/35/98/66/199359866.db2.gz UJIHYSIBQONPSH-GFCCVEGCSA-N 1 2 317.393 3.006 10 5 DGBELO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000193613034 201085672 /nfs/dbraw/zinc/08/56/72/201085672.db2.gz WGWGGRAMLXUAKI-UHFFFAOYSA-N 1 2 305.290 3.036 10 5 DGBELO Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000193613034 201085675 /nfs/dbraw/zinc/08/56/75/201085675.db2.gz WGWGGRAMLXUAKI-UHFFFAOYSA-N 1 2 305.290 3.036 10 5 DGBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157944678 197229113 /nfs/dbraw/zinc/22/91/13/197229113.db2.gz UOZLMUBESWOICP-AWEZNQCLSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157944678 197229115 /nfs/dbraw/zinc/22/91/15/197229115.db2.gz UOZLMUBESWOICP-AWEZNQCLSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157477987 197190368 /nfs/dbraw/zinc/19/03/68/197190368.db2.gz QAWNHPBHPDJIFB-CQSZACIVSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157477987 197190369 /nfs/dbraw/zinc/19/03/69/197190369.db2.gz QAWNHPBHPDJIFB-CQSZACIVSA-N 1 2 304.371 3.230 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1noc(C2CC2)n1 ZINC000449296352 533384426 /nfs/dbraw/zinc/38/44/26/533384426.db2.gz AVEPAKMHAWPGDS-XFFZJAGNSA-N 1 2 314.345 3.048 10 5 DGBELO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000255896752 401107047 /nfs/dbraw/zinc/10/70/47/401107047.db2.gz CKLXULWJFWJYMC-HYXAFXHYSA-N 1 2 312.373 3.211 10 5 DGBELO CC[C@@H]([NH2+]Cc1ncnn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183112093 432260123 /nfs/dbraw/zinc/26/01/23/432260123.db2.gz KNVDGPKBFXOSSH-OAHLLOKOSA-N 1 2 317.393 3.083 10 5 DGBELO CCC[NH+](CCC)CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166156933 432058355 /nfs/dbraw/zinc/05/83/55/432058355.db2.gz VOSXIJVZCQGTAL-UHFFFAOYSA-N 1 2 323.393 3.141 10 5 DGBELO C[C@]1(c2ccccc2)C[N@H+](Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000121403650 284196347 /nfs/dbraw/zinc/19/63/47/284196347.db2.gz UJIWUCDABSHHSA-MRXNPFEDSA-N 1 2 318.398 3.404 10 5 DGBELO C[C@]1(c2ccccc2)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000121403650 284196348 /nfs/dbraw/zinc/19/63/48/284196348.db2.gz UJIWUCDABSHHSA-MRXNPFEDSA-N 1 2 318.398 3.404 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246342287 432122225 /nfs/dbraw/zinc/12/22/25/432122225.db2.gz FJYMBIMUDZZNFP-MLGOLLRUSA-N 1 2 302.330 3.322 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246342287 432122227 /nfs/dbraw/zinc/12/22/27/432122227.db2.gz FJYMBIMUDZZNFP-MLGOLLRUSA-N 1 2 302.330 3.322 10 5 DGBELO Cc1cnn([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000105901894 194167367 /nfs/dbraw/zinc/16/73/67/194167367.db2.gz XMNQYVIITZZYIM-CYBMUJFWSA-N 1 2 318.352 3.076 10 5 DGBELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000105901894 194167370 /nfs/dbraw/zinc/16/73/70/194167370.db2.gz XMNQYVIITZZYIM-CYBMUJFWSA-N 1 2 318.352 3.076 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609619411 400181327 /nfs/dbraw/zinc/18/13/27/400181327.db2.gz KVSWINZERMHCCT-UHFFFAOYSA-N 1 2 316.704 3.148 10 5 DGBELO COc1cccc(NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000185474433 165005783 /nfs/dbraw/zinc/00/57/83/165005783.db2.gz ZAWOKHNSIXFDGZ-UHFFFAOYSA-N 1 2 304.350 3.068 10 5 DGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000182570783 432205968 /nfs/dbraw/zinc/20/59/68/432205968.db2.gz QCUJIOKWSVAERQ-SNVBAGLBSA-N 1 2 301.302 3.488 10 5 DGBELO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)C2CCCCC2)cc1 ZINC000191310155 432248058 /nfs/dbraw/zinc/24/80/58/432248058.db2.gz OLMJVPNUSUWUKL-INIZCTEOSA-N 1 2 315.373 3.400 10 5 DGBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000341252780 433006176 /nfs/dbraw/zinc/00/61/76/433006176.db2.gz