smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813978 521036041 /nfs/dbraw/zinc/03/60/41/521036041.db2.gz IMYLMQCCDOSRAA-JTQLQIEISA-N 1 1 251.330 2.797 10 5 CFBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)COC ZINC000050815227 520170653 /nfs/dbraw/zinc/17/06/53/520170653.db2.gz SHWZVMKAQQKKDO-LBPRGKRZSA-N 1 1 295.383 2.883 10 5 CFBEMO CCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050817965 520284361 /nfs/dbraw/zinc/28/43/61/520284361.db2.gz OAFUMZJOBTYYHE-AWEZNQCLSA-N 1 1 293.367 2.568 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000050813316 520328483 /nfs/dbraw/zinc/32/84/83/520328483.db2.gz HYNPWRQSWQHQKJ-CYBMUJFWSA-N 1 1 295.408 2.964 10 5 CFBEMO CC[C@@H](C)[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817011 522090908 /nfs/dbraw/zinc/09/09/08/522090908.db2.gz NOKXEVPRNPPCDM-GFCCVEGCSA-N 1 1 295.383 2.883 10 5 CFBEMO CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441179 522305915 /nfs/dbraw/zinc/30/59/15/522305915.db2.gz KUAIOINEMFASOR-PRHODGIISA-N 1 1 290.323 2.999 10 5 CFBEMO CNc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792476 522611000 /nfs/dbraw/zinc/61/10/00/522611000.db2.gz YWXPQFZAUKCUCX-NSHDSACASA-N 1 1 263.341 2.868 10 5 CFBEMO CC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050812888 523029766 /nfs/dbraw/zinc/02/97/66/523029766.db2.gz AJVGPHQGZQNXFF-LBPRGKRZSA-N 1 1 263.341 2.942 10 5 CFBEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049150098 524319387 /nfs/dbraw/zinc/31/93/87/524319387.db2.gz LFRPYRSYAPIPJF-OLZOCXBDSA-N 1 1 277.368 2.730 10 5 CFBEMO Cc1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061700762 525281451 /nfs/dbraw/zinc/28/14/51/525281451.db2.gz VRCYSRPFWWDKBX-GFCCVEGCSA-N 1 1 275.352 2.799 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045653774 526084934 /nfs/dbraw/zinc/08/49/34/526084934.db2.gz KNTNQKBWKGRNIZ-GFCCVEGCSA-N 1 1 263.341 2.798 10 5 CFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246182325 526085266 /nfs/dbraw/zinc/08/52/66/526085266.db2.gz KWFQXARKAWNMFX-CJNGLKHVSA-N 1 1 289.379 2.826 10 5 CFBEMO Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000092784891 347646829 /nfs/dbraw/zinc/64/68/29/347646829.db2.gz RBCLFOHOTCQHJZ-AWEZNQCLSA-N 1 1 278.352 2.640 10 5 CFBEMO CC[N@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086844231 179355762 /nfs/dbraw/zinc/35/57/62/179355762.db2.gz LFBHKTFNGKFDNY-CQSZACIVSA-N 1 1 277.368 2.559 10 5 CFBEMO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090770495 180037735 /nfs/dbraw/zinc/03/77/35/180037735.db2.gz XGRWJOXQAYLPNA-ZDUSSCGKSA-N 1 1 264.325 2.767 10 5 CFBEMO CC(C)(C)[N@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090770495 180037737 /nfs/dbraw/zinc/03/77/37/180037737.db2.gz XGRWJOXQAYLPNA-ZDUSSCGKSA-N 1 1 264.325 2.767 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000123391854 187088822 /nfs/dbraw/zinc/08/88/22/187088822.db2.gz ZNDPKORJEICMPO-OAHLLOKOSA-N 1 1 291.395 2.819 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774962 375379644 /nfs/dbraw/zinc/37/96/44/375379644.db2.gz DSRIAXSDLUWSLC-CYBMUJFWSA-N 1 1 295.358 2.650 10 5 CFBEMO Cc1c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113270270 376004060 /nfs/dbraw/zinc/00/40/60/376004060.db2.gz KFSWXXVUYNZDDD-SWLSCSKDSA-N 1 1 289.379 2.572 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000175043393 379985365 /nfs/dbraw/zinc/98/53/65/379985365.db2.gz YGAPWJKXRAOSPT-GOEBONIOSA-N 1 1 289.379 2.653 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000175360599 380050854 /nfs/dbraw/zinc/05/08/54/380050854.db2.gz AVQDVNSELICXHO-GFCCVEGCSA-N 1 1 295.358 2.650 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000175338654 380046893 /nfs/dbraw/zinc/04/68/93/380046893.db2.gz YTAPAHIVDLCKHC-OAHLLOKOSA-N 1 1 277.368 2.511 10 5 CFBEMO CCC[N@H+]1CC[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302821055 382326429 /nfs/dbraw/zinc/32/64/29/382326429.db2.gz QBPHHJAGEPJEFO-NSHDSACASA-N 1 1 281.331 2.878 10 5 CFBEMO Cc1cc(N[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122228227 393966032 /nfs/dbraw/zinc/96/60/32/393966032.db2.gz TUQQZQLMFAUXPY-LLVKDONJSA-N 1 1 286.335 2.615 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061700677 521658453 /nfs/dbraw/zinc/65/84/53/521658453.db2.gz YZKURLGKZWFYIL-ZDUSSCGKSA-N 1 1 263.341 2.799 10 5 CFBEMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000050818047 520318908 /nfs/dbraw/zinc/31/89/08/520318908.db2.gz KCNUHSFGXNXGFT-CYBMUJFWSA-N 1 1 293.367 2.637 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)C1CC1 ZINC000050816154 520330556 /nfs/dbraw/zinc/33/05/56/520330556.db2.gz VJLBIUMRBQIGIF-UHFFFAOYSA-N 1 1 293.367 2.637 10 5 CFBEMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1NC)C[C@H]1CCCO1 ZINC000050815168 521295809 /nfs/dbraw/zinc/29/58/09/521295809.db2.gz GIGZDMQNRWEUSA-CQSZACIVSA-N 1 1 293.367 2.637 10 5 CFBEMO CC[N@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815595 521421484 /nfs/dbraw/zinc/42/14/84/521421484.db2.gz VSGAKKQPPGTWJM-UHFFFAOYSA-N 1 1 286.335 2.594 10 5 CFBEMO CC[N@@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815595 521421490 /nfs/dbraw/zinc/42/14/90/521421490.db2.gz VSGAKKQPPGTWJM-UHFFFAOYSA-N 1 1 286.335 2.594 10 5 CFBEMO C[N@@H+](Cc1ccccc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050793036 523348297 /nfs/dbraw/zinc/34/82/97/523348297.db2.gz QFAHUTHMWAQUFG-UHFFFAOYSA-N 1 1 271.320 2.809 10 5 CFBEMO C[C@@H]1CCC[N@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000050565905 524219682 /nfs/dbraw/zinc/21/96/82/524219682.db2.gz UFLXZNIRQWVYOU-VXGBXAGGSA-N 1 1 276.336 2.898 10 5 CFBEMO C[C@@H]1CCC[N@@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000050565905 524219691 /nfs/dbraw/zinc/21/96/91/524219691.db2.gz UFLXZNIRQWVYOU-VXGBXAGGSA-N 1 1 276.336 2.898 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)C1CCCC1 ZINC000050445242 527332524 /nfs/dbraw/zinc/33/25/24/527332524.db2.gz VAVFARJPMYSLGC-UHFFFAOYSA-N 1 1 298.770 2.985 10 5 CFBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000039081268 346341252 /nfs/dbraw/zinc/34/12/52/346341252.db2.gz XUEGTRAAKYFHEN-UHFFFAOYSA-N 1 1 266.366 2.922 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000086817770 179345802 /nfs/dbraw/zinc/34/58/02/179345802.db2.gz DUOBHSFXSJIPKD-LLVKDONJSA-N 1 1 267.304 2.630 10 5 CFBEMO CC[N@H+]1CC[C@H](CNCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000107776122 186190113 /nfs/dbraw/zinc/19/01/13/186190113.db2.gz FFINTRJEGJXEDG-GFCCVEGCSA-N 1 1 297.786 2.680 10 5 CFBEMO CC[C@H]([NH2+]Cc1cnns1)c1cccc([N+](=O)[O-])c1 ZINC000294901029 199239303 /nfs/dbraw/zinc/23/93/03/199239303.db2.gz DTGZGGPAJCDAAP-LBPRGKRZSA-N 1 1 278.337 2.687 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301463465 201017250 /nfs/dbraw/zinc/01/72/50/201017250.db2.gz FUGZUSHGZCVLRM-GFCCVEGCSA-N 1 1 281.331 2.654 10 5 CFBEMO C[C@H](c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312231912 382513057 /nfs/dbraw/zinc/51/30/57/382513057.db2.gz ANNCBFSRUPTNSC-LALPHHSUSA-N 1 1 277.368 2.573 10 5 CFBEMO CC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259019 382612856 /nfs/dbraw/zinc/61/28/56/382612856.db2.gz CVCXDFNFUOGAIX-TZMCWYRMSA-N 1 1 277.368 2.648 10 5 CFBEMO CC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259019 382612859 /nfs/dbraw/zinc/61/28/59/382612859.db2.gz CVCXDFNFUOGAIX-TZMCWYRMSA-N 1 1 277.368 2.648 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)C1 ZINC000050792482 522645832 /nfs/dbraw/zinc/64/58/32/522645832.db2.gz OHZQCSWGHZKWAE-NSHDSACASA-N 1 1 263.341 2.868 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000044563312 175206620 /nfs/dbraw/zinc/20/66/20/175206620.db2.gz LVRUPJICEGAYLM-LBPRGKRZSA-N 1 1 267.304 2.630 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000044563149 175207005 /nfs/dbraw/zinc/20/70/05/175207005.db2.gz WBTILRARKVDLJU-LLVKDONJSA-N 1 1 267.304 2.630 10 5 CFBEMO Nc1c(-c2ccc([N+](=O)[O-])cc2)[nH+]c2ccc(F)cn12 ZINC000074542959 176583298 /nfs/dbraw/zinc/58/32/98/176583298.db2.gz QIEPFDQPCVRYCZ-UHFFFAOYSA-N 1 1 272.239 2.631 10 5 CFBEMO Cc1cc(N[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122228462 274719963 /nfs/dbraw/zinc/71/99/63/274719963.db2.gz TUQQZQLMFAUXPY-NSHDSACASA-N 1 1 286.335 2.615 10 5 CFBEMO CCNc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050814682 520304125 /nfs/dbraw/zinc/30/41/25/520304125.db2.gz XLTHQMZIANUWHG-LLVKDONJSA-N 1 1 263.341 2.868 10 5 CFBEMO CCNc1ccc(C[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050814681 520304501 /nfs/dbraw/zinc/30/45/01/520304501.db2.gz XLTHQMZIANUWHG-NSHDSACASA-N 1 1 263.341 2.868 10 5 CFBEMO CC(C)C[N@@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C1CC1 ZINC000051145155 519718349 /nfs/dbraw/zinc/71/83/49/519718349.db2.gz VUZBAPFDVJBNTF-UHFFFAOYSA-N 1 1 278.356 2.501 10 5 CFBEMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049555701 519775978 /nfs/dbraw/zinc/77/59/78/519775978.db2.gz ROARNTBNSJXILA-AWEZNQCLSA-N 1 1 297.374 2.800 10 5 CFBEMO CCCNc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C ZINC000050818418 520173223 /nfs/dbraw/zinc/17/32/23/520173223.db2.gz ZNZVKBTYKSZURQ-UHFFFAOYSA-N 1 1 274.324 2.970 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C1 ZINC000050814687 520330748 /nfs/dbraw/zinc/33/07/48/520330748.db2.gz VXNHFBYZKJQLPU-NSHDSACASA-N 1 1 263.341 2.868 10 5 CFBEMO CCC(CC)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816960 521553480 /nfs/dbraw/zinc/55/34/80/521553480.db2.gz NUITUGALQZQDCD-UHFFFAOYSA-N 1 1 295.383 2.619 10 5 CFBEMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C(C)C ZINC000050813141 521681708 /nfs/dbraw/zinc/68/17/08/521681708.db2.gz JJGRCAXAGGDKJQ-UHFFFAOYSA-N 1 1 251.330 2.797 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CCNCc1ccccc1[N+](=O)[O-] ZINC000052206276 523792061 /nfs/dbraw/zinc/79/20/61/523792061.db2.gz XTQDEFHPHRLCRP-CQSZACIVSA-N 1 1 277.368 2.559 10 5 CFBEMO CC[C@H](C)[N@@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813081 523934595 /nfs/dbraw/zinc/93/45/95/523934595.db2.gz RVKKEHRTAFEDEA-JTQLQIEISA-N 1 1 251.330 2.797 10 5 CFBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098583 199343159 /nfs/dbraw/zinc/34/31/59/199343159.db2.gz UPUNPSVRXXZINB-RNCFNFMXSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098583 199343160 /nfs/dbraw/zinc/34/31/60/199343160.db2.gz UPUNPSVRXXZINB-RNCFNFMXSA-N 1 1 284.743 2.593 10 5 CFBEMO CCOc1ccc(N[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000086818452 179347240 /nfs/dbraw/zinc/34/72/40/179347240.db2.gz UOXKLJGGVBGXMC-LBPRGKRZSA-N 1 1 293.367 2.890 10 5 CFBEMO C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818689 179346863 /nfs/dbraw/zinc/34/68/63/179346863.db2.gz AXPVAOMPBLDCIK-GXTWGEPZSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602930952 351068793 /nfs/dbraw/zinc/06/87/93/351068793.db2.gz PJKHOYXMSJUQOL-BXKDBHETSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602930952 351068797 /nfs/dbraw/zinc/06/87/97/351068797.db2.gz PJKHOYXMSJUQOL-BXKDBHETSA-N 1 1 284.743 2.593 10 5 CFBEMO Cc1ccnc(NC[C@@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000301843011 201227466 /nfs/dbraw/zinc/22/74/66/201227466.db2.gz KIKRJHLFTCVUPQ-ZDUSSCGKSA-N 1 1 292.383 2.831 10 5 CFBEMO CC[C@H]([NH2+]Cc1[nH]ncc1C)c1cccc([N+](=O)[O-])c1 ZINC000289560160 381043996 /nfs/dbraw/zinc/04/39/96/381043996.db2.gz QWZHWYFLXNZRFY-ZDUSSCGKSA-N 1 1 274.324 2.867 10 5 CFBEMO CC[C@H]([NH2+]Cc1n[nH]cc1C)c1cccc([N+](=O)[O-])c1 ZINC000289560160 381044003 /nfs/dbraw/zinc/04/40/03/381044003.db2.gz QWZHWYFLXNZRFY-ZDUSSCGKSA-N 1 1 274.324 2.867 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183336549 381257911 /nfs/dbraw/zinc/25/79/11/381257911.db2.gz NRULTQIWBFGLBY-INIZCTEOSA-N 1 1 291.395 2.819 10 5 CFBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000070693829 285111309 /nfs/dbraw/zinc/11/13/09/285111309.db2.gz RFVFOPSTOCDIEB-JKSUJKDBSA-N 1 1 290.363 2.781 10 5 CFBEMO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009997514 170394020 /nfs/dbraw/zinc/39/40/20/170394020.db2.gz XJPOGIQQAZGDTG-RYUDHWBXSA-N 1 1 276.336 2.755 10 5 CFBEMO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020145976 171031821 /nfs/dbraw/zinc/03/18/21/171031821.db2.gz WAIKPJOBWOHQMF-IUODEOHRSA-N 1 1 279.384 2.832 10 5 CFBEMO Nc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000038032542 174028522 /nfs/dbraw/zinc/02/85/22/174028522.db2.gz CGCHMPCFENGMNX-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO Nc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000038032542 174028525 /nfs/dbraw/zinc/02/85/25/174028525.db2.gz CGCHMPCFENGMNX-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040622527 174355526 /nfs/dbraw/zinc/35/55/26/174355526.db2.gz UWGBUHCLEULMJT-UONOGXRCSA-N 1 1 291.395 2.976 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000040673507 174371985 /nfs/dbraw/zinc/37/19/85/174371985.db2.gz DGPDNCBLMIOPFI-LBPRGKRZSA-N 1 1 286.335 2.649 10 5 CFBEMO C[C@@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])ccn1 ZINC000043567634 175067297 /nfs/dbraw/zinc/06/72/97/175067297.db2.gz COUCYEUCIAHIFD-GFCCVEGCSA-N 1 1 278.356 2.666 10 5 CFBEMO CC(C)(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000043571367 175069083 /nfs/dbraw/zinc/06/90/83/175069083.db2.gz GLBMZGMPZVQVAL-SNVBAGLBSA-N 1 1 294.286 2.830 10 5 CFBEMO CC[C@@H](C)[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731979 175240943 /nfs/dbraw/zinc/24/09/43/175240943.db2.gz NWFIWQQMERYLMA-KCJUWKMLSA-N 1 1 276.296 2.691 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]([NH3+])C(C)(C)C)no1 ZINC000044747980 175243526 /nfs/dbraw/zinc/24/35/26/175243526.db2.gz GKFBPGFAIJIFII-NSHDSACASA-N 1 1 290.323 2.999 10 5 CFBEMO CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000328223147 270298896 /nfs/dbraw/zinc/29/88/96/270298896.db2.gz ZBQPSXDJUCWSRO-SECBINFHSA-N 1 1 269.732 2.754 10 5 CFBEMO COc1cccc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249370556 281056463 /nfs/dbraw/zinc/05/64/63/281056463.db2.gz WRAZUYASXZTYBO-DGCLKSJQSA-N 1 1 293.367 2.744 10 5 CFBEMO CC(C)C[N@@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C(C)C ZINC000051146016 519718307 /nfs/dbraw/zinc/71/83/07/519718307.db2.gz XTPYDYFUMDXBFL-UHFFFAOYSA-N 1 1 280.372 2.747 10 5 CFBEMO CC(C)[C@H](C[NH+](C)C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197429 519814990 /nfs/dbraw/zinc/81/49/90/519814990.db2.gz DUQNSNAPPRSLPY-OCCSQVGLSA-N 1 1 279.384 2.832 10 5 CFBEMO CCNc1ccc(C[N@@H+](CC)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050814978 520299789 /nfs/dbraw/zinc/29/97/89/520299789.db2.gz ZMXPLMBRHUDOED-LBPRGKRZSA-N 1 1 295.383 2.883 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCSC1 ZINC000050813317 520328533 /nfs/dbraw/zinc/32/85/33/520328533.db2.gz HYNPWRQSWQHQKJ-ZDUSSCGKSA-N 1 1 295.408 2.964 10 5 CFBEMO CCC(CC)[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817552 521560141 /nfs/dbraw/zinc/56/01/41/521560141.db2.gz RSMPVUBVTOXRIP-UHFFFAOYSA-N 1 1 295.383 2.814 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000050815067 522646052 /nfs/dbraw/zinc/64/60/52/522646052.db2.gz ZCEQBEBDFQORNA-AWEZNQCLSA-N 1 1 293.367 2.637 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000245424143 523321822 /nfs/dbraw/zinc/32/18/22/523321822.db2.gz JXWGKXJEROCLDK-HOCLYGCPSA-N 1 1 289.379 2.653 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050443975 527333994 /nfs/dbraw/zinc/33/39/94/527333994.db2.gz DYQOLHFDTNVYHK-GFCCVEGCSA-N 1 1 295.770 2.575 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CC[N@H+](C2CC2)C1 ZINC000050443975 527333999 /nfs/dbraw/zinc/33/39/99/527333999.db2.gz DYQOLHFDTNVYHK-GFCCVEGCSA-N 1 1 295.770 2.575 10 5 CFBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CCCO)ccc1Cl ZINC000052759536 618195591 /nfs/dbraw/zinc/19/55/91/618195591.db2.gz LOMKVYDQAZMAPM-LBPRGKRZSA-N 1 1 298.770 2.985 10 5 CFBEMO O=[N+]([O-])[C@@]12Cc3ccccc3[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000584606063 348688040 /nfs/dbraw/zinc/68/80/40/348688040.db2.gz YHOPNRSCFKLSMQ-QZTJIDSGSA-N 1 1 294.354 2.858 10 5 CFBEMO CC[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000584624316 348693640 /nfs/dbraw/zinc/69/36/40/348693640.db2.gz VZRUBLFVTDSPBT-HNNXBMFYSA-N 1 1 275.352 2.517 10 5 CFBEMO CC[C@H]([NH2+]Cc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000080584551 374662618 /nfs/dbraw/zinc/66/26/18/374662618.db2.gz ASBVUFWITJWNLE-LBPRGKRZSA-N 1 1 260.297 2.559 10 5 CFBEMO CC[C@H]([NH2+]Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000088750750 