FXNMRHDKGCEPMD-UHFFFAOYSA-N 1 2 322.368 3.129 10 5 DGBELO CCCc1noc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181525356 199310757 /nfs/dbraw/zinc/31/07/57/199310757.db2.gz BZJRIBLZOWBRFY-CYBMUJFWSA-N 1 2 304.350 3.171 10 5 DGBELO CC[C@@H]([NH2+]Cc1nnc(C)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181532588 432134455 /nfs/dbraw/zinc/13/44/55/432134455.db2.gz MBJXMEURKYYKTF-OAHLLOKOSA-N 1 2 315.377 3.071 10 5 DGBELO C[NH+](C)c1ccc(NCCNc2cccc([N+](=O)[O-])c2)cc1 ZINC000584614948 400086152 /nfs/dbraw/zinc/08/61/52/400086152.db2.gz UXJWSHGCQHVJMC-UHFFFAOYSA-N 1 2 300.362 3.185 10 5 DGBELO CN(C)c1ccc([NH2+]CCNc2cccc([N+](=O)[O-])c2)cc1 ZINC000584614948 400086156 /nfs/dbraw/zinc/08/61/56/400086156.db2.gz UXJWSHGCQHVJMC-UHFFFAOYSA-N 1 2 300.362 3.185 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000183251664 432275159 /nfs/dbraw/zinc/27/51/59/432275159.db2.gz RJOGRVRJDXWSHY-GOSISDBHSA-N 1 2 312.369 3.477 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000183251664 432275161 /nfs/dbraw/zinc/27/51/61/432275161.db2.gz RJOGRVRJDXWSHY-GOSISDBHSA-N 1 2 312.369 3.477 10 5 DGBELO CCC1(CC)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000249031180 432334372 /nfs/dbraw/zinc/33/43/72/432334372.db2.gz SODIKGVFIGFHSP-MCMMXHMISA-N 1 2 324.446 3.279 10 5 DGBELO CCC1(CC)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000249031180 432334377 /nfs/dbraw/zinc/33/43/77/432334377.db2.gz SODIKGVFIGFHSP-MCMMXHMISA-N 1 2 324.446 3.279 10 5 DGBELO Cc1ccc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000158827854 432659046 /nfs/dbraw/zinc/65/90/46/432659046.db2.gz ZBIRUGCAIIVDBU-QGZVFWFLSA-N 1 2 316.357 3.378 10 5 DGBELO Cc1ccc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000158827854 432659050 /nfs/dbraw/zinc/65/90/50/432659050.db2.gz ZBIRUGCAIIVDBU-QGZVFWFLSA-N 1 2 316.357 3.378 10 5 DGBELO O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000267345360 432833957 /nfs/dbraw/zinc/83/39/57/432833957.db2.gz FKYNBSPOIFYGHK-GFCCVEGCSA-N 1 2 306.753 3.114 10 5 DGBELO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000505597533 294243857 /nfs/dbraw/zinc/24/38/57/294243857.db2.gz RQIBSWPAWKLCTQ-UHFFFAOYSA-N 1 2 315.348 3.056 10 5 DGBELO CC[C@H]([NH2+]Cc1nnc(C(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000181538101 199313586 /nfs/dbraw/zinc/31/35/86/199313586.db2.gz GNBRLMTYODRSJS-ZDUSSCGKSA-N 1 2 304.350 3.342 10 5 DGBELO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081567010 192293022 /nfs/dbraw/zinc/29/30/22/192293022.db2.gz DITUNBSHCNZNJL-LBPRGKRZSA-N 1 2 308.378 3.065 10 5 DGBELO Cc1c(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081567010 192293025 /nfs/dbraw/zinc/29/30/25/192293025.db2.gz DITUNBSHCNZNJL-LBPRGKRZSA-N 1 2 308.378 3.065 10 5 DGBELO CCN(c1cccc(C)c1)c1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040572627 183104686 /nfs/dbraw/zinc/10/46/86/183104686.db2.gz HXZBYVJWSHZCDB-UHFFFAOYSA-N 1 2 324.344 3.037 10 5 DGBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483318 431392740 /nfs/dbraw/zinc/39/27/40/431392740.db2.gz BVWKMJZSPYUATE-CQSZACIVSA-N 1 2 304.325 3.184 10 5 DGBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483318 431392748 /nfs/dbraw/zinc/39/27/48/431392748.db2.gz BVWKMJZSPYUATE-CQSZACIVSA-N 1 2 304.325 3.184 10 5 DGBELO CCC1(CC)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[S@@]1=O ZINC000185253591 432484173 /nfs/dbraw/zinc/48/41/73/432484173.db2.gz BDEPXUMTTOVKHN-QFIPXVFZSA-N 1 2 324.446 3.026 10 5 DGBELO CCC1(CC)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[S@@]1=O ZINC000185253591 432484176 /nfs/dbraw/zinc/48/41/76/432484176.db2.gz BDEPXUMTTOVKHN-QFIPXVFZSA-N 1 2 324.446 3.026 10 5 DGBELO C[NH+](C)c1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000215323610 432642861 /nfs/dbraw/zinc/64/28/61/432642861.db2.gz UTTLNXCKLVPZFU-UHFFFAOYSA-N 1 2 300.362 3.185 10 5 DGBELO CN(C)c1ccc([NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000215323610 432642864 /nfs/dbraw/zinc/64/28/64/432642864.db2.gz UTTLNXCKLVPZFU-UHFFFAOYSA-N 1 2 300.362 3.185 10 5 DGBELO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000548258642 435678922 /nfs/dbraw/zinc/67/89/22/435678922.db2.gz BYWCMWQAOYMHDY-QGZVFWFLSA-N 1 2 304.390 3.329 10 5 DGBELO CC(C)c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000548258642 435678924 /nfs/dbraw/zinc/67/89/24/435678924.db2.gz BYWCMWQAOYMHDY-QGZVFWFLSA-N 1 2 304.390 3.329 10 5 DGBELO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180459563 323230196 /nfs/dbraw/zinc/23/01/96/323230196.db2.gz MZMGQHMUFFJYDV-LLVKDONJSA-N 1 2 316.361 3.486 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccc1Br ZINC000706738254 660870217 /nfs/dbraw/zinc/87/02/17/660870217.db2.gz LLZRJQUFJUGYJC-JQWIXIFHSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)ccc1Br ZINC000706738254 660870220 /nfs/dbraw/zinc/87/02/20/660870220.db2.gz LLZRJQUFJUGYJC-JQWIXIFHSA-N 1 2 311.179 3.342 10 5 DGBELO CC[C@@H]([NH2+]Cc1nc(CC(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181549972 199316266 /nfs/dbraw/zinc/31/62/66/199316266.db2.gz SXMJROVORMWTDH-CQSZACIVSA-N 1 2 318.377 3.417 10 5 DGBELO CC[C@@H]([NH2+]Cc1ccoc1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181556614 199316373 /nfs/dbraw/zinc/31/63/73/199316373.db2.gz JMTCNUZSYGRELS-CQSZACIVSA-N 1 2 318.329 3.215 10 5 DGBELO CC[C@H]([NH2+]Cc1nnc(C)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181532564 432133686 /nfs/dbraw/zinc/13/36/86/432133686.db2.gz MBJXMEURKYYKTF-HNNXBMFYSA-N 1 2 315.377 3.071 10 5 DGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000093665702 400251786 /nfs/dbraw/zinc/25/17/86/400251786.db2.gz VYYWEOXRBGBXMG-MRXNPFEDSA-N 1 2 320.389 3.224 10 5 DGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000093665702 400251788 /nfs/dbraw/zinc/25/17/88/400251788.db2.gz VYYWEOXRBGBXMG-MRXNPFEDSA-N 1 2 320.389 3.224 10 5 DGBELO CCc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610434271 400258502 /nfs/dbraw/zinc/25/85/02/400258502.db2.gz RFNWRNBLUHEGTF-UHFFFAOYSA-N 1 2 310.313 3.057 10 5 DGBELO Cc1csc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000612511559 400556587 /nfs/dbraw/zinc/55/65/87/400556587.db2.gz JMVZOCHPHQWTEZ-VIFPVBQESA-N 1 2 318.358 3.352 10 5 DGBELO CNc1ccc(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000148116278 400654491 /nfs/dbraw/zinc/65/44/91/400654491.db2.gz KEEZYUWHOBKUIX-UHFFFAOYSA-N 1 2 313.239 3.189 10 5 DGBELO CC[C@H]([NH2+][C@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762873 432410749 /nfs/dbraw/zinc/41/07/49/432410749.db2.gz MIEFSYOYHFZIBM-RISCZKNCSA-N 1 2 316.361 3.201 10 5 DGBELO Cc1cccc2[nH+]c(CNc3ncc([N+](=O)[O-])cc3Cl)cn21 ZINC000301289218 433488710 /nfs/dbraw/zinc/48/87/10/433488710.db2.gz SNADXPQGMXCHLI-UHFFFAOYSA-N 1 2 317.736 3.211 10 5 DGBELO O=[N+]([O-])c1ccc(/C=C2\CCCC=C2[NH+]2CCOCC2)cc1 ZINC000103646969 304802000 /nfs/dbraw/zinc/80/20/00/304802000.db2.gz BRWZWBBKIMDUBY-FYWRMAATSA-N 1 2 300.358 3.378 10 5 DGBELO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000376758397 312983866 /nfs/dbraw/zinc/98/38/66/312983866.db2.gz OPVAOWIWHVPWSX-UHFFFAOYSA-N 1 2 320.780 3.071 10 5 DGBELO O=[N+]([O-])c1cc(Cl)c(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000236044457 1202605195 /nfs/dbraw/zinc/60/51/95/1202605195.db2.gz RHYKBMMVOOZORH-LBPRGKRZSA-N 1 2 316.188 3.408 10 5 