374863017 /nfs/dbraw/zinc/86/30/17/374863017.db2.gz SSWPFVVZZRNVEO-ZDUSSCGKSA-N 1 1 260.297 2.559 10 5 CFBEMO C[C@@H]1CCC[N@@H+](CCNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302825098 382329382 /nfs/dbraw/zinc/32/93/82/382329382.db2.gz YEJKFXATKOAOQS-LLVKDONJSA-N 1 1 281.331 2.878 10 5 CFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312239589 382512884 /nfs/dbraw/zinc/51/28/84/382512884.db2.gz CELLOWRWASXVJR-LALPHHSUSA-N 1 1 277.368 2.573 10 5 CFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000193486171 382720207 /nfs/dbraw/zinc/72/02/07/382720207.db2.gz HOCFASLAZVZVQC-CYBMUJFWSA-N 1 1 292.383 2.709 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762665 285088834 /nfs/dbraw/zinc/08/88/34/285088834.db2.gz KTWQQGDIOMDXPE-CYBMUJFWSA-N 1 1 298.770 2.985 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000245429784 393804673 /nfs/dbraw/zinc/80/46/73/393804673.db2.gz NHPCKUGXXSKHAB-CABCVRRESA-N 1 1 289.379 2.653 10 5 CFBEMO [NH3+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000035379567 172162200 /nfs/dbraw/zinc/16/22/00/172162200.db2.gz VBCANOFEYKIBAF-NSHDSACASA-N 1 1 297.108 2.998 10 5 CFBEMO [NH3+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000035379543 172162258 /nfs/dbraw/zinc/16/22/58/172162258.db2.gz KXEWZBBYBQQVDJ-NSHDSACASA-N 1 1 252.657 2.889 10 5 CFBEMO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc([N+](=O)[O-])o1 ZINC000043610754 175079443 /nfs/dbraw/zinc/07/94/43/175079443.db2.gz RFNBGNOSRIXZLU-LBPRGKRZSA-N 1 1 250.254 2.788 10 5 CFBEMO C[N@@H+]1CCCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044561433 175205096 /nfs/dbraw/zinc/20/50/96/175205096.db2.gz LIKFCCFFVOREQC-CYBMUJFWSA-N 1 1 297.786 2.822 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044561433 175205097 /nfs/dbraw/zinc/20/50/97/175205097.db2.gz LIKFCCFFVOREQC-CYBMUJFWSA-N 1 1 297.786 2.822 10 5 CFBEMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189067 176064930 /nfs/dbraw/zinc/06/49/30/176064930.db2.gz SGPFVLCCEWKICQ-LLVKDONJSA-N 1 1 297.786 2.632 10 5 CFBEMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813080 522084441 /nfs/dbraw/zinc/08/44/41/522084441.db2.gz RVKKEHRTAFEDEA-SNVBAGLBSA-N 1 1 251.330 2.797 10 5 CFBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC ZINC000050812796 520170921 /nfs/dbraw/zinc/17/09/21/520170921.db2.gz GGSKUTLTDHAKCZ-UHFFFAOYSA-N 1 1 251.330 2.868 10 5 CFBEMO CCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050817964 520274403 /nfs/dbraw/zinc/27/44/03/520274403.db2.gz OAFUMZJOBTYYHE-CQSZACIVSA-N 1 1 293.367 2.568 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)C(C)C ZINC000050818073 520330255 /nfs/dbraw/zinc/33/02/55/520330255.db2.gz HNKGNMITYBHQJB-UHFFFAOYSA-N 1 1 295.383 2.619 10 5 CFBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)CC(C)(C)C ZINC000050817020 523186368 /nfs/dbraw/zinc/18/63/68/523186368.db2.gz RUUGMBULYNUUMX-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000050792748 523262246 /nfs/dbraw/zinc/26/22/46/523262246.db2.gz LHUPNPAFMBBNAW-UHFFFAOYSA-N 1 1 263.341 2.942 10 5 CFBEMO C[N@@H+](Cc1ccsc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813526 523483616 /nfs/dbraw/zinc/48/36/16/523483616.db2.gz FSSJUSYFGGSXMS-UHFFFAOYSA-N 1 1 277.349 2.871 10 5 CFBEMO CC[C@H](C)[N@@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050813055 523922297 /nfs/dbraw/zinc/92/22/97/523922297.db2.gz TWSZVEVJNWDEPR-JTQLQIEISA-N 1 1 251.330 2.867 10 5 CFBEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050791963 525385479 /nfs/dbraw/zinc/38/54/79/525385479.db2.gz GGBCARRYMKNRCF-PHIMTYICSA-N 1 1 263.341 2.655 10 5 CFBEMO CO[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431000 347942968 /nfs/dbraw/zinc/94/29/68/347942968.db2.gz XSSJNERTFYGTSL-FZMZJTMJSA-N 1 1 264.325 2.594 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000123392046 187088849 /nfs/dbraw/zinc/08/88/49/187088849.db2.gz ZNDPKORJEICMPO-HNNXBMFYSA-N 1 1 291.395 2.819 10 5 CFBEMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000083748600 374754019 /nfs/dbraw/zinc/75/40/19/374754019.db2.gz SENDFOFZFVGNMS-CYBMUJFWSA-N 1 1 295.770 2.528 10 5 CFBEMO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000168122107 379080856 /nfs/dbraw/zinc/08/08/56/379080856.db2.gz ZKVAGYGWSFUVNM-CQSZACIVSA-N 1 1 274.324 2.569 10 5 CFBEMO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000171699314 379378462 /nfs/dbraw/zinc/37/84/62/379378462.db2.gz PCWBOURIDFGSMA-JTQLQIEISA-N 1 1 252.339 2.532 10 5 CFBEMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000171699314 379378471 /nfs/dbraw/zinc/37/84/71/379378471.db2.gz PCWBOURIDFGSMA-JTQLQIEISA-N 1 1 252.339 2.532 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000175043373 394380345 /nfs/dbraw/zinc/38/03/45/394380345.db2.gz YGAPWJKXRAOSPT-GDBMZVCRSA-N 1 1 289.379 2.653 10 5 CFBEMO Cc1cc([C@H]([NH3+])c2ccc([N+](=O)[O-])o2)c(C)s1 ZINC000035381382 172163184 /nfs/dbraw/zinc/16/31/84/172163184.db2.gz FBOQJXFJNZBQDB-NSHDSACASA-N 1 1 252.295 2.914 10 5 CFBEMO CC(C)C[C@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000037166547 173000894 /nfs/dbraw/zinc/00/08/94/173000894.db2.gz XNANIHABCGXUGD-CQSZACIVSA-N 1 1 279.384 2.661 10 5 CFBEMO CC[C@@H](C)[N@@H+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336466 173137538 /nfs/dbraw/zinc/13/75/38/173137538.db2.gz AMQZDGXEURZFQO-LLVKDONJSA-N 1 1 264.325 2.898 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040503199 174300018 /nfs/dbraw/zinc/30/00/18/174300018.db2.gz YFXUAVVNUMHANV-JTQLQIEISA-N 1 1 267.304 2.630 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040673560 174372445 /nfs/dbraw/zinc/37/24/45/174372445.db2.gz BXEDDOVPPVJNFU-SNVBAGLBSA-N 1 1 269.732 2.754 10 5 CFBEMO CC(C)[N@H+]1CC[C@H](CNCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000045134932 175312864 /nfs/dbraw/zinc/31/28/64/175312864.db2.gz IMICPBIDJMGGDV-GFCCVEGCSA-N 1 1 295.358 2.554 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000096482912 265369035 /nfs/dbraw/zinc/36/90/35/265369035.db2.gz FDOSLJYTJPZARW-GFCCVEGCSA-N 1 1 263.341 2.799 10 5 CFBEMO CC[N@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000328198488 270299245 /nfs/dbraw/zinc/29/92/45/270299245.db2.gz RHDGURUNKHXGKC-SNVBAGLBSA-N 1 1 269.732 2.754 10 5 CFBEMO COc1cccc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249370559 281056789 /nfs/dbraw/zinc/05/67/89/281056789.db2.gz WRAZUYASXZTYBO-WCQYABFASA-N 1 1 293.367 2.744 10 5 CFBEMO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049197625 519793788 /nfs/dbraw/zinc/79/37/88/519793788.db2.gz QPUUENQIFOCTDG-CQSZACIVSA-N 1 1 299.802 2.924 10 5 CFBEMO CCCNc1ccc(C[N@@H+](C)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050815222 520154879 /nfs/dbraw/zinc/15/48/79/520154879.db2.gz TYPNBVDKOZZYMZ-GFCCVEGCSA-N 1 1 295.383 2.883 10 5 CFBEMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1NC)CC1CC1 ZINC000069239707 521291451 /nfs/dbraw/zinc/29/14/51/521291451.db2.gz YZLUHKWCPXGUJO-UHFFFAOYSA-N 1 1 263.341 2.868 10 5 CFBEMO CC[N@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815165 521323533 /nfs/dbraw/zinc/32/35/33/521323533.db2.gz NOHVTDPAGZJMPO-ZDUSSCGKSA-N 1 1 293.367 2.637 10 5 CFBEMO CNc1ccc(C[N@H+](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000050816794 522606471 /nfs/dbraw/zinc/60/64/71/522606471.db2.gz VMUCSIITCWRUNR-UHFFFAOYSA-N 1 1 275.308 2.862 10 5 CFBEMO CNc1ccc(C[N@@H+](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000050816794 522606481 /nfs/dbraw/zinc/60/64/81/522606481.db2.gz VMUCSIITCWRUNR-UHFFFAOYSA-N 1 1 275.308 2.862 10 5 CFBEMO Cc1cc(NC[C@@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122224255 187022226 /nfs/dbraw/zinc/02/22/26/187022226.db2.gz XCBXPTFHPOQBHU-NSHDSACASA-N 1 1 286.335 2.615 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)C1 ZINC000183328728 189354738 /nfs/dbraw/zinc/35/47/38/189354738.db2.gz SGOMBJOUPYCQGP-LLVKDONJSA-N 1 1 266.366 2.841 10 5 CFBEMO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000062998822 373778684 /nfs/dbraw/zinc/77/86/84/373778684.db2.gz DUQWYAREYAQRHT-WFASDCNBSA-N 1 1 286.331 2.979 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000175338682 380047254 /nfs/dbraw/zinc/04/72/54/380047254.db2.gz YTAPAHIVDLCKHC-HNNXBMFYSA-N 1 1 277.368 2.511 10 5 CFBEMO CC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259012 382612559 /nfs/dbraw/zinc/61/25/59/382612559.db2.gz CVCXDFNFUOGAIX-GXTWGEPZSA-N 1 1 277.368 2.648 10 5 CFBEMO CC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259012 382612562 /nfs/dbraw/zinc/61/25/62/382612562.db2.gz CVCXDFNFUOGAIX-GXTWGEPZSA-N 1 1 277.368 2.648 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248586838 383266066 /nfs/dbraw/zinc/26/60/66/383266066.db2.gz GINIJOKMOWJWSS-INIZCTEOSA-N 1 1 289.379 2.573 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)C ZINC000050812987 522644103 /nfs/dbraw/zinc/64/41/03/522644103.db2.gz YMHNBIVRAMUBKX-UHFFFAOYSA-N 1 1 251.330 2.724 10 5 CFBEMO C[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000035463505 172211631 /nfs/dbraw/zinc/21/16/31/172211631.db2.gz GKCZWLUKTKLOFC-LBPRGKRZSA-N 1 1 250.229 2.636 10 5 CFBEMO CC[C@H](C)[N@@H+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336468 173137733 /nfs/dbraw/zinc/13/77/33/173137733.db2.gz AMQZDGXEURZFQO-NSHDSACASA-N 1 1 264.325 2.898 10 5 CFBEMO CC[C@H](C)C[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336980 173137842 /nfs/dbraw/zinc/13/78/42/173137842.db2.gz PRJOXHFCXQQZFE-NSHDSACASA-N 1 1 264.325 2.755 10 5 CFBEMO CC[C@H](C)C[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336980 173137844 /nfs/dbraw/zinc/13/78/44/173137844.db2.gz PRJOXHFCXQQZFE-NSHDSACASA-N 1 1 264.325 2.755 10 5 CFBEMO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037338766 173140265 /nfs/dbraw/zinc/14/02/65/173140265.db2.gz DQULDYUKFRMIRQ-JTQLQIEISA-N 1 1 262.309 2.508 10 5 CFBEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037338766 173140266 /nfs/dbraw/zinc/14/02/66/173140266.db2.gz DQULDYUKFRMIRQ-JTQLQIEISA-N 1 1 262.309 2.508 10 5 CFBEMO C[N@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000045084794 175303686 /nfs/dbraw/zinc/30/36/86/175303686.db2.gz AQIBCAMMTWHECG-UHFFFAOYSA-N 1 1 264.325 2.755 10 5 CFBEMO C[N@@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000045084794 175303687 /nfs/dbraw/zinc/30/36/87/175303687.db2.gz AQIBCAMMTWHECG-UHFFFAOYSA-N 1 1 264.325 2.755 10 5 CFBEMO C[NH+]1CCN(Nc2ccnc3cc4ccccc4cc32)CC1 ZINC000045289775 175354074 /nfs/dbraw/zinc/35/40/74/175354074.db2.gz IEHGWKJNDQJCCW-UHFFFAOYSA-N 1 1 292.386 2.962 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000175339177 276169851 /nfs/dbraw/zinc/16/98/51/276169851.db2.gz CNCQUBNDIFLFHM-MRXNPFEDSA-N 1 1 291.395 2.553 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000175360620 276183115 /nfs/dbraw/zinc/18/31/15/276183115.db2.gz AVQDVNSELICXHO-LBPRGKRZSA-N 1 1 295.358 2.650 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000062723875 521649857 /nfs/dbraw/zinc/64/98/57/521649857.db2.gz YBAWSRKXCBSTPR-LBPRGKRZSA-N 1 1 263.341 2.799 10 5 CFBEMO CCNc1ccc(C[N@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000050817857 520301383 /nfs/dbraw/zinc/30/13/83/520301383.db2.gz RBRPSIZWTBXZAP-UHFFFAOYSA-N 1 1 295.408 2.966 10 5 CFBEMO CCNc1ccc(C[N@@H+](CCOC)C2CC2)cc1[N+](=O)[O-] ZINC000050816152 520302259 /nfs/dbraw/zinc/30/22/59/520302259.db2.gz YLCMRVQHISUUBB-UHFFFAOYSA-N 1 1 293.367 2.637 10 5 CFBEMO CCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000050815433 520545061 /nfs/dbraw/zinc/54/50/61/520545061.db2.gz BXSICBLIYOHUHN-UHFFFAOYSA-N 1 1 263.341 2.942 10 5 CFBEMO CC[N@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)CC1CC1 ZINC000069239731 521323436 /nfs/dbraw/zinc/32/34/36/521323436.db2.gz UZBHTTOCYYMOAD-UHFFFAOYSA-N 1 1 263.341 2.868 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000062723876 521627667 /nfs/dbraw/zinc/62/76/67/521627667.db2.gz YBAWSRKXCBSTPR-GFCCVEGCSA-N 1 1 263.341 2.799 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCSC1 ZINC000050813315 522645609 /nfs/dbraw/zinc/64/56/09/522645609.db2.gz CPWMPGJQDAXGSZ-LBPRGKRZSA-N 1 1 281.381 2.574 10 5 CFBEMO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000049150100 525599345 /nfs/dbraw/zinc/59/93/45/525599345.db2.gz LFRPYRSYAPIPJF-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO Cc1c(CN[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000049501353 525727993 /nfs/dbraw/zinc/72/79/93/525727993.db2.gz LZEXTPRKPODIPE-ZDUSSCGKSA-N 1 1 291.395 2.867 10 5 CFBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cs1 ZINC000160549058 527330050 /nfs/dbraw/zinc/33/00/50/527330050.db2.gz CCBRLLLJIZZWJD-UHFFFAOYSA-N 1 1 292.364 2.759 10 5 CFBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052759539 618195517 /nfs/dbraw/zinc/19/55/17/618195517.db2.gz VYEOADZZBNJHLM-GFCCVEGCSA-N 1 1 298.770 2.985 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294683223 199131760 /nfs/dbraw/zinc/13/17/60/199131760.db2.gz ABGZQWGXTIUTJV-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294683223 199131761 /nfs/dbraw/zinc/13/17/61/199131761.db2.gz ABGZQWGXTIUTJV-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO CC[C@@H]([NH2+]Cc1cnns1)c1cccc([N+](=O)[O-])c1 ZINC000294901027 199239183 /nfs/dbraw/zinc/23/91/83/199239183.db2.gz DTGZGGPAJCDAAP-GFCCVEGCSA-N 1 1 278.337 2.687 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152554557 378427066 /nfs/dbraw/zinc/42/70/66/378427066.db2.gz FAOOTHOJCIVWSW-MRXNPFEDSA-N 1 1 299.330 2.643 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185512247 381655320 /nfs/dbraw/zinc/65/53/20/381655320.db2.gz RLFASHYRUKYUSS-GFCCVEGCSA-N 1 1 293.367 2.524 10 5 CFBEMO Cc1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245559675 383007878 /nfs/dbraw/zinc/00/78/78/383007878.db2.gz LYHQUEQBJYNZHS-HNNXBMFYSA-N 1 1 289.379 2.573 10 5 CFBEMO Cc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245775651 383034671 /nfs/dbraw/zinc/03/46/71/383034671.db2.gz SPXSVIUIJZXWMI-UKRRQHHQSA-N 1 1 289.379 2.572 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247539136 383182643 /nfs/dbraw/zinc/18/26/43/383182643.db2.gz QMLJZMAXXYTSDJ-ZDUSSCGKSA-N 1 1 295.770 2.528 10 5 CFBEMO CCc1ccc([C@@H]([NH3+])c2ccc([N+](=O)[O-])o2)s1 ZINC000035380814 172163929 /nfs/dbraw/zinc/16/39/29/172163929.db2.gz BGPZCOSSFQYSAT-NSHDSACASA-N 1 1 252.295 2.860 10 5 CFBEMO Cc1ccc(CN[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000037321537 173122315 /nfs/dbraw/zinc/12/23/15/173122315.db2.gz VUVCIPSZVSXOHN-HNNXBMFYSA-N 1 1 293.411 2.969 10 5 CFBEMO CC[C@H](C)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037335890 173136886 /nfs/dbraw/zinc/13/68/86/173136886.db2.gz TYRMCYWSNIVLGA-JTQLQIEISA-N 1 1 250.298 2.508 10 5 CFBEMO CC[C@H](C)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037335890 173136889 /nfs/dbraw/zinc/13/68/89/173136889.db2.gz TYRMCYWSNIVLGA-JTQLQIEISA-N 1 1 250.298 2.508 10 5 CFBEMO CC[C@@H](C)[N@H+](CC)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037336506 173137890 /nfs/dbraw/zinc/13/78/90/173137890.db2.gz KRUJJMOJRMGXOS-LLVKDONJSA-N 1 1 264.325 2.898 10 5 CFBEMO CC[C@@H](C)[N@@H+](CC)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037336506 173137891 /nfs/dbraw/zinc/13/78/91/173137891.db2.gz KRUJJMOJRMGXOS-LLVKDONJSA-N 1 1 264.325 2.898 10 5 CFBEMO CCC[C@@H](C)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037339223 173140418 /nfs/dbraw/zinc/14/04/18/173140418.db2.gz IMHNKZAJKLZUHB-LLVKDONJSA-N 1 1 264.325 2.898 10 5 CFBEMO CCC[C@@H](C)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037339223 173140421 /nfs/dbraw/zinc/14/04/21/173140421.db2.gz IMHNKZAJKLZUHB-LLVKDONJSA-N 1 1 264.325 2.898 10 5 CFBEMO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749419 174393649 /nfs/dbraw/zinc/39/36/49/174393649.db2.gz JXQJCFIBNRLPDT-WAEYWBMLSA-N 1 1 275.352 2.610 10 5 CFBEMO C[C@H](c1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749419 174393651 /nfs/dbraw/zinc/39/36/51/174393651.db2.gz JXQJCFIBNRLPDT-WAEYWBMLSA-N 1 1 275.352 2.610 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000096482910 265369697 /nfs/dbraw/zinc/36/96/97/265369697.db2.gz FDOSLJYTJPZARW-LBPRGKRZSA-N 1 1 263.341 2.799 10 5 CFBEMO CC[N@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000328198486 270299369 /nfs/dbraw/zinc/29/93/69/270299369.db2.gz RHDGURUNKHXGKC-JTQLQIEISA-N 1 1 269.732 2.754 10 5 CFBEMO CNc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792475 522610814 /nfs/dbraw/zinc/61/08/14/522610814.db2.gz YWXPQFZAUKCUCX-LLVKDONJSA-N 1 1 263.341 2.868 10 5 CFBEMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812884 523179077 /nfs/dbraw/zinc/17/90/77/523179077.db2.gz RGNHEBRWFLRXCO-GFCCVEGCSA-N 1 1 263.341 2.942 10 5 CFBEMO C[N@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050818195 523251610 /nfs/dbraw/zinc/25/16/10/523251610.db2.gz NKOFOLPOGQTVFM-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050818195 523251613 /nfs/dbraw/zinc/25/16/13/523251613.db2.gz NKOFOLPOGQTVFM-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049149961 524318376 /nfs/dbraw/zinc/31/83/76/524318376.db2.gz ATXPPFVVCPXKSW-CHWSQXEVSA-N 1 1 277.368 2.730 10 5 CFBEMO Cc1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061700761 525280896 /nfs/dbraw/zinc/28/08/96/525280896.db2.gz VRCYSRPFWWDKBX-LBPRGKRZSA-N 1 1 275.352 2.799 10 5 CFBEMO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000049150018 525599672 /nfs/dbraw/zinc/59/96/72/525599672.db2.gz UKBPARGUKZEKQA-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO Cc1c(CN[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000049501355 525728048 /nfs/dbraw/zinc/72/80/48/525728048.db2.gz LZEXTPRKPODIPE-CYBMUJFWSA-N 1 1 291.395 2.867 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CNCC[NH+]1CCCCC1 ZINC000050443915 527332985 /nfs/dbraw/zinc/33/29/85/527332985.db2.gz XETWGLKICYCIQX-UHFFFAOYSA-N 1 1 297.786 2.824 10 5 CFBEMO O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000034220568 346315636 /nfs/dbraw/zinc/31/56/36/346315636.db2.gz BVUNFAAOQWGVQX-SJORKVTESA-N 1 1 282.343 2.931 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000183305246 189354672 /nfs/dbraw/zinc/35/46/72/189354672.db2.gz GINIJOKMOWJWSS-MRXNPFEDSA-N 1 1 289.379 2.573 10 5 CFBEMO Cc1nc(NC[C@@H]2CCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301848029 201230540 /nfs/dbraw/zinc/23/05/40/201230540.db2.gz NTMNHHQPTBWMNC-ZDUSSCGKSA-N 1 1 292.383 2.831 10 5 CFBEMO Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000301852407 201234252 /nfs/dbraw/zinc/23/42/52/201234252.db2.gz PXFMLVFUGGHGHB-ZDUSSCGKSA-N 1 1 292.383 2.831 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774963 375379162 /nfs/dbraw/zinc/37/91/62/375379162.db2.gz DSRIAXSDLUWSLC-ZDUSSCGKSA-N 1 1 295.358 2.650 10 5 CFBEMO CC[C@H]([NH2+]Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000168122010 379082009 /nfs/dbraw/zinc/08/20/09/379082009.db2.gz ZKVAGYGWSFUVNM-AWEZNQCLSA-N 1 1 274.324 2.569 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000296244424 381318129 /nfs/dbraw/zinc/31/81/29/381318129.db2.gz NNZJRKAKBBZVFR-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000296244424 381318135 /nfs/dbraw/zinc/31/81/35/381318135.db2.gz NNZJRKAKBBZVFR-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958231 382202452 /nfs/dbraw/zinc/20/24/52/382202452.db2.gz OEXJHZIRPMVRMO-HIFRSBDPSA-N 1 1 289.379 2.966 10 5 CFBEMO COc1ccc([C@@H]([NH3+])c2ccc([N+](=O)[O-])o2)cc1C ZINC000035382624 172165046 /nfs/dbraw/zinc/16/50/46/172165046.db2.gz XFDSTCVAWIEGMN-CYBMUJFWSA-N 1 1 262.265 2.553 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331832 173133585 /nfs/dbraw/zinc/13/35/85/173133585.db2.gz YJQZOXXICOQDQI-VIFPVBQESA-N 1 1 284.747 2.539 10 5 CFBEMO CCC[N@@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000037335074 173135723 /nfs/dbraw/zinc/13/57/23/173135723.db2.gz ULVBPNDFFZGXAH-UHFFFAOYSA-N 1 1 264.325 2.898 10 5 CFBEMO CC[N@H+](CC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000037334424 173135957 /nfs/dbraw/zinc/13/59/57/173135957.db2.gz IXBSCKROVFXDHG-UHFFFAOYSA-N 1 1 250.298 2.508 10 5 CFBEMO CC[N@@H+](CC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000037334424 173135962 /nfs/dbraw/zinc/13/59/62/173135962.db2.gz IXBSCKROVFXDHG-UHFFFAOYSA-N 1 1 250.298 2.508 10 5 CFBEMO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040622480 174354491 /nfs/dbraw/zinc/35/44/91/174354491.db2.gz JPGDEPFQTHIFBS-UONOGXRCSA-N 1 1 291.395 2.976 10 5 CFBEMO CC(C)(C)[C@@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041123967 174488830 /nfs/dbraw/zinc/48/88/30/174488830.db2.gz NYWVBDSRPHVPHJ-JTQLQIEISA-N 1 1 276.296 2.691 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C ZINC000044563159 175206630 /nfs/dbraw/zinc/20/66/30/175206630.db2.gz PVZOTKREQGSQJQ-ZDUSSCGKSA-N 1 1 263.341 2.799 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]([NH3+])C(C)(C)C)no1 ZINC000044747981 175243571 /nfs/dbraw/zinc/24/35/71/175243571.db2.gz GKFBPGFAIJIFII-LLVKDONJSA-N 1 1 290.323 2.999 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949596 270310175 /nfs/dbraw/zinc/31/01/75/270310175.db2.gz HBSKSKVBMZGHDU-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949596 270310177 /nfs/dbraw/zinc/31/01/77/270310177.db2.gz HBSKSKVBMZGHDU-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240148 270327398 /nfs/dbraw/zinc/32/73/98/270327398.db2.gz MGDIPSHUEWQEKP-CABZTGNLSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240148 270327399 /nfs/dbraw/zinc/32/73/99/270327399.db2.gz MGDIPSHUEWQEKP-CABZTGNLSA-N 1 1 284.743 2.593 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CC1 ZINC000050814585 520328283 /nfs/dbraw/zinc/32/82/83/520328283.db2.gz QDKMTFWXBDLHLR-UHFFFAOYSA-N 1 1 263.341 2.868 10 5 CFBEMO CCC(CC)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813939 521543584 /nfs/dbraw/zinc/54/35/84/521543584.db2.gz JNGAEYQYDGZZSU-UHFFFAOYSA-N 1 1 251.330 2.797 10 5 CFBEMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050814056 519791207 /nfs/dbraw/zinc/79/12/07/519791207.db2.gz SXXHQIWPUAZZRG-SNVBAGLBSA-N 1 1 251.330 2.653 10 5 CFBEMO CNc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000050815066 522605955 /nfs/dbraw/zinc/60/59/55/522605955.db2.gz PZCSFKQEZNDMCA-CYBMUJFWSA-N 1 1 293.367 2.637 10 5 CFBEMO CNc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000050813792 522607312 /nfs/dbraw/zinc/60/73/12/522607312.db2.gz LSLGMNYINNVWLW-JTQLQIEISA-N 1 1 263.341 2.867 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccncc1 ZINC000050814041 522645730 /nfs/dbraw/zinc/64/57/30/522645730.db2.gz LHVQEKMFJGYTDN-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccncc1 ZINC000050814041 522645737 /nfs/dbraw/zinc/64/57/37/522645737.db2.gz LHVQEKMFJGYTDN-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812426 523310142 /nfs/dbraw/zinc/31/01/42/523310142.db2.gz CUULAWAFYGIMNN-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CCNCc1ccccc1[N+](=O)[O-] ZINC000052206279 523798545 /nfs/dbraw/zinc/79/85/45/523798545.db2.gz XTQDEFHPHRLCRP-AWEZNQCLSA-N 1 1 277.368 2.559 10 5 CFBEMO CC[C@H](C)C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813213 523869446 /nfs/dbraw/zinc/86/94/46/523869446.db2.gz DMIMWUYEFHPSDU-JTQLQIEISA-N 1 1 251.330 2.655 10 5 CFBEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814428 525642862 /nfs/dbraw/zinc/64/28/62/525642862.db2.gz ZVBMXQNKWWEVMM-WDEREUQCSA-N 1 1 263.341 2.797 10 5 CFBEMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)c(F)c2)o1 ZINC000049577467 527351493 /nfs/dbraw/zinc/35/14/93/527351493.db2.gz BEPQYFZEFPBTAX-UHFFFAOYSA-N 1 1 268.219 2.756 10 5 CFBEMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000093097808 618979214 /nfs/dbraw/zinc/97/92/14/618979214.db2.gz DXWDZCXOUIUSLL-ZDUSSCGKSA-N 1 1 298.770 2.985 10 5 CFBEMO O=[N+]([O-])c1ccc([C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000088259791 347500578 /nfs/dbraw/zinc/50/05/78/347500578.db2.gz NXBCMJNQBALDET-AWEZNQCLSA-N 1 1 283.331 2.979 10 5 CFBEMO CC[C@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000123295806 187083130 /nfs/dbraw/zinc/08/31/30/187083130.db2.gz UTROMNQGMQWSPY-ZDUSSCGKSA-N 1 1 286.759 2.841 10 5 CFBEMO CC[C@@H]([NH2+]Cc1ccc(CO)o1)c1cccc([N+](=O)[O-])c1 ZINC000175051521 188930724 /nfs/dbraw/zinc/93/07/24/188930724.db2.gz XUSPRGDFOQCYDX-OAHLLOKOSA-N 1 1 290.319 2.921 10 5 CFBEMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000301819635 201215730 /nfs/dbraw/zinc/21/57/30/201215730.db2.gz FZUIYUISTGLSLR-ZDUSSCGKSA-N 1 1 292.383 2.831 10 5 CFBEMO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000062998825 373778718 /nfs/dbraw/zinc/77/87/18/373778718.db2.gz DUQWYAREYAQRHT-IUODEOHRSA-N 1 1 286.331 2.979 10 5 CFBEMO Cc1c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113270267 376004244 /nfs/dbraw/zinc/00/42/44/376004244.db2.gz KFSWXXVUYNZDDD-WFASDCNBSA-N 1 1 289.379 2.572 10 5 CFBEMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000137152462 378219107 /nfs/dbraw/zinc/21/91/07/378219107.db2.gz PYWKKTMUODGMLA-VIFPVBQESA-N 1 1 270.329 2.671 10 5 CFBEMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000137152462 378219112 /nfs/dbraw/zinc/21/91/12/378219112.db2.gz PYWKKTMUODGMLA-VIFPVBQESA-N 1 1 270.329 2.671 10 5 CFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000192506817 382709575 /nfs/dbraw/zinc/70/95/75/382709575.db2.gz QECLUCPRFMYSJT-SNVBAGLBSA-N 1 1 284.385 2.584 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000245444651 383001030 /nfs/dbraw/zinc/00/10/30/383001030.db2.gz YGAPWJKXRAOSPT-HOCLYGCPSA-N 1 1 289.379 2.653 10 5 CFBEMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1cccc(O)c1 ZINC000037319165 173119113 /nfs/dbraw/zinc/11/91/13/173119113.db2.gz ZNWFZWYYOQTTEJ-SECBINFHSA-N 1 1 262.265 2.744 10 5 CFBEMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1cccc(O)c1 ZINC000037319164 173119354 /nfs/dbraw/zinc/11/93/54/173119354.db2.gz ZNWFZWYYOQTTEJ-VIFPVBQESA-N 1 1 262.265 2.744 10 5 CFBEMO C[N@H+](CC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000037334690 173135750 /nfs/dbraw/zinc/13/57/50/173135750.db2.gz GWEVHABFYXYTCL-UHFFFAOYSA-N 1 1 262.309 2.652 10 5 CFBEMO C[N@@H+](CC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000037334690 173135752 /nfs/dbraw/zinc/13/57/52/173135752.db2.gz GWEVHABFYXYTCL-UHFFFAOYSA-N 1 1 262.309 2.652 10 5 CFBEMO C[N@H+]1CCC[C@@H]1CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000040240550 174213401 /nfs/dbraw/zinc/21/34/01/174213401.db2.gz OBOZZSGUEOMRJQ-SECBINFHSA-N 1 1 285.731 2.506 10 5 CFBEMO CC(C)[N@H+]1CC[C@@H](CNc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040623948 174356054 /nfs/dbraw/zinc/35/60/54/174356054.db2.gz DAOLVBOKTDCBGL-NSHDSACASA-N 1 1 281.331 2.876 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040673559 174372159 /nfs/dbraw/zinc/37/21/59/174372159.db2.gz BXEDDOVPPVJNFU-JTQLQIEISA-N 1 1 269.732 2.754 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000040673596 174372271 /nfs/dbraw/zinc/37/22/71/174372271.db2.gz OOKFSNISHQYGEQ-LLVKDONJSA-N 1 1 286.335 2.649 10 5 CFBEMO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535617 175199066 /nfs/dbraw/zinc/19/90/66/175199066.db2.gz RWVBWAMRSMDFPK-OLZOCXBDSA-N 1 1 277.368 2.587 10 5 CFBEMO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535617 175199067 /nfs/dbraw/zinc/19/90/67/175199067.db2.gz RWVBWAMRSMDFPK-OLZOCXBDSA-N 1 1 277.368 2.587 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000044565912 175208317 /nfs/dbraw/zinc/20/83/17/175208317.db2.gz ONQJRSWPSJGOMV-SECBINFHSA-N 1 1 284.747 2.539 10 5 CFBEMO CC[C@H](C)[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731980 175240733 /nfs/dbraw/zinc/24/07/33/175240733.db2.gz NWFIWQQMERYLMA-KWQFWETISA-N 1 1 276.296 2.691 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000312680206 270289295 /nfs/dbraw/zinc/28/92/95/270289295.db2.gz CXOZNVLORAMFPM-LLVKDONJSA-N 1 1 281.331 2.939 10 5 CFBEMO CCCC[N@@H+](CC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812312 520479522 /nfs/dbraw/zinc/47/95/22/520479522.db2.gz QTUUBOUMIWYOLS-UHFFFAOYSA-N 1 1 251.330 2.799 10 5 CFBEMO CCCNc1ccc(Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000050818415 520165273 /nfs/dbraw/zinc/16/52/73/520165273.db2.gz QZZSRYZZPJCOQS-UHFFFAOYSA-N 1 1 274.324 2.970 10 5 CFBEMO CCNc1ccc(C[N@@H+](CC)[C@H](C)COC)cc1[N+](=O)[O-] ZINC000050814979 520299214 /nfs/dbraw/zinc/29/92/14/520299214.db2.gz ZMXPLMBRHUDOED-GFCCVEGCSA-N 1 1 295.383 2.883 10 5 CFBEMO CC[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817380 521398528 /nfs/dbraw/zinc/39/85/28/521398528.db2.gz QCWDZDAONWEWOE-UHFFFAOYSA-N 1 1 275.308 2.792 10 5 CFBEMO CC[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817380 521398533 /nfs/dbraw/zinc/39/85/33/521398533.db2.gz QCWDZDAONWEWOE-UHFFFAOYSA-N 1 1 275.308 2.792 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCSCC1 ZINC000050817859 522645359 /nfs/dbraw/zinc/64/53/59/522645359.db2.gz IKBMYFIRERSXML-UHFFFAOYSA-N 1 1 281.381 2.575 10 5 CFBEMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050813833 523252442 /nfs/dbraw/zinc/25/24/42/523252442.db2.gz HSAUVSYSCSRKEE-LLVKDONJSA-N 1 1 263.341 2.799 10 5 CFBEMO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049150101 524319912 /nfs/dbraw/zinc/31/99/12/524319912.db2.gz LFRPYRSYAPIPJF-CHWSQXEVSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171688112 524951929 /nfs/dbraw/zinc/95/19/29/524951929.db2.gz BOVNFEIUAONIJK-GFCCVEGCSA-N 1 1 296.392 2.801 10 5 CFBEMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000054241779 525280812 /nfs/dbraw/zinc/28/08/12/525280812.db2.gz PFQMGBGHDPCIBX-LBPRGKRZSA-N 1 1 263.341 2.657 10 5 CFBEMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000182150361 527348551 /nfs/dbraw/zinc/34/85/51/527348551.db2.gz IWRKSKKUZBQMRP-CYBMUJFWSA-N 1 1 295.770 2.528 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000175352137 624949238 /nfs/dbraw/zinc/94/92/38/624949238.db2.gz FTOWHMUJWMVHPL-AWEZNQCLSA-N 1 1 295.358 2.650 10 5 CFBEMO CC[C@@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000123296012 187082922 /nfs/dbraw/zinc/08/29/22/187082922.db2.gz UTROMNQGMQWSPY-CYBMUJFWSA-N 1 1 286.759 2.841 10 5 CFBEMO CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177796088 189070160 /nfs/dbraw/zinc/07/01/60/189070160.db2.gz AROGSVYCAVSGEU-CQSZACIVSA-N 1 1 293.367 2.502 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000175047175 379984844 /nfs/dbraw/zinc/98/48/44/379984844.db2.gz UYJXTXGOSWRWFK-QWHCGFSZSA-N 1 1 295.408 2.715 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000175331902 380045123 /nfs/dbraw/zinc/04/51/23/380045123.db2.gz DLLZPJXNDLZNFB-HNNXBMFYSA-N 1 1 277.368 2.511 10 5 CFBEMO CCC[N@H+]1CCCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000301394364 382167304 /nfs/dbraw/zinc/16/73/04/382167304.db2.gz KLJVPVXNBJVYFH-UHFFFAOYSA-N 1 1 277.368 2.825 10 5 CFBEMO CC[C@@H]([NH2+]Cc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC000223895642 382807702 /nfs/dbraw/zinc/80/77/02/382807702.db2.gz HVQNFYKNPXXTAV-CYBMUJFWSA-N 1 1 261.281 2.824 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000183349440 393520257 /nfs/dbraw/zinc/52/02/57/393520257.db2.gz UTKHQMDKBTXVAC-XJKSGUPXSA-N 1 1 289.379 2.572 10 5 CFBEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563139 393533513 /nfs/dbraw/zinc/53/35/13/393533513.db2.gz CKKMWHZYIYXJHZ-GFCCVEGCSA-N 1 1 285.413 2.722 10 5 CFBEMO COc1ccc([C@@H]([NH3+])c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000035381569 172164453 /nfs/dbraw/zinc/16/44/53/172164453.db2.gz CYNHNTGDMGODHW-GFCCVEGCSA-N 1 1 282.683 2.898 10 5 CFBEMO COc1ccc([C@H]([NH3+])c2ccc([N+](=O)[O-])o2)cc1C ZINC000035382622 172165238 /nfs/dbraw/zinc/16/52/38/172165238.db2.gz XFDSTCVAWIEGMN-ZDUSSCGKSA-N 1 1 262.265 2.553 10 5 CFBEMO C[N@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000037334666 173136018 /nfs/dbraw/zinc/13/60/18/173136018.db2.gz WROSTGUIRDWRIR-UHFFFAOYSA-N 1 1 262.309 2.652 10 5 CFBEMO C[N@@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000037334666 173136020 /nfs/dbraw/zinc/13/60/20/173136020.db2.gz WROSTGUIRDWRIR-UHFFFAOYSA-N 1 1 262.309 2.652 10 5 CFBEMO CC[C@@H](C)[N@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037335941 173136488 /nfs/dbraw/zinc/13/64/88/173136488.db2.gz UOWUBSBSJWVGCB-SNVBAGLBSA-N 1 1 250.298 2.508 10 5 CFBEMO CC[C@@H](C)[N@@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037335941 173136491 /nfs/dbraw/zinc/13/64/91/173136491.db2.gz UOWUBSBSJWVGCB-SNVBAGLBSA-N 1 1 250.298 2.508 10 5 CFBEMO CC[N@@H+](CC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000037336271 173136866 /nfs/dbraw/zinc/13/68/66/173136866.db2.gz QWYIXHUEKFSJLU-UHFFFAOYSA-N 1 1 264.325 2.755 10 5 CFBEMO CC[N@H+](CC(=O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000037336271 173136868 /nfs/dbraw/zinc/13/68/68/173136868.db2.gz QWYIXHUEKFSJLU-UHFFFAOYSA-N 1 1 264.325 2.755 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040503204 174300224 /nfs/dbraw/zinc/30/02/24/174300224.db2.gz CNDZADDITVLHJH-LLVKDONJSA-N 1 1 267.304 2.630 10 5 CFBEMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000043474019 175054188 /nfs/dbraw/zinc/05/41/88/175054188.db2.gz BUCSQTXMGHITHA-GHMZBOCLSA-N 1 1 281.331 2.876 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000044563308 175206328 /nfs/dbraw/zinc/20/63/28/175206328.db2.gz BMTWSRVVAKNAKC-JTQLQIEISA-N 1 1 267.304 2.630 10 5 CFBEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049555702 519342648 /nfs/dbraw/zinc/34/26/48/519342648.db2.gz ROARNTBNSJXILA-CQSZACIVSA-N 1 1 297.374 2.800 10 5 CFBEMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CCCC1 ZINC000050813551 521291826 /nfs/dbraw/zinc/29/18/26/521291826.db2.gz WIJKDGNPZHYNOD-UHFFFAOYSA-N 1 1 263.341 2.942 10 5 CFBEMO CC[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000050812577 521322642 /nfs/dbraw/zinc/32/26/42/521322642.db2.gz QUBQMOGCJTWPBM-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO CC[N@@H+](Cc1ccco1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817379 521397684 /nfs/dbraw/zinc/39/76/84/521397684.db2.gz PKKVBKRSKDWELR-UHFFFAOYSA-N 1 1 275.308 2.792 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000311717279 521624668 /nfs/dbraw/zinc/62/46/68/521624668.db2.gz TXJDJNSSKGAGKZ-SNVBAGLBSA-N 1 1 267.304 2.630 10 5 CFBEMO CC[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813214 521970207 /nfs/dbraw/zinc/97/02/07/521970207.db2.gz UJWSWRRPQSODBD-SNVBAGLBSA-N 1 1 251.330 2.655 10 5 CFBEMO CNc1ccc(C[N@H+](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000050813821 522606689 /nfs/dbraw/zinc/60/66/89/522606689.db2.gz ONXFSUSRJSIHHL-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CNc1ccc(C[N@@H+](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000050813821 522606694 /nfs/dbraw/zinc/60/66/94/522606694.db2.gz ONXFSUSRJSIHHL-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CC[C@H](C)[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813084 523934994 /nfs/dbraw/zinc/93/49/94/523934994.db2.gz ZRFUPCNJECTWSR-JTQLQIEISA-N 1 1 251.330 2.797 10 5 CFBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050792804 524362600 /nfs/dbraw/zinc/36/26/00/524362600.db2.gz PBIYRDDTTROJBU-PHIMTYICSA-N 1 1 263.341 2.940 10 5 CFBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050792801 524362895 /nfs/dbraw/zinc/36/28/95/524362895.db2.gz NQBKFFQZDMTIHW-PHIMTYICSA-N 1 1 263.341 2.940 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000301482132 201023503 /nfs/dbraw/zinc/02/35/03/201023503.db2.gz SXJSYMCSWXVTNP-AWEZNQCLSA-N 1 1 263.341 2.515 10 5 CFBEMO CC[C@H]([NH2+]Cc1ccc(CO)o1)c1cccc([N+](=O)[O-])c1 ZINC000090224855 375006485 /nfs/dbraw/zinc/00/64/85/375006485.db2.gz XUSPRGDFOQCYDX-HNNXBMFYSA-N 1 1 290.319 2.921 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000175047160 379985657 /nfs/dbraw/zinc/98/56/57/379985657.db2.gz UYJXTXGOSWRWFK-CHWSQXEVSA-N 1 1 295.408 2.715 10 5 CFBEMO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245775645 383035012 /nfs/dbraw/zinc/03/50/12/383035012.db2.gz SPXSVIUIJZXWMI-HIFRSBDPSA-N 1 1 289.379 2.572 10 5 CFBEMO CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000328223148 270298781 /nfs/dbraw/zinc/29/87/81/270298781.db2.gz ZBQPSXDJUCWSRO-VIFPVBQESA-N 1 1 269.732 2.754 10 5 CFBEMO COc1ccc([C@@H]([NH3+])c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000035381170 172163692 /nfs/dbraw/zinc/16/36/92/172163692.db2.gz WKLFESWKZGWEPM-CYBMUJFWSA-N 1 1 262.265 2.553 10 5 CFBEMO CCC[N@H+](CC)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037334889 173135165 /nfs/dbraw/zinc/13/51/65/173135165.db2.gz RNSYXQYKXXAGEP-UHFFFAOYSA-N 1 1 250.298 2.509 10 5 CFBEMO CCC[N@@H+](CC)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037334889 173135168 /nfs/dbraw/zinc/13/51/68/173135168.db2.gz RNSYXQYKXXAGEP-UHFFFAOYSA-N 1 1 250.298 2.509 10 5 CFBEMO CCC(CC)[N@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037339133 173139755 /nfs/dbraw/zinc/13/97/55/173139755.db2.gz QBSGLNFVPXEVFM-UHFFFAOYSA-N 1 1 264.325 2.898 10 5 CFBEMO CCC(CC)[N@@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037339133 173139756 /nfs/dbraw/zinc/13/97/56/173139756.db2.gz QBSGLNFVPXEVFM-UHFFFAOYSA-N 1 1 264.325 2.898 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000040673592 174372346 /nfs/dbraw/zinc/37/23/46/174372346.db2.gz QUVDMIXWFCNXNR-LLVKDONJSA-N 1 1 286.335 2.649 10 5 CFBEMO C[C@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])ccn1 ZINC000043567635 175067238 /nfs/dbraw/zinc/06/72/38/175067238.db2.gz COUCYEUCIAHIFD-LBPRGKRZSA-N 1 1 278.356 2.666 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C ZINC000044563160 175206925 /nfs/dbraw/zinc/20/69/25/175206925.db2.gz PVZOTKREQGSQJQ-CYBMUJFWSA-N 1 1 263.341 2.799 10 5 CFBEMO CCCC[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732005 175240811 /nfs/dbraw/zinc/24/08/11/175240811.db2.gz MPBSZFCKMLISKS-JTQLQIEISA-N 1 1 276.296 2.835 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000182761196 281020116 /nfs/dbraw/zinc/02/01/16/281020116.db2.gz DCEMTBWHKLKCAJ-UKRRQHHQSA-N 1 1 289.379 2.744 10 5 CFBEMO CCC(CC)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813940 521543801 /nfs/dbraw/zinc/54/38/01/521543801.db2.gz QZJSOUSZPIHPQF-UHFFFAOYSA-N 1 1 251.330 2.797 10 5 CFBEMO CCNc1ccc(C[N@@H+](CCCO)C(C)C)cc1[N+](=O)[O-] ZINC000050818071 520300109 /nfs/dbraw/zinc/30/01/09/520300109.db2.gz KQWHMNDYQPYOIO-UHFFFAOYSA-N 1 1 295.383 2.619 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C)C ZINC000050792627 520328827 /nfs/dbraw/zinc/32/88/27/520328827.db2.gz DBWOUWDXJUZRTP-UHFFFAOYSA-N 1 1 251.330 2.867 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C ZINC000050818417 520330834 /nfs/dbraw/zinc/33/08/34/520330834.db2.gz UJMDSJWGZCUAFJ-UHFFFAOYSA-N 1 1 260.297 2.580 10 5 CFBEMO CC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000050813550 521323207 /nfs/dbraw/zinc/32/32/07/521323207.db2.gz FENQSKSPQGEJOU-UHFFFAOYSA-N 1 1 263.341 2.942 10 5 CFBEMO CNc1ccc(C[N@@H+](CCOC)CC(C)C)cc1[N+](=O)[O-] ZINC000050815110 522607395 /nfs/dbraw/zinc/60/73/95/522607395.db2.gz YNEXZZCEHQTLOO-UHFFFAOYSA-N 1 1 295.383 2.741 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000245440890 523486643 /nfs/dbraw/zinc/48/66/43/523486643.db2.gz UYJXTXGOSWRWFK-OLZOCXBDSA-N 1 1 295.408 2.715 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050443976 527334287 /nfs/dbraw/zinc/33/42/87/527334287.db2.gz DYQOLHFDTNVYHK-LBPRGKRZSA-N 1 1 295.770 2.575 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000050443976 527334293 /nfs/dbraw/zinc/33/42/93/527334293.db2.gz DYQOLHFDTNVYHK-LBPRGKRZSA-N 1 1 295.770 2.575 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(Cl)c1 ZINC000052762376 527349810 /nfs/dbraw/zinc/34/98/10/527349810.db2.gz RSGUZVJEKRHEGA-LBPRGKRZSA-N 1 1 298.770 2.985 10 5 CFBEMO Nc1ccc(C[N@H+](Cc2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000050817821 527481011 /nfs/dbraw/zinc/48/10/11/527481011.db2.gz RYAWJEGMMOLQJE-UHFFFAOYSA-N 1 1 287.319 2.935 10 5 CFBEMO Nc1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000050817821 527481020 /nfs/dbraw/zinc/48/10/20/527481020.db2.gz RYAWJEGMMOLQJE-UHFFFAOYSA-N 1 1 287.319 2.935 10 5 CFBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052759540 618195420 /nfs/dbraw/zinc/19/54/20/618195420.db2.gz VYEOADZZBNJHLM-LBPRGKRZSA-N 1 1 298.770 2.985 10 5 CFBEMO C[N@H+]1CCc2[nH]nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000082807702 178309975 /nfs/dbraw/zinc/30/99/75/178309975.db2.gz YRYFNJOXTGMIHS-UHFFFAOYSA-N 1 1 292.726 2.626 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295085702 199337671 /nfs/dbraw/zinc/33/76/71/199337671.db2.gz SMKIRCSLFDZCKX-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295085702 199337673 /nfs/dbraw/zinc/33/76/73/199337673.db2.gz SMKIRCSLFDZCKX-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000078251251 347233906 /nfs/dbraw/zinc/23/39/06/347233906.db2.gz CMROLGXEMHZYNO-UHFFFAOYSA-N 1 1 277.368 2.825 10 5 CFBEMO Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)cc1[N+](=O)[O-] ZINC000092784890 347646740 /nfs/dbraw/zinc/64/67/40/347646740.db2.gz RBCLFOHOTCQHJZ-CQSZACIVSA-N 1 1 278.352 2.640 10 5 CFBEMO Cc1cc(NCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122225683 347815637 /nfs/dbraw/zinc/81/56/37/347815637.db2.gz WZFMBXAZPSENEQ-UHFFFAOYSA-N 1 1 286.335 2.615 10 5 CFBEMO C[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818691 179346949 /nfs/dbraw/zinc/34/69/49/179346949.db2.gz AXPVAOMPBLDCIK-JSGCOSHPSA-N 1 1 277.368 2.730 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000086838990 179352095 /nfs/dbraw/zinc/35/20/95/179352095.db2.gz MSSCKIXJFSOEOI-GFCCVEGCSA-N 1 1 263.341 2.881 10 5 CFBEMO CC[C@H]([NH2+]Cc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC000223895691 382807635 /nfs/dbraw/zinc/80/76/35/382807635.db2.gz HVQNFYKNPXXTAV-ZDUSSCGKSA-N 1 1 261.281 2.824 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245515162 383003863 /nfs/dbraw/zinc/00/38/63/383003863.db2.gz DCEMTBWHKLKCAJ-HIFRSBDPSA-N 1 1 289.379 2.744 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248650734 393912984 /nfs/dbraw/zinc/91/29/84/393912984.db2.gz UTKHQMDKBTXVAC-CZUORRHYSA-N 1 1 289.379 2.572 10 5 CFBEMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009997513 170393833 /nfs/dbraw/zinc/39/38/33/170393833.db2.gz XJPOGIQQAZGDTG-TXEJJXNPSA-N 1 1 276.336 2.755 10 5 CFBEMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009997513 170393835 /nfs/dbraw/zinc/39/38/35/170393835.db2.gz XJPOGIQQAZGDTG-TXEJJXNPSA-N 1 1 276.336 2.755 10 5 CFBEMO [NH3+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000035379544 172162359 /nfs/dbraw/zinc/16/23/59/172162359.db2.gz KXEWZBBYBQQVDJ-LLVKDONJSA-N 1 1 252.657 2.889 10 5 CFBEMO CCC[N@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000037335266 173136932 /nfs/dbraw/zinc/13/69/32/173136932.db2.gz QBRYVMQNTCRZAG-UHFFFAOYSA-N 1 1 262.309 2.652 10 5 CFBEMO CCC[N@@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000037335266 173136933 /nfs/dbraw/zinc/13/69/33/173136933.db2.gz QBRYVMQNTCRZAG-UHFFFAOYSA-N 1 1 262.309 2.652 10 5 CFBEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc([N+](=O)[O-])cc1F)C2 ZINC000043474004 175054338 /nfs/dbraw/zinc/05/43/38/175054338.db2.gz RBTNJJCEWOFHNT-FGWVZKOKSA-N 1 1 279.315 2.771 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000044563307 175207074 /nfs/dbraw/zinc/20/70/74/175207074.db2.gz BMTWSRVVAKNAKC-SNVBAGLBSA-N 1 1 267.304 2.630 10 5 CFBEMO CC(C)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817649 519651056 /nfs/dbraw/zinc/65/10/56/519651056.db2.gz MYYNENKUUVWSJO-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO CCCCC[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813326 520152987 /nfs/dbraw/zinc/15/29/87/520152987.db2.gz COGVTIGAURNVBI-UHFFFAOYSA-N 1 1 251.330 2.799 10 5 CFBEMO CCC(CC)[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000050113414 521553933 /nfs/dbraw/zinc/55/39/33/521553933.db2.gz QIZHKPPRAUKLNG-UHFFFAOYSA-N 1 1 280.368 2.886 10 5 CFBEMO CCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050812871 521613051 /nfs/dbraw/zinc/61/30/51/521613051.db2.gz IFHWSYGYSVPKTJ-UHFFFAOYSA-N 1 1 251.330 2.868 10 5 CFBEMO CC(C)[C@H](C[NH+](C)C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197424 519814782 /nfs/dbraw/zinc/81/47/82/519814782.db2.gz DUQNSNAPPRSLPY-JSGCOSHPSA-N 1 1 279.384 2.832 10 5 CFBEMO CC(C)c1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1N ZINC000050829214 519880240 /nfs/dbraw/zinc/88/02/40/519880240.db2.gz GYSXWVKMSAPMNA-UHFFFAOYSA-N 1 1 260.297 2.545 10 5 CFBEMO CC[N@H+]1CC[C@H](CNc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700751 521717989 /nfs/dbraw/zinc/71/79/89/521717989.db2.gz CQHNPDMQJZWHGE-GFCCVEGCSA-N 1 1 263.341 2.657 10 5 CFBEMO Cc1ccc(NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000061701144 525279854 /nfs/dbraw/zinc/27/98/54/525279854.db2.gz PMYKUSBJUCBJSG-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172021055 527332731 /nfs/dbraw/zinc/33/27/31/527332731.db2.gz QMLJZMAXXYTSDJ-CYBMUJFWSA-N 1 1 295.770 2.528 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098591 199343734 /nfs/dbraw/zinc/34/37/34/199343734.db2.gz UPUNPSVRXXZINB-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098591 199343736 /nfs/dbraw/zinc/34/37/36/199343736.db2.gz UPUNPSVRXXZINB-ZANVPECISA-N 1 1 284.743 2.593 10 5 CFBEMO Cc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000048329726 346472123 /nfs/dbraw/zinc/47/21/23/346472123.db2.gz VVFDIILGIASYJI-UHFFFAOYSA-N 1 1 257.293 2.588 10 5 CFBEMO CC(C)[N@H+]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086844225 179354778 /nfs/dbraw/zinc/35/47/78/179354778.db2.gz AJEXVQQCRSFVNN-OAHLLOKOSA-N 1 1 291.395 2.947 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120026 373436905 /nfs/dbraw/zinc/43/69/05/373436905.db2.gz OUTRLXSWBMTFBN-NSHDSACASA-N 1 1 267.304 2.630 10 5 CFBEMO Cc1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000092616057 375131102 /nfs/dbraw/zinc/13/11/02/375131102.db2.gz LYHQUEQBJYNZHS-OAHLLOKOSA-N 1 1 289.379 2.573 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000175340377 380047188 /nfs/dbraw/zinc/04/71/88/380047188.db2.gz ZHDMRSBOUYAESV-OAHLLOKOSA-N 1 1 291.395 2.819 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185512268 381655122 /nfs/dbraw/zinc/65/51/22/381655122.db2.gz RLFASHYRUKYUSS-LBPRGKRZSA-N 1 1 293.367 2.524 10 5 CFBEMO COc1cccc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185552245 381663613 /nfs/dbraw/zinc/66/36/13/381663613.db2.gz WRAZUYASXZTYBO-AAEUAGOBSA-N 1 1 293.367 2.744 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958229 382202136 /nfs/dbraw/zinc/20/21/36/382202136.db2.gz OEXJHZIRPMVRMO-DZGCQCFKSA-N 1 1 289.379 2.966 10 5 CFBEMO CCC(CC)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037339122 173140102 /nfs/dbraw/zinc/14/01/02/173140102.db2.gz XODGHNFVGDZGHS-UHFFFAOYSA-N 1 1 264.325 2.898 10 5 CFBEMO CC[N@@H+]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502641 174298844 /nfs/dbraw/zinc/29/88/44/174298844.db2.gz WGWXAAFHSKXCJJ-LBPRGKRZSA-N 1 1 297.786 2.822 10 5 CFBEMO CC[N@H+]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502641 174298846 /nfs/dbraw/zinc/29/88/46/174298846.db2.gz WGWXAAFHSKXCJJ-LBPRGKRZSA-N 1 1 297.786 2.822 10 5 CFBEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502585 174299001 /nfs/dbraw/zinc/29/90/01/174299001.db2.gz ZSWVFMJHDOXKLH-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502585 174299003 /nfs/dbraw/zinc/29/90/03/174299003.db2.gz ZSWVFMJHDOXKLH-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000040673594 174371946 /nfs/dbraw/zinc/37/19/46/174371946.db2.gz TUUBTCSCKFBJOC-LLVKDONJSA-N 1 1 286.335 2.649 10 5 CFBEMO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749418 174394023 /nfs/dbraw/zinc/39/40/23/174394023.db2.gz JXQJCFIBNRLPDT-UFBLJUAHSA-N 1 1 275.352 2.610 10 5 CFBEMO C[C@@H](c1ccc([N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749418 174394024 /nfs/dbraw/zinc/39/40/24/174394024.db2.gz JXQJCFIBNRLPDT-UFBLJUAHSA-N 1 1 275.352 2.610 10 5 CFBEMO C[C@H](NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000044562108 175205462 /nfs/dbraw/zinc/20/54/62/175205462.db2.gz PUMOSRNLICJBJO-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@H](NC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000044562108 175205464 /nfs/dbraw/zinc/20/54/64/175205464.db2.gz PUMOSRNLICJBJO-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO CC(C)[N@H+]1CC[C@@H](CNCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000045134933 175312506 /nfs/dbraw/zinc/31/25/06/175312506.db2.gz IMICPBIDJMGGDV-LBPRGKRZSA-N 1 1 295.358 2.554 10 5 CFBEMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000071189066 176064595 /nfs/dbraw/zinc/06/45/95/176064595.db2.gz SGPFVLCCEWKICQ-NSHDSACASA-N 1 1 297.786 2.632 10 5 CFBEMO CCCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050812313 520479284 /nfs/dbraw/zinc/47/92/84/520479284.db2.gz WIJFNWXOCAKQJL-UHFFFAOYSA-N 1 1 251.330 2.799 10 5 CFBEMO CCCNc1ccc(C[N@@H+](C)CC)cc1[N+](=O)[O-] ZINC000050812793 520154996 /nfs/dbraw/zinc/15/49/96/520154996.db2.gz ISGJIRPLFWMCLE-UHFFFAOYSA-N 1 1 251.330 2.868 10 5 CFBEMO CCNc1ccc(C[N@@H+](C)CC2CC2)cc1[N+](=O)[O-] ZINC000050814582 520298805 /nfs/dbraw/zinc/29/88/05/520298805.db2.gz PZNPTHBFZSQHIX-UHFFFAOYSA-N 1 1 263.341 2.868 10 5 CFBEMO CCNc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815911 520299676 /nfs/dbraw/zinc/29/96/76/520299676.db2.gz VCUKOBGMPYZCLM-ZDUSSCGKSA-N 1 1 293.367 2.637 10 5 CFBEMO CCC[C@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441207 521121152 /nfs/dbraw/zinc/12/11/52/521121152.db2.gz NWRISEACBWCWNV-NSHDSACASA-N 1 1 276.296 2.753 10 5 CFBEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049149955 524595724 /nfs/dbraw/zinc/59/57/24/524595724.db2.gz ATXPPFVVCPXKSW-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])C(C)(C)C)n1 ZINC000050441201 526070560 /nfs/dbraw/zinc/07/05/60/526070560.db2.gz YJTZUUXQZRDKFF-NSHDSACASA-N 1 1 290.323 2.999 10 5 CFBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246182319 526078660 /nfs/dbraw/zinc/07/86/60/526078660.db2.gz KWFQXARKAWNMFX-BBRMVZONSA-N 1 1 289.379 2.826 10 5 CFBEMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070255 527386678 /nfs/dbraw/zinc/38/66/78/527386678.db2.gz ODUFEELKJSVKLY-CQSZACIVSA-N 1 1 270.288 2.818 10 5 CFBEMO CC(C)C[N@H+]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301821650 201217676 /nfs/dbraw/zinc/21/76/76/201217676.db2.gz GUBBPVQKLVWKPL-LBPRGKRZSA-N 1 1 278.356 2.522 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152554629 378427031 /nfs/dbraw/zinc/42/70/31/378427031.db2.gz FAOOTHOJCIVWSW-INIZCTEOSA-N 1 1 299.330 2.643 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000175354821 380050269 /nfs/dbraw/zinc/05/02/69/380050269.db2.gz NZKHSIZVFSZBCQ-CQSZACIVSA-N 1 1 277.368 2.511 10 5 CFBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000302805690 393495265 /nfs/dbraw/zinc/49/52/65/393495265.db2.gz FRRBWTYEEXWTTF-LLVKDONJSA-N 1 1 295.770 2.841 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245515164 292295824 /nfs/dbraw/zinc/29/58/24/292295824.db2.gz DCEMTBWHKLKCAJ-ZFWWWQNUSA-N 1 1 289.379 2.744 10 5 CFBEMO CCN(CC)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526027 171238872 /nfs/dbraw/zinc/23/88/72/171238872.db2.gz SWAXGRFVLNDJNP-GFCCVEGCSA-N 1 1 265.357 2.587 10 5 CFBEMO CC[C@@H](C)C[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336978 173137371 /nfs/dbraw/zinc/13/73/71/173137371.db2.gz PRJOXHFCXQQZFE-LLVKDONJSA-N 1 1 264.325 2.755 10 5 CFBEMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037336978 173137374 /nfs/dbraw/zinc/13/73/74/173137374.db2.gz PRJOXHFCXQQZFE-LLVKDONJSA-N 1 1 264.325 2.755 10 5 CFBEMO COc1ccc(NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040623985 174356224 /nfs/dbraw/zinc/35/62/24/174356224.db2.gz LBJWUXVGLDYWKC-LBPRGKRZSA-N 1 1 293.367 2.746 10 5 CFBEMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000043474023 175054290 /nfs/dbraw/zinc/05/42/90/175054290.db2.gz BUCSQTXMGHITHA-MNOVXSKESA-N 1 1 281.331 2.876 10 5 CFBEMO C[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1cc(C)oc1C ZINC000043611678 175079205 /nfs/dbraw/zinc/07/92/05/175079205.db2.gz RGHKAUVQEVGHSR-LBPRGKRZSA-N 1 1 250.254 2.706 10 5 CFBEMO Cc1ccc(NC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000044563164 175206647 /nfs/dbraw/zinc/20/66/47/175206647.db2.gz UTMDWJUMXZRBHE-GFCCVEGCSA-N 1 1 263.341 2.799 10 5 CFBEMO CC(C)[N@H+]1CC[C@@H](CNc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045140365 175315465 /nfs/dbraw/zinc/31/54/65/175315465.db2.gz DCVWTODNBGDIRV-JTQLQIEISA-N 1 1 298.774 2.785 10 5 CFBEMO CC(C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000050815683 519718312 /nfs/dbraw/zinc/71/83/12/519718312.db2.gz XZAWTXMIOIRXMO-UHFFFAOYSA-N 1 1 263.341 2.797 10 5 CFBEMO CC(C)[C@@H](C[NH+](C)C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197427 519793946 /nfs/dbraw/zinc/79/39/46/519793946.db2.gz DUQNSNAPPRSLPY-TZMCWYRMSA-N 1 1 279.384 2.832 10 5 CFBEMO CCCNc1ccc(C[N@@H+](CC)CCOC)cc1[N+](=O)[O-] ZINC000050816672 520155329 /nfs/dbraw/zinc/15/53/29/520155329.db2.gz IIDUCVUGNNROEE-UHFFFAOYSA-N 1 1 295.383 2.885 10 5 CFBEMO CCNc1ccc(C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000050792624 520299465 /nfs/dbraw/zinc/29/94/65/520299465.db2.gz MPRQSAIKRADVHD-UHFFFAOYSA-N 1 1 251.330 2.867 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)[C@H](C)COC ZINC000050814983 520331074 /nfs/dbraw/zinc/33/10/74/520331074.db2.gz YCGBPGPIWUWCOL-GFCCVEGCSA-N 1 1 295.383 2.883 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061700676 521640463 /nfs/dbraw/zinc/64/04/63/521640463.db2.gz YZKURLGKZWFYIL-CYBMUJFWSA-N 1 1 263.341 2.799 10 5 CFBEMO CC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050812886 523177552 /nfs/dbraw/zinc/17/75/52/523177552.db2.gz AJVGPHQGZQNXFF-GFCCVEGCSA-N 1 1 263.341 2.942 10 5 CFBEMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050818194 523251483 /nfs/dbraw/zinc/25/14/83/523251483.db2.gz ISDHRXQUZBLSSP-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO Cc1ccc[nH+]c1NCCc1ccc([N+](=O)[O-])cc1 ZINC000051041048 525543765 /nfs/dbraw/zinc/54/37/65/525543765.db2.gz DLEPHQNGMMIQGL-UHFFFAOYSA-N 1 1 257.293 2.953 10 5 CFBEMO CC(C)C[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697365 618910933 /nfs/dbraw/zinc/91/09/33/618910933.db2.gz COGFXWKYONNTBH-LLVKDONJSA-N 1 1 276.296 2.691 10 5 CFBEMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094773956 650963185 /nfs/dbraw/zinc/96/31/85/650963185.db2.gz HKICXJSMYWMDLC-LBPRGKRZSA-N 1 1 280.299 2.535 10 5 CFBEMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094773956 650963187 /nfs/dbraw/zinc/96/31/87/650963187.db2.gz HKICXJSMYWMDLC-LBPRGKRZSA-N 1 1 280.299 2.535 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000086838872 179351648 /nfs/dbraw/zinc/35/16/48/179351648.db2.gz GUHGJHIKJXEIHH-GFCCVEGCSA-N 1 1 263.341 2.881 10 5 CFBEMO O=[N+]([O-])[C@]12Cc3ccccc3[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000225904508 348180639 /nfs/dbraw/zinc/18/06/39/348180639.db2.gz YHOPNRSCFKLSMQ-MSOLQXFVSA-N 1 1 294.354 2.858 10 5 CFBEMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602932223 351069168 /nfs/dbraw/zinc/06/91/68/351069168.db2.gz YNQADDQKBKHZGD-BXKDBHETSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602932223 351069169 /nfs/dbraw/zinc/06/91/69/351069169.db2.gz YNQADDQKBKHZGD-BXKDBHETSA-N 1 1 284.743 2.593 10 5 CFBEMO Cc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000093437407 375236183 /nfs/dbraw/zinc/23/61/83/375236183.db2.gz SPXSVIUIJZXWMI-DZGCQCFKSA-N 1 1 289.379 2.572 10 5 CFBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172802846 379649418 /nfs/dbraw/zinc/64/94/18/379649418.db2.gz KWFQXARKAWNMFX-CZUORRHYSA-N 1 1 289.379 2.826 10 5 CFBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000302768756 382313265 /nfs/dbraw/zinc/31/32/65/382313265.db2.gz MFJPEQBXKVIZHH-NSHDSACASA-N 1 1 283.759 2.779 10 5 CFBEMO CC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259017 382612348 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AOGWCZGEXRSRPO-AWEZNQCLSA-N 1 1 275.352 2.578 10 5 CFBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+]2CCC[C@H]2C1 ZINC000302805691 393495857 /nfs/dbraw/zinc/49/58/57/393495857.db2.gz FRRBWTYEEXWTTF-NSHDSACASA-N 1 1 295.770 2.841 10 5 CFBEMO C[C@H]([NH2+]Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000020526093 171238958 /nfs/dbraw/zinc/23/89/58/171238958.db2.gz ZCLHJFRTBYWDPM-NSHDSACASA-N 1 1 257.293 2.841 10 5 CFBEMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)c2)o1 ZINC000037246794 173060273 /nfs/dbraw/zinc/06/02/73/173060273.db2.gz GSKBOHMQRWAZSN-UHFFFAOYSA-N 1 1 250.229 2.617 10 5 CFBEMO CC(C)[C@@H](C)[N@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037338991 173140159 /nfs/dbraw/zinc/14/01/59/173140159.db2.gz BZPHWOZZZYZZSF-LLVKDONJSA-N 1 1 264.325 2.754 10 5 CFBEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037338991 173140162 /nfs/dbraw/zinc/14/01/62/173140162.db2.gz BZPHWOZZZYZZSF-LLVKDONJSA-N 1 1 264.325 2.754 10 5 CFBEMO CC(C)[C@H](C)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338972 173140253 /nfs/dbraw/zinc/14/02/53/173140253.db2.gz CVCDEBIGBWVRDL-NSHDSACASA-N 1 1 264.325 2.754 10 5 CFBEMO CC(C)[N@H+]1CC[C@H](CNc2cccc([N+](=O)[O-])c2)C1 ZINC000040623811 174355936 /nfs/dbraw/zinc/35/59/36/174355936.db2.gz MFTRIUXRFUAEPX-GFCCVEGCSA-N 1 1 263.341 2.737 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000040673593 174372115 /nfs/dbraw/zinc/37/21/15/174372115.db2.gz TUUBTCSCKFBJOC-NSHDSACASA-N 1 1 286.335 2.649 10 5 CFBEMO CC(C)(C)[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732008 175240856 /nfs/dbraw/zinc/24/08/56/175240856.db2.gz XHVSOPHNFMQXLN-JTQLQIEISA-N 1 1 276.296 2.691 10 5 CFBEMO CC(C)(C)[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732007 175240872 /nfs/dbraw/zinc/24/08/72/175240872.db2.gz XHVSOPHNFMQXLN-SNVBAGLBSA-N 1 1 276.296 2.691 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000312680207 270289249 /nfs/dbraw/zinc/28/92/49/270289249.db2.gz CXOZNVLORAMFPM-NSHDSACASA-N 1 1 281.331 2.939 10 5 CFBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949593 270310237 /nfs/dbraw/zinc/31/02/37/270310237.db2.gz HBSKSKVBMZGHDU-RNCFNFMXSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949593 270310239 /nfs/dbraw/zinc/31/02/39/270310239.db2.gz HBSKSKVBMZGHDU-RNCFNFMXSA-N 1 1 284.743 2.593 10 5 CFBEMO CCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813327 520152048 /nfs/dbraw/zinc/15/20/48/520152048.db2.gz RUSIZBQRPMHLLH-UHFFFAOYSA-N 1 1 251.330 2.799 10 5 CFBEMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814055 519811885 /nfs/dbraw/zinc/81/18/85/519811885.db2.gz OIAKRWMNLSXPHT-JTQLQIEISA-N 1 1 251.330 2.653 10 5 CFBEMO CCNc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000050815912 520299171 /nfs/dbraw/zinc/29/91/71/520299171.db2.gz VCUKOBGMPYZCLM-CYBMUJFWSA-N 1 1 293.367 2.637 10 5 CFBEMO CCNc1ccc(Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000050818414 520317045 /nfs/dbraw/zinc/31/70/45/520317045.db2.gz VRMGQAGHUPFIEI-UHFFFAOYSA-N 1 1 260.297 2.580 10 5 CFBEMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050815557 520523771 /nfs/dbraw/zinc/52/37/71/520523771.db2.gz NZRHNHCEOVJKEA-UHFFFAOYSA-N 1 1 295.383 2.621 10 5 CFBEMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813975 520646313 /nfs/dbraw/zinc/64/63/13/520646313.db2.gz FJDHIWIDDVPUFD-SNVBAGLBSA-N 1 1 251.330 2.797 10 5 CFBEMO CC[N@@H+](Cc1ccc(NC)c([N+](=O)[O-])c1)C(C)C ZINC000050812830 521323722 /nfs/dbraw/zinc/32/37/22/521323722.db2.gz ACIUHKTXFDTIPN-UHFFFAOYSA-N 1 1 251.330 2.867 10 5 CFBEMO CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000061570073 522578276 /nfs/dbraw/zinc/57/82/76/522578276.db2.gz JGWJPHRNKPPLBD-UHFFFAOYSA-N 1 1 259.265 2.546 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000052205609 523793414 /nfs/dbraw/zinc/79/34/14/523793414.db2.gz VPTBYXUNKSMJDT-CQSZACIVSA-N 1 1 277.368 2.559 10 5 CFBEMO Cc1c(CN[C@@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000049555703 525727070 /nfs/dbraw/zinc/72/70/70/525727070.db2.gz JUFSUQYBFICFGB-HNNXBMFYSA-N 1 1 293.411 2.969 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])C(C)C)n1 ZINC000050441172 526069392 /nfs/dbraw/zinc/06/93/92/526069392.db2.gz WXIPMHGVMHALTC-LLVKDONJSA-N 1 1 276.296 2.609 10 5 CFBEMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000093097805 618979156 /nfs/dbraw/zinc/97/91/56/618979156.db2.gz DXWDZCXOUIUSLL-CYBMUJFWSA-N 1 1 298.770 2.985 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098587 199343229 /nfs/dbraw/zinc/34/32/29/199343229.db2.gz UPUNPSVRXXZINB-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295098587 199343231 /nfs/dbraw/zinc/34/32/31/199343231.db2.gz UPUNPSVRXXZINB-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000063567585 346704141 /nfs/dbraw/zinc/70/41/41/346704141.db2.gz RFVFOPSTOCDIEB-HZPDHXFCSA-N 1 1 290.363 2.781 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000086817769 179346153 /nfs/dbraw/zinc/34/61/53/179346153.db2.gz DUOBHSFXSJIPKD-NSHDSACASA-N 1 1 267.304 2.630 10 5 CFBEMO CC[N@@H+]1CCC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311476198 348413168 /nfs/dbraw/zinc/41/31/68/348413168.db2.gz SEBKMVUHORNDIO-VIFPVBQESA-N 1 1 284.747 2.539 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311476198 348413170 /nfs/dbraw/zinc/41/31/70/348413170.db2.gz SEBKMVUHORNDIO-VIFPVBQESA-N 1 1 284.747 2.539 10 5 CFBEMO C[C@H](CNCc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000105489255 186059994 /nfs/dbraw/zinc/05/99/94/186059994.db2.gz WRBNLVJRLCKLMT-SNVBAGLBSA-N 1 1 297.786 2.821 10 5 CFBEMO C[C@H](CNCc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000105489255 186059995 /nfs/dbraw/zinc/05/99/95/186059995.db2.gz WRBNLVJRLCKLMT-SNVBAGLBSA-N 1 1 297.786 2.821 10 5 CFBEMO CC[C@H](NC(=O)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177796078 189070518 /nfs/dbraw/zinc/07/05/18/189070518.db2.gz AROGSVYCAVSGEU-AWEZNQCLSA-N 1 1 293.367 2.502 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000052120028 373438236 /nfs/dbraw/zinc/43/82/36/373438236.db2.gz OUTRLXSWBMTFBN-LLVKDONJSA-N 1 1 267.304 2.630 10 5 CFBEMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000131344510 377698128 /nfs/dbraw/zinc/69/81/28/377698128.db2.gz GDRQTHZCMOJXRG-NSHDSACASA-N 1 1 266.366 2.841 10 5 CFBEMO Cc1ccc(C[N@H+]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000131344510 377698133 /nfs/dbraw/zinc/69/81/33/377698133.db2.gz GDRQTHZCMOJXRG-NSHDSACASA-N 1 1 266.366 2.841 10 5 CFBEMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171690651 379373541 /nfs/dbraw/zinc/37/35/41/379373541.db2.gz GIMSBBMWTRZAOL-NSHDSACASA-N 1 1 266.366 2.575 10 5 CFBEMO CC[C@@H]([NH2+]Cc1[nH]ncc1C)c1cccc([N+](=O)[O-])c1 ZINC000289560155 381043592 /nfs/dbraw/zinc/04/35/92/381043592.db2.gz QWZHWYFLXNZRFY-CYBMUJFWSA-N 1 1 274.324 2.867 10 5 CFBEMO CC[C@@H]([NH2+]Cc1n[nH]cc1C)c1cccc([N+](=O)[O-])c1 ZINC000289560155 381043600 /nfs/dbraw/zinc/04/36/00/381043600.db2.gz QWZHWYFLXNZRFY-CYBMUJFWSA-N 1 1 274.324 2.867 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183336526 381258272 /nfs/dbraw/zinc/25/82/72/381258272.db2.gz NRULTQIWBFGLBY-MRXNPFEDSA-N 1 1 291.395 2.819 10 5 CFBEMO CCC[N@H+]1CC[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302821054 382326707 /nfs/dbraw/zinc/32/67/07/382326707.db2.gz QBPHHJAGEPJEFO-LLVKDONJSA-N 1 1 281.331 2.878 10 5 CFBEMO CCN(CC)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526026 171238863 /nfs/dbraw/zinc/23/88/63/171238863.db2.gz SWAXGRFVLNDJNP-LBPRGKRZSA-N 1 1 265.357 2.587 10 5 CFBEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNc1ccc([N+](=O)[O-])cc1)C2 ZINC000038019296 173996627 /nfs/dbraw/zinc/99/66/27/173996627.db2.gz PAMFEMYPVKBBOT-PHTAMDTFSA-N 1 1 275.352 2.880 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc3scnc3c2[N+](=O)[O-])C1 ZINC000040673510 174372448 /nfs/dbraw/zinc/37/24/48/174372448.db2.gz WNWGKSGUDPSCNM-SECBINFHSA-N 1 1 292.364 2.711 10 5 CFBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000070693828 176002130 /nfs/dbraw/zinc/00/21/30/176002130.db2.gz RFVFOPSTOCDIEB-HOTGVXAUSA-N 1 1 290.363 2.781 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[NH+]1CCSCC1 ZINC000050791873 520330657 /nfs/dbraw/zinc/33/06/57/520330657.db2.gz QSHQYCYHGNWJQV-UHFFFAOYSA-N 1 1 281.381 2.575 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000049231041 521626682 /nfs/dbraw/zinc/62/66/82/521626682.db2.gz YCZJOGGZKBFFJR-SECBINFHSA-N 1 1 284.747 2.539 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000050813799 522644164 /nfs/dbraw/zinc/64/41/64/522644164.db2.gz VPHTVTHCJQLRDR-SNVBAGLBSA-N 1 1 263.341 2.867 10 5 CFBEMO C[C@H](CN1CCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049150181 524315433 /nfs/dbraw/zinc/31/54/33/524315433.db2.gz KLGUCCZEQKFBFO-LLVKDONJSA-N 1 1 297.786 2.822 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000050441202 526067626 /nfs/dbraw/zinc/06/76/26/526067626.db2.gz YJTZUUXQZRDKFF-LLVKDONJSA-N 1 1 290.323 2.999 10 5 CFBEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295084509 199336683 /nfs/dbraw/zinc/33/66/83/199336683.db2.gz SMKIRCSLFDZCKX-RNCFNFMXSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295084509 199336685 /nfs/dbraw/zinc/33/66/85/199336685.db2.gz SMKIRCSLFDZCKX-RNCFNFMXSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294683217 199132318 /nfs/dbraw/zinc/13/23/18/199132318.db2.gz ABGZQWGXTIUTJV-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294683217 199132319 /nfs/dbraw/zinc/13/23/19/199132319.db2.gz ABGZQWGXTIUTJV-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO O=[N+]([O-])c1ccc(C[NH+]2CCCC2)c(Br)c1 ZINC000073639558 374362965 /nfs/dbraw/zinc/36/29/65/374362965.db2.gz GNFAFCVQJZLTCE-UHFFFAOYSA-N 1 1 285.141 2.953 