DGBELO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000435134869 529982452 /nfs/dbraw/zinc/98/24/52/529982452.db2.gz KKKASGAZNWYWSK-UHFFFAOYSA-N 1 2 312.329 3.210 10 5 DGBELO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000435134869 529982453 /nfs/dbraw/zinc/98/24/53/529982453.db2.gz KKKASGAZNWYWSK-UHFFFAOYSA-N 1 2 312.329 3.210 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157752666 197212890 /nfs/dbraw/zinc/21/28/90/197212890.db2.gz JRTBSDWHRAZDKF-AWEZNQCLSA-N 1 2 304.371 3.230 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157752666 197212891 /nfs/dbraw/zinc/21/28/91/197212891.db2.gz JRTBSDWHRAZDKF-AWEZNQCLSA-N 1 2 304.371 3.230 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000600205387 401220785 /nfs/dbraw/zinc/22/07/85/401220785.db2.gz QWXFHSJOJYNDIV-OVHOFWQVSA-N 1 2 308.353 3.059 10 5 DGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000600205387 401220792 /nfs/dbraw/zinc/22/07/92/401220792.db2.gz QWXFHSJOJYNDIV-OVHOFWQVSA-N 1 2 308.353 3.059 10 5 DGBELO COc1cccc2c1CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000182726959 432222562 /nfs/dbraw/zinc/22/25/62/432222562.db2.gz CYUSKHWGIPKLMR-UHFFFAOYSA-N 1 2 304.371 3.223 10 5 DGBELO COc1cccc2c1CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000182726959 432222564 /nfs/dbraw/zinc/22/25/64/432222564.db2.gz CYUSKHWGIPKLMR-UHFFFAOYSA-N 1 2 304.371 3.223 10 5 DGBELO CC[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000191290090 432244798 /nfs/dbraw/zinc/24/47/98/432244798.db2.gz FNXDBOMUQHXBFM-OAHLLOKOSA-N 1 2 317.393 3.182 10 5 DGBELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116277210 431499161 /nfs/dbraw/zinc/49/91/61/431499161.db2.gz CAPMZKRGAAHPMW-AWEZNQCLSA-N 1 2 320.780 3.319 10 5 DGBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116277210 431499166 /nfs/dbraw/zinc/49/91/66/431499166.db2.gz CAPMZKRGAAHPMW-AWEZNQCLSA-N 1 2 320.780 3.319 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121329772 431773752 /nfs/dbraw/zinc/77/37/52/431773752.db2.gz FJYMBIMUDZZNFP-WBMJQRKESA-N 1 2 302.330 3.322 10 5 DGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121329772 431773759 /nfs/dbraw/zinc/77/37/59/431773759.db2.gz FJYMBIMUDZZNFP-WBMJQRKESA-N 1 2 302.330 3.322 10 5 DGBELO O=[N+]([O-])c1ccc(CNc2cc3cc[nH]c3c[nH+]2)c(Cl)c1 ZINC000588018983 435293762 /nfs/dbraw/zinc/29/37/62/435293762.db2.gz YQWQOYNXBIXBBW-UHFFFAOYSA-N 1 2 302.721 3.737 10 5 DGBELO O=[N+]([O-])c1cccc(F)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000552905173 314626922 /nfs/dbraw/zinc/62/69/22/314626922.db2.gz RBSSUHWQXVVURB-UHFFFAOYSA-N 1 2 302.309 3.473 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185243745 323384613 /nfs/dbraw/zinc/38/46/13/323384613.db2.gz PNZXBPRJKDLAPV-LLVKDONJSA-N 1 2 318.377 3.435 10 5 DGBELO Cc1cn2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000041306064 661833711 /nfs/dbraw/zinc/83/37/11/661833711.db2.gz PPGIKIFRWRNZSA-RUDMXATFSA-N 1 2 322.324 3.203 10 5 DGBELO CC[C@@H]([NH2+]Cc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181535742 199312612 /nfs/dbraw/zinc/31/26/12/199312612.db2.gz ZBWAWMOPWLAPET-CYBMUJFWSA-N 1 2 304.350 3.342 10 5 DGBELO CC(=O)c1ccc(NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])c1 ZINC000078336803 400789276 /nfs/dbraw/zinc/78/92/76/400789276.db2.gz CCZMTYUJQGJJRR-UHFFFAOYSA-N 1 2 316.361 3.262 10 5 DGBELO Cc1cc(NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000193840331 165332986 /nfs/dbraw/zinc/33/29/86/165332986.db2.gz JOLJBKHLMQAGDE-UHFFFAOYSA-N 1 2 309.329 3.096 10 5 DGBELO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000172177526 432200905 /nfs/dbraw/zinc/20/09/05/432200905.db2.gz APMNLVOGCFMVKE-UHFFFAOYSA-N 1 2 320.780 3.351 10 5 DGBELO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccccc32)c(Cl)c1 ZINC000070530028 431252365 /nfs/dbraw/zinc/25/23/65/431252365.db2.gz HIJKWVLILGCKIQ-AWEZNQCLSA-N 1 2 304.733 3.472 10 5 DGBELO COc1cc2ncc3c(N)[nH+]c4cc(N)ccc4c3c2cc1OC ZINC000014969819 431598543 /nfs/dbraw/zinc/59/85/43/431598543.db2.gz YSTGCOBGJRKKPX-UHFFFAOYSA-N 1 2 320.352 3.118 10 5 DGBELO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193794167 432499122 /nfs/dbraw/zinc/49/91/22/432499122.db2.gz URGDJHOGUZAFAE-MRXNPFEDSA-N 1 2 303.337 3.410 10 5 DGBELO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193794167 432499125 /nfs/dbraw/zinc/49/91/25/432499125.db2.gz URGDJHOGUZAFAE-MRXNPFEDSA-N 1 2 303.337 3.410 10 5 DGBELO O=[N+]([O-])c1c(F)cccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301718510 433689154 /nfs/dbraw/zinc/68/91/54/433689154.db2.gz LLGUOCPBDWUYDX-UHFFFAOYSA-N 1 2 318.283 3.404 10 5 DGBELO O=[N+]([O-])c1ccc(F)cc1NCCc1cn2ccccc2[nH+]1 ZINC000302841738 433883170 /nfs/dbraw/zinc/88/31/70/433883170.db2.gz DDDAGLSXRGWFQU-UHFFFAOYSA-N 1 2 300.293 3.036 10 5 DGBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccc1Br ZINC000706738256 660869969 /nfs/dbraw/zinc/86/99/69/660869969.db2.gz LLZRJQUFJUGYJC-PWSUYJOCSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)ccc1Br ZINC000706738256 660869971 /nfs/dbraw/zinc/86/99/71/660869971.db2.gz LLZRJQUFJUGYJC-PWSUYJOCSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1Br ZINC000706734880 660870160 /nfs/dbraw/zinc/87/01/60/660870160.db2.gz AFAQOVULYMMRAA-ONGXEEELSA-N 1 2 311.179 3.342 10 5 DGBELO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c1Br ZINC000706734880 660870163 /nfs/dbraw/zinc/87/01/63/660870163.db2.gz AFAQOVULYMMRAA-ONGXEEELSA-N 1 2 311.179 3.342 10 5 DGBELO CC[C@H]([NH2+]Cc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181535723 199312932 /nfs/dbraw/zinc/31/29/32/199312932.db2.gz ZBWAWMOPWLAPET-ZDUSSCGKSA-N 1 2 304.350 3.342 10 5 DGBELO CCC1(CC)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000187553982 200127281 /nfs/dbraw/zinc/12/72/81/200127281.db2.gz YTILWPUXBSRZDM-QFIPXVFZSA-N 1 2 324.446 3.026 10 5 DGBELO CCC1(CC)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000187553982 200127283 /nfs/dbraw/zinc/12/72/83/200127283.db2.gz YTILWPUXBSRZDM-QFIPXVFZSA-N 1 2 324.446 3.026 10 5 DGBELO CC(C)c1ccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040594915 183106829 /nfs/dbraw/zinc/10/68/29/183106829.db2.gz FZXZVMYERMEMBN-UHFFFAOYSA-N 1 2 324.344 3.438 10 5 DGBELO Cc1cc(NCCCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000609894330 400200524 /nfs/dbraw/zinc/20/05/24/400200524.db2.gz OIFAEEOJSRLTAJ-UHFFFAOYSA-N 1 2 312.373 3.384 10 5 DGBELO CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000610045154 400210088 /nfs/dbraw/zinc/21/00/88/400210088.db2.gz CJBFWWKLXPCWBQ-UHFFFAOYSA-N 1 2 324.340 3.159 10 5 DGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000612468211 400549271 /nfs/dbraw/zinc/54/92/71/400549271.db2.gz UXWDSEHSDUODPL-UHFFFAOYSA-N 1 2 309.369 3.037 10 5 DGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000612468211 400549274 /nfs/dbraw/zinc/54/92/74/400549274.db2.gz UXWDSEHSDUODPL-UHFFFAOYSA-N 1 2 309.369 3.037 10 5 DGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000614255973 400865207 /nfs/dbraw/zinc/86/52/07/400865207.db2.gz WHHUMGCIFMGCRB-UHFFFAOYSA-N 1 2 310.353 3.348 10 5 DGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000614255973 400865213 /nfs/dbraw/zinc/86/52/13/400865213.db2.gz WHHUMGCIFMGCRB-UHFFFAOYSA-N 1 2 310.353 3.348 10 5 DGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000600205385 401220050 /nfs/dbraw/zinc/22/00/50/401220050.db2.gz