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000175047056 379984664 /nfs/dbraw/zinc/98/46/64/379984664.db2.gz JXWGKXJEROCLDK-GDBMZVCRSA-N 1 1 289.379 2.653 10 5 CFBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000253356460 131142285 /nfs/dbraw/zinc/14/22/85/131142285.db2.gz RFVFOPSTOCDIEB-CVEARBPZSA-N 1 1 290.363 2.781 10 5 CFBEMO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020145974 171031803 /nfs/dbraw/zinc/03/18/03/171031803.db2.gz WAIKPJOBWOHQMF-SWLSCSKDSA-N 1 1 279.384 2.832 10 5 CFBEMO [NH3+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000035379568 172162212 /nfs/dbraw/zinc/16/22/12/172162212.db2.gz VBCANOFEYKIBAF-LLVKDONJSA-N 1 1 297.108 2.998 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc3scnc3c2[N+](=O)[O-])C1 ZINC000040673509 174372101 /nfs/dbraw/zinc/37/21/01/174372101.db2.gz WNWGKSGUDPSCNM-VIFPVBQESA-N 1 1 292.364 2.711 10 5 CFBEMO CC(C)(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000043571368 175068988 /nfs/dbraw/zinc/06/89/88/175068988.db2.gz GLBMZGMPZVQVAL-JTQLQIEISA-N 1 1 294.286 2.830 10 5 CFBEMO CC(C)C[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731991 175240935 /nfs/dbraw/zinc/24/09/35/175240935.db2.gz PCWKNKPXVTZKPI-JTQLQIEISA-N 1 1 276.296 2.691 10 5 CFBEMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189065 176064566 /nfs/dbraw/zinc/06/45/66/176064566.db2.gz JEOLEMDNASJFJT-GFCCVEGCSA-N 1 1 297.786 2.632 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094659467 265248730 /nfs/dbraw/zinc/24/87/30/265248730.db2.gz GSVCREJZHXLHON-LBPRGKRZSA-N 1 1 263.341 2.799 10 5 CFBEMO Cc1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000275461791 281229177 /nfs/dbraw/zinc/22/91/77/281229177.db2.gz MUMUTZPXNYFCSG-CYBMUJFWSA-N 1 1 275.352 2.578 10 5 CFBEMO CC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813061 522063845 /nfs/dbraw/zinc/06/38/45/522063845.db2.gz HQNWKTBYYMWYKU-SNVBAGLBSA-N 1 1 251.330 2.867 10 5 CFBEMO CCCNc1ccc([N+](=O)[O-])cc1C[NH+]1CCSCC1 ZINC000050791874 520170873 /nfs/dbraw/zinc/17/08/73/520170873.db2.gz ULSYAKFBWLWSIB-UHFFFAOYSA-N 1 1 295.408 2.966 10 5 CFBEMO CCNc1ccc(C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000050791870 520304561 /nfs/dbraw/zinc/30/45/61/520304561.db2.gz SXOSEOGTSAFYRY-UHFFFAOYSA-N 1 1 281.381 2.575 10 5 CFBEMO CNc1ccc(C[N@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000050814040 522606301 /nfs/dbraw/zinc/60/63/01/522606301.db2.gz QCDWDYMPNIRUPN-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CNc1ccc(C[N@@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000050814040 522606308 /nfs/dbraw/zinc/60/63/08/522606308.db2.gz QCDWDYMPNIRUPN-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000050813314 522645990 /nfs/dbraw/zinc/64/59/90/522645990.db2.gz CPWMPGJQDAXGSZ-GFCCVEGCSA-N 1 1 281.381 2.574 10 5 CFBEMO C[N@@H+](Cc1ccc(NN)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000051146899 523265708 /nfs/dbraw/zinc/26/57/08/523265708.db2.gz OKGRARGMFYTNBG-UHFFFAOYSA-N 1 1 278.356 2.645 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000052205611 523797321 /nfs/dbraw/zinc/79/73/21/523797321.db2.gz VPTBYXUNKSMJDT-AWEZNQCLSA-N 1 1 277.368 2.559 10 5 CFBEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049149957 524319174 /nfs/dbraw/zinc/31/91/74/524319174.db2.gz ATXPPFVVCPXKSW-OLZOCXBDSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H]([NH3+])C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157888812 524992944 /nfs/dbraw/zinc/99/29/44/524992944.db2.gz HCPJXVUOZXRFLU-SNVBAGLBSA-N 1 1 297.786 2.807 10 5 CFBEMO Cc1c(CN2CC[N@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246145118 525705444 /nfs/dbraw/zinc/70/54/44/525705444.db2.gz FHIIIBLDEXOHHG-HNNXBMFYSA-N 1 1 289.379 2.573 10 5 CFBEMO CC[C@H]([NH2+]Cc1nc(C)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594938601 349518949 /nfs/dbraw/zinc/51/89/49/349518949.db2.gz MJAGYIXLFGMMSQ-ZDUSSCGKSA-N 1 1 274.324 2.867 10 5 CFBEMO C[C@@H](CNCc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000105489250 186060173 /nfs/dbraw/zinc/06/01/73/186060173.db2.gz WRBNLVJRLCKLMT-JTQLQIEISA-N 1 1 297.786 2.821 10 5 CFBEMO C[C@@H](CNCc1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000105489250 186060174 /nfs/dbraw/zinc/06/01/74/186060174.db2.gz WRBNLVJRLCKLMT-JTQLQIEISA-N 1 1 297.786 2.821 10 5 CFBEMO [NH3+]CC(F)(F)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000162660445 188583596 /nfs/dbraw/zinc/58/35/96/188583596.db2.gz XLZDPAZFEYQDJK-UHFFFAOYSA-N 1 1 299.199 2.620 10 5 CFBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cs1 ZINC000177100255 189028378 /nfs/dbraw/zinc/02/83/78/189028378.db2.gz ZGBZRADGWAWVGP-LBPRGKRZSA-N 1 1 292.364 2.517 10 5 CFBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cs1 ZINC000177100255 189028379 /nfs/dbraw/zinc/02/83/79/189028379.db2.gz ZGBZRADGWAWVGP-LBPRGKRZSA-N 1 1 292.364 2.517 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000175056036 379987162 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CC[N@@H+]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502642 174299062 /nfs/dbraw/zinc/29/90/62/174299062.db2.gz WGWXAAFHSKXCJJ-GFCCVEGCSA-N 1 1 297.786 2.822 10 5 CFBEMO CC[N@H+]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040502642 174299063 /nfs/dbraw/zinc/29/90/63/174299063.db2.gz WGWXAAFHSKXCJJ-GFCCVEGCSA-N 1 1 297.786 2.822 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040673511 174371942 /nfs/dbraw/zinc/37/19/42/174371942.db2.gz BUIZIFZEJCDFPK-VIFPVBQESA-N 1 1 269.732 2.754 10 5 CFBEMO C[N@H+]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000040673489 174372086 /nfs/dbraw/zinc/37/20/86/174372086.db2.gz QRSRFVUWKXDUMW-NSHDSACASA-N 1 1 286.335 2.649 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040673512 174372239 /nfs/dbraw/zinc/37/22/39/174372239.db2.gz BUIZIFZEJCDFPK-SECBINFHSA-N 1 1 269.732 2.754 10 5 CFBEMO CCC[NH2+]Cc1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000044652036 175225030 /nfs/dbraw/zinc/22/50/30/175225030.db2.gz 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C[C@@H]1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1C ZINC000050814427 524235570 /nfs/dbraw/zinc/23/55/70/524235570.db2.gz ZVBMXQNKWWEVMM-GHMZBOCLSA-N 1 1 263.341 2.797 10 5 CFBEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000050565906 525639436 /nfs/dbraw/zinc/63/94/36/525639436.db2.gz UFLXZNIRQWVYOU-NWDGAFQWSA-N 1 1 276.336 2.898 10 5 CFBEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000050565906 525639440 /nfs/dbraw/zinc/63/94/40/525639440.db2.gz UFLXZNIRQWVYOU-NWDGAFQWSA-N 1 1 276.336 2.898 10 5 CFBEMO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000142545810 347934818 /nfs/dbraw/zinc/93/48/18/347934818.db2.gz QYONTZYOJSVPEE-JTQLQIEISA-N 1 1 290.241 2.697 10 5 CFBEMO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000062998824 373778876 /nfs/dbraw/zinc/77/88/76/373778876.db2.gz DUQWYAREYAQRHT-SWLSCSKDSA-N 1 1 286.331 2.979 10 5 CFBEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151842527 378364086 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CFBEMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000037058855 172924604 /nfs/dbraw/zinc/92/46/04/172924604.db2.gz CHEQLELFFUBLPI-NWDGAFQWSA-N 1 1 263.341 2.737 10 5 CFBEMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cc2)o1 ZINC000037211071 173033216 /nfs/dbraw/zinc/03/32/16/173033216.db2.gz BQRVBCPRZODZON-UHFFFAOYSA-N 1 1 250.229 2.617 10 5 CFBEMO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000040622529 174355824 /nfs/dbraw/zinc/35/58/24/174355824.db2.gz UWGBUHCLEULMJT-KBPBESRZSA-N 1 1 291.395 2.976 10 5 CFBEMO COc1ccc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040623982 174356475 /nfs/dbraw/zinc/35/64/75/174356475.db2.gz LBJWUXVGLDYWKC-GFCCVEGCSA-N 1 1 293.367 2.746 10 5 CFBEMO C[N@@H+]1CCCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044561434 175204808 /nfs/dbraw/zinc/20/48/08/175204808.db2.gz LIKFCCFFVOREQC-ZDUSSCGKSA-N 1 1 297.786 2.822 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044561434 175204809 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C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260850 270327844 /nfs/dbraw/zinc/32/78/44/270327844.db2.gz SXMAAULWNFSMKH-JOYOIKCWSA-N 1 1 284.743 2.593 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052762666 275033298 /nfs/dbraw/zinc/03/32/98/275033298.db2.gz KTWQQGDIOMDXPE-ZDUSSCGKSA-N 1 1 298.770 2.985 10 5 CFBEMO CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050813198 521502148 /nfs/dbraw/zinc/50/21/48/521502148.db2.gz AARUYWHNKGOSNO-UHFFFAOYSA-N 1 1 251.330 2.868 10 5 CFBEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246457799 519692794 /nfs/dbraw/zinc/69/27/94/519692794.db2.gz YPMAEBPHCIHALJ-DVOMOZLQSA-N 1 1 291.395 2.974 10 5 CFBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246457799 519692795 /nfs/dbraw/zinc/69/27/95/519692795.db2.gz YPMAEBPHCIHALJ-DVOMOZLQSA-N 1 1 291.395 2.974 10 5 CFBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCOC ZINC000050816675 520171496 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C[N@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813527 523484579 /nfs/dbraw/zinc/48/45/79/523484579.db2.gz KMPSAOBKDXZUPE-UHFFFAOYSA-N 1 1 277.349 2.871 10 5 CFBEMO C[N@@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813527 523484591 /nfs/dbraw/zinc/48/45/91/523484591.db2.gz KMPSAOBKDXZUPE-UHFFFAOYSA-N 1 1 277.349 2.871 10 5 CFBEMO C[N@@H+]1CCCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443960 523795840 /nfs/dbraw/zinc/79/58/40/523795840.db2.gz FKXYEHUJJIYJNK-CYBMUJFWSA-N 1 1 297.786 2.822 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443960 523795845 /nfs/dbraw/zinc/79/58/45/523795845.db2.gz FKXYEHUJJIYJNK-CYBMUJFWSA-N 1 1 297.786 2.822 10 5 CFBEMO Nc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2C1 ZINC000050792720 527504158 /nfs/dbraw/zinc/50/41/58/527504158.db2.gz HDKWOXIFBOQVTO-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccccc2C1 ZINC000050792720 527504161 /nfs/dbraw/zinc/50/41/61/527504161.db2.gz HDKWOXIFBOQVTO-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000175352114 624949291 /nfs/dbraw/zinc/94/92/91/624949291.db2.gz FTOWHMUJWMVHPL-CQSZACIVSA-N 1 1 295.358 2.650 10 5 CFBEMO C[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818690 179347321 /nfs/dbraw/zinc/34/73/21/179347321.db2.gz AXPVAOMPBLDCIK-TZMCWYRMSA-N 1 1 277.368 2.730 10 5 CFBEMO CC[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000080584558 374662730 /nfs/dbraw/zinc/66/27/30/374662730.db2.gz ASBVUFWITJWNLE-GFCCVEGCSA-N 1 1 260.297 2.559 10 5 CFBEMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000105468590 375790345 /nfs/dbraw/zinc/79/03/45/375790345.db2.gz MWMNQNJQHAREPC-CQSZACIVSA-N 1 1 270.288 2.818 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000334280890 379026837 /nfs/dbraw/zinc/02/68/37/379026837.db2.gz RWZKHIMWSHKAAZ-GWCFXTLKSA-N 1 1 250.273 2.718 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000334280890 379026841 /nfs/dbraw/zinc/02/68/41/379026841.db2.gz RWZKHIMWSHKAAZ-GWCFXTLKSA-N 1 1 250.273 2.718 10 5 CFBEMO COc1cccc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000185552224 381663438 /nfs/dbraw/zinc/66/34/38/381663438.db2.gz WRAZUYASXZTYBO-YPMHNXCESA-N 1 1 293.367 2.744 10 5 CFBEMO CC[N@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000389257695 382612700 /nfs/dbraw/zinc/61/27/00/382612700.db2.gz COGCLBXVSRGFEC-SNVBAGLBSA-N 1 1 267.304 2.548 10 5 CFBEMO C[C@@H]([NH2+]Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037176980 173010524 /nfs/dbraw/zinc/01/05/24/173010524.db2.gz NFRBQDOMEGYZEH-LLVKDONJSA-N 1 1 257.293 2.841 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000040673508 174372366 /nfs/dbraw/zinc/37/23/66/174372366.db2.gz DGPDNCBLMIOPFI-GFCCVEGCSA-N 1 1 286.335 2.649 10 5 CFBEMO CCCC[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732006 175240955 /nfs/dbraw/zinc/24/09/55/175240955.db2.gz MPBSZFCKMLISKS-SNVBAGLBSA-N 1 1 276.296 2.835 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000061700872 521625562 /nfs/dbraw/zinc/62/55/62/521625562.db2.gz YKYSBHXWLJGQKM-CYBMUJFWSA-N 1 1 263.341 2.799 10 5 CFBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)COC ZINC000050815228 520170695 /nfs/dbraw/zinc/17/06/95/520170695.db2.gz SHWZVMKAQQKKDO-GFCCVEGCSA-N 1 1 295.383 2.883 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)[C@@H](C)COC ZINC000050814982 520330432 /nfs/dbraw/zinc/33/04/32/520330432.db2.gz YCGBPGPIWUWCOL-LBPRGKRZSA-N 1 1 295.383 2.883 10 5 CFBEMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1NC)C(C)C ZINC000050812834 521293324 /nfs/dbraw/zinc/29/33/24/521293324.db2.gz IWGALMTVLLYKPG-UHFFFAOYSA-N 1 1 251.330 2.867 10 5 CFBEMO CNc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813308 522607913 /nfs/dbraw/zinc/60/79/13/522607913.db2.gz XYAUPEZGIMTNRR-LLVKDONJSA-N 1 1 281.381 2.574 10 5 CFBEMO [NH3+]CC[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157892377 527194698 /nfs/dbraw/zinc/19/46/98/527194698.db2.gz AOCPQVHCLRQLKY-LLVKDONJSA-N 1 1 297.786 2.809 10 5 CFBEMO CO[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431605 347943896 /nfs/dbraw/zinc/94/38/96/347943896.db2.gz XSSJNERTFYGTSL-BXUZGUMPSA-N 1 1 264.325 2.594 10 5 CFBEMO C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000086818692 179347393 /nfs/dbraw/zinc/34/73/93/179347393.db2.gz AXPVAOMPBLDCIK-OCCSQVGLSA-N 1 1 277.368 2.730 10 5 CFBEMO CC[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000584624317 348693482 /nfs/dbraw/zinc/69/34/82/348693482.db2.gz VZRUBLFVTDSPBT-OAHLLOKOSA-N 1 1 275.352 2.517 10 5 CFBEMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152507399 378422442 /nfs/dbraw/zinc/42/24/42/378422442.db2.gz NSLDZJZLIJBGII-INIZCTEOSA-N 1 1 299.330 2.643 10 5 CFBEMO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171690679 379373773 /nfs/dbraw/zinc/37/37/73/379373773.db2.gz HRTCGKYNISSLDC-JTQLQIEISA-N 1 1 252.339 2.532 10 5 CFBEMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171690679 379373781 /nfs/dbraw/zinc/37/37/81/379373781.db2.gz HRTCGKYNISSLDC-JTQLQIEISA-N 1 1 252.339 2.532 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000175332169 380045255 /nfs/dbraw/zinc/04/52/55/380045255.db2.gz WWWZAHJOAHJYPS-GFCCVEGCSA-N 1 1 283.397 2.572 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958235 393483574 /nfs/dbraw/zinc/48/35/74/393483574.db2.gz OEXJHZIRPMVRMO-ZFWWWQNUSA-N 1 1 289.379 2.966 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000182761210 292296130 /nfs/dbraw/zinc/29/61/30/292296130.db2.gz DCEMTBWHKLKCAJ-DZGCQCFKSA-N 1 1 289.379 2.744 10 5 CFBEMO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020145975 171031942 /nfs/dbraw/zinc/03/19/42/171031942.db2.gz WAIKPJOBWOHQMF-WFASDCNBSA-N 1 1 279.384 2.832 10 5 CFBEMO CC[N@H+](CC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000037336243 173136830 /nfs/dbraw/zinc/13/68/30/173136830.db2.gz SIFIAQHMDJPQFM-UHFFFAOYSA-N 1 1 264.325 2.755 10 5 CFBEMO CC(C)[N@H+]1CC[C@@H](CNc2cccc([N+](=O)[O-])c2)C1 ZINC000040623814 174355872 /nfs/dbraw/zinc/35/58/72/174355872.db2.gz MFTRIUXRFUAEPX-LBPRGKRZSA-N 1 1 263.341 2.737 10 5 CFBEMO Cn1cc[nH+]c1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000040639652 174363569 /nfs/dbraw/zinc/36/35/69/174363569.db2.gz NVFNKUKIEOOABP-UHFFFAOYSA-N 1 1 280.715 2.636 10 5 CFBEMO C[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1cc(C)oc1C ZINC000043611680 175078998 /nfs/dbraw/zinc/07/89/98/175078998.db2.gz RGHKAUVQEVGHSR-GFCCVEGCSA-N 1 1 250.254 2.706 10 5 CFBEMO CC(C)CC[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817648 519651117 /nfs/dbraw/zinc/65/11/17/519651117.db2.gz DLKFWSGQSKFIAS-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO CNc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813309 522605926 /nfs/dbraw/zinc/60/59/26/522605926.db2.gz XYAUPEZGIMTNRR-NSHDSACASA-N 1 1 281.381 2.574 10 5 CFBEMO CC[C@H]1CCCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050812885 523029995 /nfs/dbraw/zinc/02/99/95/523029995.db2.gz RGNHEBRWFLRXCO-LBPRGKRZSA-N 1 1 263.341 2.942 10 5 CFBEMO CC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813062 523922876 /nfs/dbraw/zinc/92/28/76/523922876.db2.gz HQNWKTBYYMWYKU-JTQLQIEISA-N 1 1 251.330 2.867 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]([NH3+])C(C)C)n1 ZINC000050441173 526067649 /nfs/dbraw/zinc/06/76/49/526067649.db2.gz WXIPMHGVMHALTC-NSHDSACASA-N 1 1 276.296 2.609 10 5 CFBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CCCO)ccc1Cl ZINC000052759535 618195671 /nfs/dbraw/zinc/19/56/71/618195671.db2.gz LOMKVYDQAZMAPM-GFCCVEGCSA-N 1 1 298.770 2.985 10 5 CFBEMO CO[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145431412 347943865 /nfs/dbraw/zinc/94/38/65/347943865.db2.gz XSSJNERTFYGTSL-SMDDNHRTSA-N 1 1 264.325 2.594 10 5 CFBEMO CCC[NH2+]CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000122225217 187022195 /nfs/dbraw/zinc/02/21/95/187022195.db2.gz VKRYUBOXHNAZJN-UHFFFAOYSA-N 1 1 288.351 2.863 10 5 CFBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000131431736 377711712 /nfs/dbraw/zinc/71/17/12/377711712.db2.gz UTDSPURRBUHVJR-GFCCVEGCSA-N 1 1 278.356 2.522 10 5 CFBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000302768755 382312870 /nfs/dbraw/zinc/31/28/70/382312870.db2.gz MFJPEQBXKVIZHH-LLVKDONJSA-N 1 1 283.759 2.779 10 5 CFBEMO C[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000035463507 172211434 /nfs/dbraw/zinc/21/14/34/172211434.db2.gz GKCZWLUKTKLOFC-GFCCVEGCSA-N 1 1 250.229 2.636 10 5 CFBEMO CCC[N@H+](CC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000037335096 173135786 /nfs/dbraw/zinc/13/57/86/173135786.db2.gz JRXFDHDIJRABTL-UHFFFAOYSA-N 1 1 264.325 2.898 10 5 CFBEMO CCC[N@@H+](CC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000037335096 173135788 /nfs/dbraw/zinc/13/57/88/173135788.db2.gz JRXFDHDIJRABTL-UHFFFAOYSA-N 1 1 264.325 2.898 10 5 CFBEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338971 173140805 /nfs/dbraw/zinc/14/08/05/173140805.db2.gz CVCDEBIGBWVRDL-LLVKDONJSA-N 1 1 264.325 2.754 10 5 CFBEMO C[N@H+]1CCC[C@H]1CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000040240551 174213637 /nfs/dbraw/zinc/21/36/37/174213637.db2.gz OBOZZSGUEOMRJQ-VIFPVBQESA-N 1 1 285.731 2.506 10 5 CFBEMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000043474017 175054045 /nfs/dbraw/zinc/05/40/45/175054045.db2.gz BUCSQTXMGHITHA-WDEREUQCSA-N 1 1 281.331 2.876 10 5 CFBEMO CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731981 175240964 /nfs/dbraw/zinc/24/09/64/175240964.db2.gz NWFIWQQMERYLMA-LDYMZIIASA-N 1 1 276.296 2.691 10 5 CFBEMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000062998823 278367133 /nfs/dbraw/zinc/36/71/33/278367133.db2.gz DUQWYAREYAQRHT-DOMZBBRYSA-N 1 1 286.331 2.979 10 5 CFBEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246457815 519695440 /nfs/dbraw/zinc/69/54/40/519695440.db2.gz YPMAEBPHCIHALJ-HEHGZKQESA-N 1 1 291.395 2.974 10 5 CFBEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246457815 519695442 /nfs/dbraw/zinc/69/54/42/519695442.db2.gz YPMAEBPHCIHALJ-HEHGZKQESA-N 1 1 291.395 2.974 10 5 CFBEMO CC(C)[C@@H](C[NH+](C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443742 519793846 /nfs/dbraw/zinc/79/38/46/519793846.db2.gz IIJSZDKUDHVYGY-CYBMUJFWSA-N 1 1 299.802 2.924 10 5 CFBEMO CC(C)[C@H](CN(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049197628 519814517 /nfs/dbraw/zinc/81/45/17/519814517.db2.gz QPUUENQIFOCTDG-AWEZNQCLSA-N 1 1 299.802 2.924 10 5 CFBEMO CCCNc1ccc(C[N@@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050817933 520155401 /nfs/dbraw/zinc/15/54/01/520155401.db2.gz PUWHAEFFEYGQIV-UHFFFAOYSA-N 1 1 295.383 2.619 10 5 CFBEMO CCCC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815432 520544304 /nfs/dbraw/zinc/54/43/04/520544304.db2.gz YVMKRVZLPMVILD-UHFFFAOYSA-N 1 1 263.341 2.942 10 5 CFBEMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1NC)C[C@@H]1CCCO1 ZINC000050815167 521296833 /nfs/dbraw/zinc/29/68/33/521296833.db2.gz GIGZDMQNRWEUSA-AWEZNQCLSA-N 1 1 293.367 2.637 10 5 CFBEMO CNc1ccc(C[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000050812984 522606652 /nfs/dbraw/zinc/60/66/52/522606652.db2.gz VRSYDLMVWJWNJV-UHFFFAOYSA-N 1 1 251.330 2.724 10 5 CFBEMO CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C1 ZINC000050813836 523090583 /nfs/dbraw/zinc/09/05/83/523090583.db2.gz ACPWGSSMTUYDDD-NSHDSACASA-N 1 1 263.341 2.799 10 5 CFBEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049150096 524591726 /nfs/dbraw/zinc/59/17/26/524591726.db2.gz LFRPYRSYAPIPJF-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443723 524593074 /nfs/dbraw/zinc/59/30/74/524593074.db2.gz PXBMVKFORSUWKY-NSHDSACASA-N 1 1 297.786 2.822 10 5 CFBEMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070256 527385986 /nfs/dbraw/zinc/38/59/86/527385986.db2.gz ODUFEELKJSVKLY-AWEZNQCLSA-N 1 1 270.288 2.818 10 5 CFBEMO Cc1cc(NC2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122221856 347815190 /nfs/dbraw/zinc/81/51/90/347815190.db2.gz TVSFDRSQJFYJAK-UHFFFAOYSA-N 1 1 286.335 2.615 10 5 CFBEMO CC[N@@H+]1CCC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311476197 348413100 /nfs/dbraw/zinc/41/31/00/348413100.db2.gz SEBKMVUHORNDIO-SECBINFHSA-N 1 1 284.747 2.539 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000311476197 348413106 /nfs/dbraw/zinc/41/31/06/348413106.db2.gz SEBKMVUHORNDIO-SECBINFHSA-N 1 1 284.747 2.539 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301463466 201018537 /nfs/dbraw/zinc/01/85/37/201018537.db2.gz FUGZUSHGZCVLRM-LBPRGKRZSA-N 1 1 281.331 2.654 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000092665172 375138030 /nfs/dbraw/zinc/13/80/30/375138030.db2.gz QXCOXOFDQKXBGL-LLVKDONJSA-N 1 1 281.331 2.654 10 5 CFBEMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000037562553 184540511 /nfs/dbraw/zinc/54/05/11/184540511.db2.gz CVVKBIDXENUYLO-SECBINFHSA-N 1 1 263.322 2.902 10 5 CFBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000248748545 285126280 /nfs/dbraw/zinc/12/62/80/285126280.db2.gz FTPAXXMEUCNTSX-NSHDSACASA-N 1 1 281.743 2.533 10 5 CFBEMO Cc1c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247154716 131100799 /nfs/dbraw/zinc/10/07/99/131100799.db2.gz KFSWXXVUYNZDDD-DOMZBBRYSA-N 1 1 289.379 2.572 10 5 CFBEMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009997515 170394158 /nfs/dbraw/zinc/39/41/58/170394158.db2.gz XJPOGIQQAZGDTG-VXGBXAGGSA-N 1 1 276.336 2.755 10 5 CFBEMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC000035693271 172362432 /nfs/dbraw/zinc/36/24/32/172362432.db2.gz XLFNMYIZKJEMQE-JTQLQIEISA-N 1 1 275.283 2.980 10 5 CFBEMO C[C@H](C1CC1)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338716 173140461 /nfs/dbraw/zinc/14/04/61/173140461.db2.gz XMAYGSNNLYSDIJ-SNVBAGLBSA-N 1 1 262.309 2.508 10 5 CFBEMO C[C@H](C1CC1)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338716 173140463 /nfs/dbraw/zinc/14/04/63/173140463.db2.gz XMAYGSNNLYSDIJ-SNVBAGLBSA-N 1 1 262.309 2.508 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040503203 174299503 /nfs/dbraw/zinc/29/95/03/174299503.db2.gz CNDZADDITVLHJH-NSHDSACASA-N 1 1 267.304 2.630 10 5 CFBEMO CC(C)[N@H+]1CC[C@H](CNc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000040623945 174355844 /nfs/dbraw/zinc/35/58/44/174355844.db2.gz DAOLVBOKTDCBGL-LLVKDONJSA-N 1 1 281.331 2.876 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094659468 265248796 /nfs/dbraw/zinc/24/87/96/265248796.db2.gz GSVCREJZHXLHON-GFCCVEGCSA-N 1 1 263.341 2.799 10 5 CFBEMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1N)CC1CC1 ZINC000050817600 519653991 /nfs/dbraw/zinc/65/39/91/519653991.db2.gz RKXDOFJVNVAMHS-UHFFFAOYSA-N 1 1 263.341 2.797 10 5 CFBEMO CC(C)C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815682 519718393 /nfs/dbraw/zinc/71/83/93/519718393.db2.gz WUJWYOHNEYFNTM-UHFFFAOYSA-N 1 1 263.341 2.797 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000311717277 521650066 /nfs/dbraw/zinc/65/00/66/521650066.db2.gz TXJDJNSSKGAGKZ-JTQLQIEISA-N 1 1 267.304 2.630 10 5 CFBEMO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441180 521840390 /nfs/dbraw/zinc/84/03/90/521840390.db2.gz KUAIOINEMFASOR-QPUJVOFHSA-N 1 1 290.323 2.999 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000050792481 522645117 /nfs/dbraw/zinc/64/51/17/522645117.db2.gz OHZQCSWGHZKWAE-LLVKDONJSA-N 1 1 263.341 2.868 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000245429785 523321650 /nfs/dbraw/zinc/32/16/50/523321650.db2.gz NHPCKUGXXSKHAB-GJZGRUSLSA-N 1 1 289.379 2.653 10 5 CFBEMO C[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813481 523446460 /nfs/dbraw/zinc/44/64/60/523446460.db2.gz NWUIZRWPSYOPLM-UHFFFAOYSA-N 1 1 277.349 2.871 10 5 CFBEMO C[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813481 523446467 /nfs/dbraw/zinc/44/64/67/523446467.db2.gz NWUIZRWPSYOPLM-UHFFFAOYSA-N 1 1 277.349 2.871 10 5 CFBEMO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049501349 524608314 /nfs/dbraw/zinc/60/83/14/524608314.db2.gz SGQKZJVXZPOHDL-LBPRGKRZSA-N 1 1 295.358 2.698 10 5 CFBEMO Cc1occc1C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817708 526823228 /nfs/dbraw/zinc/82/32/28/526823228.db2.gz XCRZNAAATULRNJ-UHFFFAOYSA-N 1 1 275.308 2.710 10 5 CFBEMO Cc1occc1C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817708 526823234 /nfs/dbraw/zinc/82/32/34/526823234.db2.gz XCRZNAAATULRNJ-UHFFFAOYSA-N 1 1 275.308 2.710 10 5 CFBEMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000160543612 527348713 /nfs/dbraw/zinc/34/87/13/527348713.db2.gz VWMBVUPKCKKCBM-UHFFFAOYSA-N 1 1 286.335 2.698 10 5 CFBEMO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094773955 650963366 /nfs/dbraw/zinc/96/33/66/650963366.db2.gz HKICXJSMYWMDLC-GFCCVEGCSA-N 1 1 280.299 2.535 10 5 CFBEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094773955 650963369 /nfs/dbraw/zinc/96/33/69/650963369.db2.gz HKICXJSMYWMDLC-GFCCVEGCSA-N 1 1 280.299 2.535 10 5 CFBEMO CC[C@@H]([NH2+]Cc1ccnc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000038037493 346337052 /nfs/dbraw/zinc/33/70/52/346337052.db2.gz FHHVJJWCBKNTNI-OAHLLOKOSA-N 1 1 286.335 2.934 10 5 CFBEMO C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000142546027 347934864 /nfs/dbraw/zinc/93/48/64/347934864.db2.gz QYONTZYOJSVPEE-SNVBAGLBSA-N 1 1 290.241 2.697 10 5 CFBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172802842 379648374 /nfs/dbraw/zinc/64/83/74/379648374.db2.gz KWFQXARKAWNMFX-XJKSGUPXSA-N 1 1 289.379 2.826 10 5 CFBEMO C[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000346948579 382581132 /nfs/dbraw/zinc/58/11/32/382581132.db2.gz QLRAJEDHJDYNCR-SNVBAGLBSA-N 1 1 275.283 2.980 10 5 CFBEMO Cc1c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247154725 131101610 /nfs/dbraw/zinc/10/16/10/131101610.db2.gz KFSWXXVUYNZDDD-IUODEOHRSA-N 1 1 289.379 2.572 10 5 CFBEMO Cc1cccc(N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000275461801 394046948 /nfs/dbraw/zinc/04/69/48/394046948.db2.gz MUMUTZPXNYFCSG-ZDUSSCGKSA-N 1 1 275.352 2.578 10 5 CFBEMO O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000238850482 397627452 /nfs/dbraw/zinc/62/74/52/397627452.db2.gz BVUNFAAOQWGVQX-IRXDYDNUSA-N 1 1 282.343 2.931 10 5 CFBEMO CC(C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020145977 171032012 /nfs/dbraw/zinc/03/20/12/171032012.db2.gz WAIKPJOBWOHQMF-DOMZBBRYSA-N 1 1 279.384 2.832 10 5 CFBEMO CCc1ccc([C@H]([NH3+])c2ccc([N+](=O)[O-])o2)s1 ZINC000035380812 172163800 /nfs/dbraw/zinc/16/38/00/172163800.db2.gz BGPZCOSSFQYSAT-LLVKDONJSA-N 1 1 252.295 2.860 10 5 CFBEMO CCC[N@H+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037334861 173135544 /nfs/dbraw/zinc/13/55/44/173135544.db2.gz GTUKAVYWJONYQI-UHFFFAOYSA-N 1 1 250.298 2.509 10 5 CFBEMO CCC[N@@H+](CC)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037334861 173135547 /nfs/dbraw/zinc/13/55/47/173135547.db2.gz GTUKAVYWJONYQI-UHFFFAOYSA-N 1 1 250.298 2.509 10 5 CFBEMO CC[C@H](C)[N@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037335943 173136549 /nfs/dbraw/zinc/13/65/49/173136549.db2.gz UOWUBSBSJWVGCB-JTQLQIEISA-N 1 1 250.298 2.508 10 5 CFBEMO CC[C@H](C)[N@@H+](C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037335943 173136550 /nfs/dbraw/zinc/13/65/50/173136550.db2.gz UOWUBSBSJWVGCB-JTQLQIEISA-N 1 1 250.298 2.508 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040503200 174299748 /nfs/dbraw/zinc/29/97/48/174299748.db2.gz YFXUAVVNUMHANV-SNVBAGLBSA-N 1 1 267.304 2.630 10 5 CFBEMO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535619 175198518 /nfs/dbraw/zinc/19/85/18/175198518.db2.gz RWVBWAMRSMDFPK-QWHCGFSZSA-N 1 1 277.368 2.587 10 5 CFBEMO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535619 175198519 /nfs/dbraw/zinc/19/85/19/175198519.db2.gz RWVBWAMRSMDFPK-QWHCGFSZSA-N 1 1 277.368 2.587 10 5 CFBEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260848 270327617 /nfs/dbraw/zinc/32/76/17/270327617.db2.gz SXMAAULWNFSMKH-CABZTGNLSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000399260848 270327615 /nfs/dbraw/zinc/32/76/15/270327615.db2.gz SXMAAULWNFSMKH-CABZTGNLSA-N 1 1 284.743 2.593 10 5 CFBEMO CC(C)c1[nH+]ccn1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050829213 519879932 /nfs/dbraw/zinc/87/99/32/519879932.db2.gz UXBXXYHMQZJGAP-UHFFFAOYSA-N 1 1 260.297 2.545 10 5 CFBEMO CCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000050818049 520320328 /nfs/dbraw/zinc/32/03/28/520320328.db2.gz VKSZCXHMNUZIIL-CQSZACIVSA-N 1 1 293.367 2.637 10 5 CFBEMO C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000050817019 523260875 /nfs/dbraw/zinc/26/08/75/523260875.db2.gz PFDKSXYHUDQKMB-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]([NH3+])CC(C)C)n1 ZINC000050441188 526067497 /nfs/dbraw/zinc/06/74/97/526067497.db2.gz XBZRFLVOBAMSKE-LBPRGKRZSA-N 1 1 290.323 2.999 10 5 CFBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])CC(C)C)n1 ZINC000050441187 526069929 /nfs/dbraw/zinc/06/99/29/526069929.db2.gz XBZRFLVOBAMSKE-GFCCVEGCSA-N 1 1 290.323 2.999 10 5 CFBEMO Cc1occc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817709 526824110 /nfs/dbraw/zinc/82/41/10/526824110.db2.gz KYWSKDKGZMUJGA-UHFFFAOYSA-N 1 1 275.308 2.710 10 5 CFBEMO Cc1occc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817709 526824111 /nfs/dbraw/zinc/82/41/11/526824111.db2.gz KYWSKDKGZMUJGA-UHFFFAOYSA-N 1 1 275.308 2.710 10 5 CFBEMO CC(C)C[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697467 649299447 /nfs/dbraw/zinc/29/94/47/649299447.db2.gz QCQSYWFZXYJMHC-LLVKDONJSA-N 1 1 276.296 2.691 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295085700 199338175 /nfs/dbraw/zinc/33/81/75/199338175.db2.gz SMKIRCSLFDZCKX-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295085700 199338177 /nfs/dbraw/zinc/33/81/77/199338177.db2.gz SMKIRCSLFDZCKX-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c(F)c1 ZINC000334280896 379026619 /nfs/dbraw/zinc/02/66/19/379026619.db2.gz RWZKHIMWSHKAAZ-ZWNOBZJWSA-N 1 1 250.273 2.718 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)c(F)c1 ZINC000334280896 379026625 /nfs/dbraw/zinc/02/66/25/379026625.db2.gz RWZKHIMWSHKAAZ-ZWNOBZJWSA-N 1 1 250.273 2.718 10 5 CFBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000301253482 382122434 /nfs/dbraw/zinc/12/24/34/382122434.db2.gz SLDJIAVGAIMQNK-ZDUSSCGKSA-N 1 1 275.352 2.578 10 5 CFBEMO C[C@H]1CCC[N@@H+](CCNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302825099 382329077 /nfs/dbraw/zinc/32/90/77/382329077.db2.gz YEJKFXATKOAOQS-NSHDSACASA-N 1 1 281.331 2.878 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248650732 393913008 /nfs/dbraw/zinc/91/30/08/393913008.db2.gz UTKHQMDKBTXVAC-CJNGLKHVSA-N 1 1 289.379 2.572 10 5 CFBEMO COc1ccc([C@H]([NH3+])c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000035381567 172164499 /nfs/dbraw/zinc/16/44/99/172164499.db2.gz CYNHNTGDMGODHW-LBPRGKRZSA-N 1 1 282.683 2.898 10 5 CFBEMO Cc1ccc(CN[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000037321538 173122021 /nfs/dbraw/zinc/12/20/21/173122021.db2.gz VUVCIPSZVSXOHN-OAHLLOKOSA-N 1 1 293.411 2.969 10 5 CFBEMO CC[C@H](C)[N@H+](CC)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037336508 173137727 /nfs/dbraw/zinc/13/77/27/173137727.db2.gz KRUJJMOJRMGXOS-NSHDSACASA-N 1 1 264.325 2.898 10 5 CFBEMO CC[C@H](C)[N@@H+](CC)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037336508 173137729 /nfs/dbraw/zinc/13/77/29/173137729.db2.gz KRUJJMOJRMGXOS-NSHDSACASA-N 1 1 264.325 2.898 10 5 CFBEMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000037562552 173272883 /nfs/dbraw/zinc/27/28/83/173272883.db2.gz CVVKBIDXENUYLO-VIFPVBQESA-N 1 1 263.322 2.902 10 5 CFBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000043474134 175054359 /nfs/dbraw/zinc/05/43/59/175054359.db2.gz BCMVESMAPIFESI-BFVZDQMLSA-N 1 1 281.331 2.875 10 5 CFBEMO CC[NH2+][C@H](c1ccc(C)o1)c1ccc([N+](=O)[O-])o1 ZINC000043610756 