QWXFHSJOJYNDIV-LRFDDAOPSA-N 1 2 308.353 3.059 10 5 DGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CCF)C1 ZINC000600205385 401220055 /nfs/dbraw/zinc/22/00/55/401220055.db2.gz QWXFHSJOJYNDIV-LRFDDAOPSA-N 1 2 308.353 3.059 10 5 DGBELO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000159025892 432666896 /nfs/dbraw/zinc/66/68/96/432666896.db2.gz DFUFYOJTSVBEOH-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000159025892 432666897 /nfs/dbraw/zinc/66/68/97/432666897.db2.gz DFUFYOJTSVBEOH-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO OCCSCCCNc1[nH+]c2ccccc2c2ccccc21 ZINC000584603175 435291179 /nfs/dbraw/zinc/29/11/79/435291179.db2.gz QKXFCYXXUNWNKG-UHFFFAOYSA-N 1 2 312.438 3.916 10 5 DGBELO CC(C)c1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000120677919 195213745 /nfs/dbraw/zinc/21/37/45/195213745.db2.gz SGBXDVVGBPLWSR-UHFFFAOYSA-N 1 2 321.421 3.065 10 5 DGBELO CC(C)c1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000120677919 195213747 /nfs/dbraw/zinc/21/37/47/195213747.db2.gz SGBXDVVGBPLWSR-UHFFFAOYSA-N 1 2 321.421 3.065 10 5 DGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484327 431394535 /nfs/dbraw/zinc/39/45/35/431394535.db2.gz PCRXXWKHYIFWHI-OAHLLOKOSA-N 1 2 316.361 3.054 10 5 DGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484327 431394540 /nfs/dbraw/zinc/39/45/40/431394540.db2.gz PCRXXWKHYIFWHI-OAHLLOKOSA-N 1 2 316.361 3.054 10 5 DGBELO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000116275279 431500045 /nfs/dbraw/zinc/50/00/45/431500045.db2.gz GXVODWAMJWPXHS-UHFFFAOYSA-N 1 2 320.780 3.351 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000183342190 432283064 /nfs/dbraw/zinc/28/30/64/432283064.db2.gz NGCAKEDRRSYGBB-UHFFFAOYSA-N 1 2 324.384 3.422 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1nc2ccccc2n1C ZINC000183342190 432283066 /nfs/dbraw/zinc/28/30/66/432283066.db2.gz NGCAKEDRRSYGBB-UHFFFAOYSA-N 1 2 324.384 3.422 10 5 DGBELO Cc1ccc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000158827741 432659492 /nfs/dbraw/zinc/65/94/92/432659492.db2.gz ZBIRUGCAIIVDBU-KRWDZBQOSA-N 1 2 316.357 3.378 10 5 DGBELO Cc1ccc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000158827741 432659497 /nfs/dbraw/zinc/65/94/97/432659497.db2.gz ZBIRUGCAIIVDBU-KRWDZBQOSA-N 1 2 316.357 3.378 10 5 DGBELO CCCc1noc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181525344 199310532 /nfs/dbraw/zinc/31/05/32/199310532.db2.gz BZJRIBLZOWBRFY-ZDUSSCGKSA-N 1 2 304.350 3.171 10 5 DGBELO CC[C@H]([NH2+]Cc1ccoc1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181556597 199316953 /nfs/dbraw/zinc/31/69/53/199316953.db2.gz JMTCNUZSYGRELS-AWEZNQCLSA-N 1 2 318.329 3.215 10 5 DGBELO Cc1csc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444678338 239321347 /nfs/dbraw/zinc/32/13/47/239321347.db2.gz WGUCJFKFRVXQAY-VIFPVBQESA-N 1 2 317.374 3.087 10 5 DGBELO CCOc1ccc([C@@H](C)[NH2+]Cc2cscn2)cc1[N+](=O)[O-] ZINC000153408950 284670236 /nfs/dbraw/zinc/67/02/36/284670236.db2.gz RFWOSFRFCDUGJL-SNVBAGLBSA-N 1 2 307.375 3.301 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182067919 228365096 /nfs/dbraw/zinc/36/50/96/228365096.db2.gz JTKKNBMABMCXDD-LSDHHAIUSA-N 1 2 310.781 3.392 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182067919 228365099 /nfs/dbraw/zinc/36/50/99/228365099.db2.gz JTKKNBMABMCXDD-LSDHHAIUSA-N 1 2 310.781 3.392 10 5 DGBELO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000114483080 431392637 /nfs/dbraw/zinc/39/26/37/431392637.db2.gz NXVNMTOSUGSUNU-CQSZACIVSA-N 1 2 316.361 3.054 10 5 DGBELO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000114483080 431392645 /nfs/dbraw/zinc/39/26/45/431392645.db2.gz NXVNMTOSUGSUNU-CQSZACIVSA-N 1 2 316.361 3.054 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000183251644 432274598 /nfs/dbraw/zinc/27/45/98/432274598.db2.gz RJOGRVRJDXWSHY-SFHVURJKSA-N 1 2 312.369 3.477 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000183251644 432274600 /nfs/dbraw/zinc/27/46/00/432274600.db2.gz RJOGRVRJDXWSHY-SFHVURJKSA-N 1 2 312.369 3.477 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000193938290 432510273 /nfs/dbraw/zinc/51/02/73/432510273.db2.gz NQVKRKIDPWLELT-ZDUSSCGKSA-N 1 2 317.301 3.433 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000193938290 432510277 /nfs/dbraw/zinc/51/02/77/432510277.db2.gz NQVKRKIDPWLELT-ZDUSSCGKSA-N 1 2 317.301 3.433 10 5 DGBELO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373103685 433092527 /nfs/dbraw/zinc/09/25/27/433092527.db2.gz IKGHLAXQZXWLRC-UHFFFAOYSA-N 1 2 323.780 3.205 10 5 DGBELO O=C(C[N@H+]1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373103685 433092537 /nfs/dbraw/zinc/09/25/37/433092537.db2.gz IKGHLAXQZXWLRC-UHFFFAOYSA-N 1 2 323.780 3.205 10 5 DGBELO O=[N+]([O-])c1ccccc1Nc1cc(NCc2cccnc2)[nH+]cn1 ZINC000584635710 337375950 /nfs/dbraw/zinc/37/59/50/337375950.db2.gz FZCKECXSYKNNQT-UHFFFAOYSA-N 1 2 322.328 3.136 10 5 DGBELO O=[N+]([O-])c1ccccc1Nc1cc(NCc2ccncc2)[nH+]cn1 ZINC000584635814 337376193 /nfs/dbraw/zinc/37/61/93/337376193.db2.gz ZMHXQMCXLWZZGL-UHFFFAOYSA-N 1 2 322.328 3.136 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000733872365 574641055 /nfs/dbraw/zinc/64/10/55/574641055.db2.gz OLIQMRPUUBFQGB-UHFFFAOYSA-N 1 2 316.704 3.148 10 5 DGBELO CC[C@@H]([NH2+]Cc1nnc(C(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000181538121 199313637 /nfs/dbraw/zinc/31/36/37/199313637.db2.gz GNBRLMTYODRSJS-CYBMUJFWSA-N 1 2 304.350 3.342 10 5 DGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080911144 192200970 /nfs/dbraw/zinc/20/09/70/192200970.db2.gz RLJCWHCJAYCCRM-UHFFFAOYSA-N 1 2 321.764 3.284 10 5 DGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080911144 192200972 /nfs/dbraw/zinc/20/09/72/192200972.db2.gz RLJCWHCJAYCCRM-UHFFFAOYSA-N 1 2 321.764 3.284 10 5 DGBELO Cn1c[nH+]cc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000357590223 285796736 /nfs/dbraw/zinc/79/67/36/285796736.db2.gz DWIZFLQJSATWSC-UHFFFAOYSA-N 1 2 301.133 3.247 10 5 DGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609623001 400181372 /nfs/dbraw/zinc/18/13/72/400181372.db2.gz CVFBVXLASDQIDP-UHFFFAOYSA-N 1 2 322.280 3.241 10 5 DGBELO O=[N+]([O-])c1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185872722 165018577 /nfs/dbraw/zinc/01/85/77/165018577.db2.gz FJRGFUMWIVFCGP-UHFFFAOYSA-N 1 2 320.352 3.342 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000193938305 165335133 /nfs/dbraw/zinc/33/51/33/165335133.db2.gz NQVKRKIDPWLELT-CYBMUJFWSA-N 1 2 317.301 3.433 10 5 DGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000193938305 165335137 /nfs/dbraw/zinc/33/51/37/165335137.db2.gz NQVKRKIDPWLELT-CYBMUJFWSA-N 1 2 317.301 3.433 10 5 DGBELO Cc1ccc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155558628 432561407 /nfs/dbraw/zinc/56/14/07/432561407.db2.gz ZQSRGORNKXPCID-UHFFFAOYSA-N 1 2 309.329 3.096 10 5 DGBELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158713947 432656117 /nfs/dbraw/zinc/65/61/17/432656117.db2.gz GLTGGBWZQTXNOW-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158713947 432656118 /nfs/dbraw/zinc/65/61/18/432656118.db2.gz GLTGGBWZQTXNOW-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO CCc1noc([C@@H](C)[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000178675855 432765166 /nfs/dbraw/zinc/76/51/66/432765166.db2.gz WBBOFUWABKODKE-ZWNOBZJWSA-N 1 2 304.350 3.342 10 5 DGBELO CCc1noc([C@H](C)[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000178675870 432765191 /nfs/dbraw/zinc/76/51/91/432765191.db2.gz WBBOFUWABKODKE-GXFFZTMASA-N 1 2 304.350 3.342 10 5 DGBELO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180416578 323229576 /nfs/dbraw/zinc/22/95/76/323229576.db2.gz VDHTZLXFIHZREQ-JTQLQIEISA-N 1 2 314.301 3.089 10 5 DGBELO O=[N+]([O-])c1cccc(C[NH2+]Cc2ncccc2Br)c1 ZINC000311408028 1199739569 /nfs/dbraw/zinc/73/95/69/1199739569.db2.gz HVDDMPMBXBHISI-UHFFFAOYSA-N 1 2 322.162 3.042 10 5 DGBELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131488658 432038707 /nfs/dbraw/zinc/03/87/07/432038707.db2.gz KQBXBFUDNYSNEY-AORWBKJGSA-N 1 2 320.389 3.270 10 5 DGBELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131488658 432038711 /nfs/dbraw/zinc/03/87/11/432038711.db2.gz KQBXBFUDNYSNEY-AORWBKJGSA-N 1 2 320.389 3.270 10 5 DGBELO CCC1(CC)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000187554008 200127254 /nfs/dbraw/zinc/12/72/54/200127254.db2.gz YTILWPUXBSRZDM-JOCHJYFZSA-N 1 2 324.446 3.026 10 5 DGBELO CCC1(CC)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000187554008 200127255 /nfs/dbraw/zinc/12/72/55/200127255.db2.gz YTILWPUXBSRZDM-JOCHJYFZSA-N 1 2 324.446 3.026 10 5 DGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000093665700 400251597 /nfs/dbraw/zinc/25/15/97/400251597.db2.gz VYYWEOXRBGBXMG-INIZCTEOSA-N 1 2 320.389 3.224 10 5 DGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000093665700 400251600 /nfs/dbraw/zinc/25/16/00/400251600.db2.gz VYYWEOXRBGBXMG-INIZCTEOSA-N 1 2 320.389 3.224 10 5 DGBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611280656 400372673 /nfs/dbraw/zinc/37/26/73/400372673.db2.gz XOTDOEBHKLGBNH-UHFFFAOYSA-N 1 2 324.340 3.420 10 5 DGBELO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000131497995 196174483 /nfs/dbraw/zinc/17/44/83/196174483.db2.gz GBTNSVCRSFOKOD-GFCCVEGCSA-N 1 2 308.378 3.065 10 5 DGBELO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000131497995 196174486 /nfs/dbraw/zinc/17/44/86/196174486.db2.gz GBTNSVCRSFOKOD-GFCCVEGCSA-N 1 2 308.378 3.065 10 5 DGBELO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077382808 431591120 /nfs/dbraw/zinc/59/11/20/431591120.db2.gz YQZZESNGSWMPJH-UHFFFAOYSA-N 1 2 311.769 3.061 10 5 DGBELO CC1(C)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077382808 431591127 /nfs/dbraw/zinc/59/11/27/431591127.db2.gz YQZZESNGSWMPJH-UHFFFAOYSA-N 1 2 311.769 3.061 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000183289060 432278090 /nfs/dbraw/zinc/27/80/90/432278090.db2.gz XOWWGHNRAAYJKE-CQSZACIVSA-N 1 2 300.362 3.006 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000183289060 432278095 /nfs/dbraw/zinc/27/80/95/432278095.db2.gz XOWWGHNRAAYJKE-CQSZACIVSA-N 1 2 300.362 3.006 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000183389007 432288638 /nfs/dbraw/zinc/28/86/38/432288638.db2.gz XLKCMGMYHKNZOM-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000183389007 432288642 /nfs/dbraw/zinc/28/86/42/432288642.db2.gz XLKCMGMYHKNZOM-INIZCTEOSA-N 1 2 302.330 3.070 10 5 DGBELO COc1cccc2c1[nH+]c(NCc1ccc([N+](=O)[O-])cc1)n2C ZINC000184789420 432433217 /nfs/dbraw/zinc/43/32/17/432433217.db2.gz ZESYGGLZRRZRHX-UHFFFAOYSA-N 1 2 312.329 3.102 10 5 DGBELO CC(=O)c1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000567571674 435330216 /nfs/dbraw/zinc/33/02/16/435330216.db2.gz IBYOABIZEROAHB-UHFFFAOYSA-N 1 2 310.353 3.356 10 5 DGBELO CC(=O)c1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000567571674 435330220 /nfs/dbraw/zinc/33/02/20/435330220.db2.gz IBYOABIZEROAHB-UHFFFAOYSA-N 1 2 310.353 3.356 10 5 DGBELO