175079477 /nfs/dbraw/zinc/07/94/77/175079477.db2.gz RFNBGNOSRIXZLU-GFCCVEGCSA-N 1 1 250.254 2.788 10 5 CFBEMO Cc1cc(NC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000044563169 175206817 /nfs/dbraw/zinc/20/68/17/175206817.db2.gz DUXOMPKNOURNIC-ZDUSSCGKSA-N 1 1 263.341 2.799 10 5 CFBEMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189064 176064548 /nfs/dbraw/zinc/06/45/48/176064548.db2.gz JEOLEMDNASJFJT-LBPRGKRZSA-N 1 1 297.786 2.632 10 5 CFBEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240151 270327748 /nfs/dbraw/zinc/32/77/48/270327748.db2.gz MGDIPSHUEWQEKP-JOYOIKCWSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000399240151 270327746 /nfs/dbraw/zinc/32/77/46/270327746.db2.gz MGDIPSHUEWQEKP-JOYOIKCWSA-N 1 1 284.743 2.593 10 5 CFBEMO CCC(C)(C)[N@@H+](C)Cc1ccc(NN)c([N+](=O)[O-])c1 ZINC000069447329 521303824 /nfs/dbraw/zinc/30/38/24/521303824.db2.gz LTGWBWJHFKHVEM-UHFFFAOYSA-N 1 1 266.345 2.501 10 5 CFBEMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)CC(C)C ZINC000050812578 521293582 /nfs/dbraw/zinc/29/35/82/521293582.db2.gz FMMYXVPUQCJNSX-UHFFFAOYSA-N 1 1 251.330 2.655 10 5 CFBEMO CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817009 522091644 /nfs/dbraw/zinc/09/16/44/522091644.db2.gz CIXJHIKIDULKEO-GFCCVEGCSA-N 1 1 295.383 2.883 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000050813798 522644610 /nfs/dbraw/zinc/64/46/10/522644610.db2.gz VPHTVTHCJQLRDR-JTQLQIEISA-N 1 1 263.341 2.867 10 5 CFBEMO Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061701033 525320623 /nfs/dbraw/zinc/32/06/23/525320623.db2.gz RPOSOAMZQVNUKA-LBPRGKRZSA-N 1 1 261.325 2.552 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cccnc1 ZINC000050443305 527334606 /nfs/dbraw/zinc/33/46/06/527334606.db2.gz JXRBLUNKMOHMBW-UHFFFAOYSA-N 1 1 277.711 2.933 10 5 CFBEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111690360 618162149 /nfs/dbraw/zinc/16/21/49/618162149.db2.gz HOMLPNINCYBCTP-CQSZACIVSA-N 1 1 276.336 2.704 10 5 CFBEMO CCOc1ccc(N[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000086818451 179347431 /nfs/dbraw/zinc/34/74/31/179347431.db2.gz UOXKLJGGVBGXMC-GFCCVEGCSA-N 1 1 293.367 2.890 10 5 CFBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152516200 378424128 /nfs/dbraw/zinc/42/41/28/378424128.db2.gz VAUQSMAJRPAWMR-OAHLLOKOSA-N 1 1 299.330 2.643 10 5 CFBEMO Cc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000172800842 379649990 /nfs/dbraw/zinc/64/99/90/379649990.db2.gz FHIIIBLDEXOHHG-OAHLLOKOSA-N 1 1 289.379 2.573 10 5 CFBEMO C[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000346948577 382581808 /nfs/dbraw/zinc/58/18/08/382581808.db2.gz QLRAJEDHJDYNCR-JTQLQIEISA-N 1 1 275.283 2.980 10 5 CFBEMO C[C@@H]([NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000020526218 171239434 /nfs/dbraw/zinc/23/94/34/171239434.db2.gz KRSSTULBURDMAW-LLVKDONJSA-N 1 1 257.293 2.841 10 5 CFBEMO COc1ccc([C@H]([NH3+])c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000035381168 172163844 /nfs/dbraw/zinc/16/38/44/172163844.db2.gz WKLFESWKZGWEPM-ZDUSSCGKSA-N 1 1 262.265 2.553 10 5 CFBEMO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338714 173139050 /nfs/dbraw/zinc/13/90/50/173139050.db2.gz XMAYGSNNLYSDIJ-JTQLQIEISA-N 1 1 262.309 2.508 10 5 CFBEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037338714 173139052 /nfs/dbraw/zinc/13/90/52/173139052.db2.gz XMAYGSNNLYSDIJ-JTQLQIEISA-N 1 1 262.309 2.508 10 5 CFBEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040503282 174300162 /nfs/dbraw/zinc/30/01/62/174300162.db2.gz XVSSCIKFGDHDCP-GFCCVEGCSA-N 1 1 263.341 2.799 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040503281 174300174 /nfs/dbraw/zinc/30/01/74/174300174.db2.gz XVSSCIKFGDHDCP-LBPRGKRZSA-N 1 1 263.341 2.799 10 5 CFBEMO Cn1cc[nH+]c1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000040639695 174363854 /nfs/dbraw/zinc/36/38/54/174363854.db2.gz IIDVIJYRRMDRED-UHFFFAOYSA-N 1 1 280.715 2.636 10 5 CFBEMO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535621 175198544 /nfs/dbraw/zinc/19/85/44/175198544.db2.gz RWVBWAMRSMDFPK-CHWSQXEVSA-N 1 1 277.368 2.587 10 5 CFBEMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000044535621 175198545 /nfs/dbraw/zinc/19/85/45/175198545.db2.gz RWVBWAMRSMDFPK-CHWSQXEVSA-N 1 1 277.368 2.587 10 5 CFBEMO C[C@@H](NC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000044562111 175206039 /nfs/dbraw/zinc/20/60/39/175206039.db2.gz PUMOSRNLICJBJO-CHWSQXEVSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H](NC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000044562111 175206040 /nfs/dbraw/zinc/20/60/40/175206040.db2.gz PUMOSRNLICJBJO-CHWSQXEVSA-N 1 1 277.368 2.730 10 5 CFBEMO O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000045085222 175303614 /nfs/dbraw/zinc/30/36/14/175303614.db2.gz FQQCCQOPALPOGV-CQSZACIVSA-N 1 1 291.351 2.760 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949594 270310370 /nfs/dbraw/zinc/31/03/70/270310370.db2.gz HBSKSKVBMZGHDU-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000394949594 270310372 /nfs/dbraw/zinc/31/03/72/270310372.db2.gz HBSKSKVBMZGHDU-TVQRCGJNSA-N 1 1 284.743 2.593 10 5 CFBEMO CCC[C@H](C)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813976 521037202 /nfs/dbraw/zinc/03/72/02/521037202.db2.gz FJDHIWIDDVPUFD-JTQLQIEISA-N 1 1 251.330 2.797 10 5 CFBEMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050817962 520274240 /nfs/dbraw/zinc/27/42/40/520274240.db2.gz OEFKXYCEBBOKEG-CYBMUJFWSA-N 1 1 293.367 2.568 10 5 CFBEMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050817963 520284999 /nfs/dbraw/zinc/28/49/99/520284999.db2.gz OEFKXYCEBBOKEG-ZDUSSCGKSA-N 1 1 293.367 2.568 10 5 CFBEMO CCNc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000050813311 520299480 /nfs/dbraw/zinc/29/94/80/520299480.db2.gz QMEURIJYQNXSDI-LBPRGKRZSA-N 1 1 295.408 2.964 10 5 CFBEMO CCNc1ccc(Cn2cc[nH+]c2CC)cc1[N+](=O)[O-] ZINC000050830083 520316678 /nfs/dbraw/zinc/31/66/78/520316678.db2.gz KFCMVBRHVQCFJX-UHFFFAOYSA-N 1 1 274.324 2.834 10 5 CFBEMO CCO[C@H]1CCC[N@@H+](Cc2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000050818048 520526862 /nfs/dbraw/zinc/52/68/62/520526862.db2.gz KCNUHSFGXNXGFT-ZDUSSCGKSA-N 1 1 293.367 2.637 10 5 CFBEMO CC[N@@H+](Cc1ccncc1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815594 521422115 /nfs/dbraw/zinc/42/21/15/521422115.db2.gz UWONRPUWMCLDAC-UHFFFAOYSA-N 1 1 286.335 2.594 10 5 CFBEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813212 521970592 /nfs/dbraw/zinc/97/05/92/521970592.db2.gz DMIMWUYEFHPSDU-SNVBAGLBSA-N 1 1 251.330 2.655 10 5 CFBEMO CNc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000050813793 522606274 /nfs/dbraw/zinc/60/62/74/522606274.db2.gz LSLGMNYINNVWLW-SNVBAGLBSA-N 1 1 263.341 2.867 10 5 CFBEMO CNc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000050815065 522607141 /nfs/dbraw/zinc/60/71/41/522607141.db2.gz PZCSFKQEZNDMCA-ZDUSSCGKSA-N 1 1 293.367 2.637 10 5 CFBEMO C[N@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050812427 523310570 /nfs/dbraw/zinc/31/05/70/523310570.db2.gz SLXJLCCYYUOFLP-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[N@@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050812427 523310579 /nfs/dbraw/zinc/31/05/79/523310579.db2.gz SLXJLCCYYUOFLP-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[C@H](CN1CCCC1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443724 524317176 /nfs/dbraw/zinc/31/71/76/524317176.db2.gz PXBMVKFORSUWKY-LLVKDONJSA-N 1 1 297.786 2.822 10 5 CFBEMO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150020 524319957 /nfs/dbraw/zinc/31/99/57/524319957.db2.gz UKBPARGUKZEKQA-CHWSQXEVSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150014 524595951 /nfs/dbraw/zinc/59/59/51/524595951.db2.gz UKBPARGUKZEKQA-STQMWFEESA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814430 525639506 /nfs/dbraw/zinc/63/95/06/525639506.db2.gz BBLVSMFEYRNQKN-WDEREUQCSA-N 1 1 263.341 2.797 10 5 CFBEMO Cc1c(CN[C@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000049555704 525728461 /nfs/dbraw/zinc/72/84/61/525728461.db2.gz JUFSUQYBFICFGB-OAHLLOKOSA-N 1 1 293.411 2.969 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000052762375 527349621 /nfs/dbraw/zinc/34/96/21/527349621.db2.gz RSGUZVJEKRHEGA-GFCCVEGCSA-N 1 1 298.770 2.985 10 5 CFBEMO CC[C@H]([NH2+]Cc1ccnc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000038037492 346336988 /nfs/dbraw/zinc/33/69/88/346336988.db2.gz FHHVJJWCBKNTNI-HNNXBMFYSA-N 1 1 286.335 2.934 10 5 CFBEMO O=[N+]([O-])[C@]12Cc3ccccc3[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000225904525 348180651 /nfs/dbraw/zinc/18/06/51/348180651.db2.gz YHOPNRSCFKLSMQ-ROUUACIJSA-N 1 1 294.354 2.858 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C)C1 ZINC000183328749 189354978 /nfs/dbraw/zinc/35/49/78/189354978.db2.gz SGOMBJOUPYCQGP-NSHDSACASA-N 1 1 266.366 2.841 10 5 CFBEMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162678686 378926606 /nfs/dbraw/zinc/92/66/06/378926606.db2.gz KOCDDKDFSXAIEY-UHFFFAOYSA-N 1 1 299.199 2.620 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000334280895 379026389 /nfs/dbraw/zinc/02/63/89/379026389.db2.gz RWZKHIMWSHKAAZ-MFKMUULPSA-N 1 1 250.273 2.718 10 5 CFBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000334280895 379026394 /nfs/dbraw/zinc/02/63/94/379026394.db2.gz RWZKHIMWSHKAAZ-MFKMUULPSA-N 1 1 250.273 2.718 10 5 CFBEMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246751645 383100342 /nfs/dbraw/zinc/10/03/42/383100342.db2.gz SENDFOFZFVGNMS-ZDUSSCGKSA-N 1 1 295.770 2.528 10 5 CFBEMO C[C@@H]([NH2+]Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000020526092 171238981 /nfs/dbraw/zinc/23/89/81/171238981.db2.gz ZCLHJFRTBYWDPM-LLVKDONJSA-N 1 1 257.293 2.841 10 5 CFBEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502586 174299166 /nfs/dbraw/zinc/29/91/66/174299166.db2.gz ZSWVFMJHDOXKLH-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040502586 174299168 /nfs/dbraw/zinc/29/91/68/174299168.db2.gz ZSWVFMJHDOXKLH-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@H](NC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000044562110 175205448 /nfs/dbraw/zinc/20/54/48/175205448.db2.gz PUMOSRNLICJBJO-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO C[C@H](NC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000044562110 175205450 /nfs/dbraw/zinc/20/54/50/175205450.db2.gz PUMOSRNLICJBJO-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO C[N@H+]1CCCC[C@@H]1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000044563311 175206588 /nfs/dbraw/zinc/20/65/88/175206588.db2.gz LVRUPJICEGAYLM-GFCCVEGCSA-N 1 1 267.304 2.630 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000044565915 175208404 /nfs/dbraw/zinc/20/84/04/175208404.db2.gz ONQJRSWPSJGOMV-VIFPVBQESA-N 1 1 284.747 2.539 10 5 CFBEMO CC(C)[C@H](C[NH+](C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443743 519814533 /nfs/dbraw/zinc/81/45/33/519814533.db2.gz IIJSZDKUDHVYGY-ZDUSSCGKSA-N 1 1 299.802 2.924 10 5 CFBEMO CCNc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1CC ZINC000050830086 520330932 /nfs/dbraw/zinc/33/09/32/520330932.db2.gz ICPPMQPJLPVDCU-UHFFFAOYSA-N 1 1 274.324 2.834 10 5 CFBEMO CCC[C@@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000050441208 520727626 /nfs/dbraw/zinc/72/76/26/520727626.db2.gz NWRISEACBWCWNV-LLVKDONJSA-N 1 1 276.296 2.753 10 5 CFBEMO CC[N@H+]1CCC[C@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000049231038 521649617 /nfs/dbraw/zinc/64/96/17/521649617.db2.gz YCZJOGGZKBFFJR-VIFPVBQESA-N 1 1 284.747 2.539 10 5 CFBEMO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1N)CC1CC1 ZINC000050815517 521682261 /nfs/dbraw/zinc/68/22/61/521682261.db2.gz GXJISJINKIYIKG-UHFFFAOYSA-N 1 1 263.341 2.799 10 5 CFBEMO CC[C@@H](C)[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813083 522085326 /nfs/dbraw/zinc/08/53/26/522085326.db2.gz ZRFUPCNJECTWSR-SNVBAGLBSA-N 1 1 251.330 2.797 10 5 CFBEMO CNc1ccc(C[N@H+](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000050813907 522605528 /nfs/dbraw/zinc/60/55/28/522605528.db2.gz DYGGUBPAAJZZAR-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CNc1ccc(C[N@@H+](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000050813907 522605580 /nfs/dbraw/zinc/60/55/80/522605580.db2.gz DYGGUBPAAJZZAR-UHFFFAOYSA-N 1 1 286.335 2.664 10 5 CFBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000050816082 522647580 /nfs/dbraw/zinc/64/75/80/522647580.db2.gz GWXMXJCJKKFTMB-CMPLNLGQSA-N 1 1 261.325 2.621 10 5 CFBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC000050792749 523183505 /nfs/dbraw/zinc/18/35/05/523183505.db2.gz XATHCIFHHUGSRR-UHFFFAOYSA-N 1 1 263.341 2.942 10 5 CFBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000050816749 523261878 /nfs/dbraw/zinc/26/18/78/523261878.db2.gz BKQUNSJQQGPGPE-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000050816749 523261888 /nfs/dbraw/zinc/26/18/88/523261888.db2.gz BKQUNSJQQGPGPE-UHFFFAOYSA-N 1 1 289.310 2.948 10 5 CFBEMO C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)[C@@H]1C ZINC000050814429 524232446 /nfs/dbraw/zinc/23/24/46/524232446.db2.gz BBLVSMFEYRNQKN-GHMZBOCLSA-N 1 1 263.341 2.797 10 5 CFBEMO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049150016 524319509 /nfs/dbraw/zinc/31/95/09/524319509.db2.gz UKBPARGUKZEKQA-OLZOCXBDSA-N 1 1 277.368 2.730 10 5 CFBEMO Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000061701032 525314783 /nfs/dbraw/zinc/31/47/83/525314783.db2.gz RPOSOAMZQVNUKA-GFCCVEGCSA-N 1 1 261.325 2.552 10 5 CFBEMO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000157892522 527191679 /nfs/dbraw/zinc/19/16/79/527191679.db2.gz AOCPQVHCLRQLKY-NSHDSACASA-N 1 1 297.786 2.809 10 5 CFBEMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccncc1 ZINC000050443307 527333948 /nfs/dbraw/zinc/33/39/48/527333948.db2.gz DNTRHEZDKFULNB-UHFFFAOYSA-N 1 1 277.711 2.933 10 5 CFBEMO Cc1cc(NC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122224477 187022018 /nfs/dbraw/zinc/02/20/18/187022018.db2.gz XCBXPTFHPOQBHU-LLVKDONJSA-N 1 1 286.335 2.615 10 5 CFBEMO CNc1ccc(C[N@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000050817856 522608607 /nfs/dbraw/zinc/60/86/07/522608607.db2.gz SZXIESUYKNBYJG-UHFFFAOYSA-N 1 1 281.381 2.575 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000301482134 201022711 /nfs/dbraw/zinc/02/27/11/201022711.db2.gz SXJSYMCSWXVTNP-CQSZACIVSA-N 1 1 263.341 2.515 10 5 CFBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152516096 378423865 /nfs/dbraw/zinc/42/38/65/378423865.db2.gz VAUQSMAJRPAWMR-HNNXBMFYSA-N 1 1 299.330 2.643 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000175056053 379987421 /nfs/dbraw/zinc/98/74/21/379987421.db2.gz NHPCKUGXXSKHAB-LSDHHAIUSA-N 1 1 289.379 2.653 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000175340400 380046614 /nfs/dbraw/zinc/04/66/14/380046614.db2.gz ZHDMRSBOUYAESV-HNNXBMFYSA-N 1 1 291.395 2.819 10 5 CFBEMO CC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259014 382612613 /nfs/dbraw/zinc/61/26/13/382612613.db2.gz CVCXDFNFUOGAIX-JSGCOSHPSA-N 1 1 277.368 2.648 10 5 CFBEMO CC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389259014 382612617 /nfs/dbraw/zinc/61/26/17/382612617.db2.gz CVCXDFNFUOGAIX-JSGCOSHPSA-N 1 1 277.368 2.648 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958233 393484055 /nfs/dbraw/zinc/48/40/55/393484055.db2.gz OEXJHZIRPMVRMO-UKRRQHHQSA-N 1 1 289.379 2.966 10 5 CFBEMO Cc1ccc2[nH+]c(-c3ccc([N+](=O)[O-])cc3)c(N)n2c1 ZINC000074542067 176582925 /nfs/dbraw/zinc/58/29/25/176582925.db2.gz IKAINYAVQZBGST-UHFFFAOYSA-N 1 1 268.276 2.800 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000175354843 276183262 /nfs/dbraw/zinc/18/32/62/276183262.db2.gz NZKHSIZVFSZBCQ-AWEZNQCLSA-N 1 1 277.368 2.511 10 5 CFBEMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814054 519791214 /nfs/dbraw/zinc/79/12/14/519791214.db2.gz OIAKRWMNLSXPHT-SNVBAGLBSA-N 1 1 251.330 2.653 10 5 CFBEMO CC(C)[C@@H](C[NH+](C)C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000049197421 519794019 /nfs/dbraw/zinc/79/40/19/519794019.db2.gz DUQNSNAPPRSLPY-GXTWGEPZSA-N 1 1 279.384 2.832 10 5 CFBEMO CCCNc1ccc(C[N@@H+](C)[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000050815221 520155659 /nfs/dbraw/zinc/15/56/59/520155659.db2.gz TYPNBVDKOZZYMZ-LBPRGKRZSA-N 1 1 295.383 2.883 10 5 CFBEMO CC[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050813215 523869764 /nfs/dbraw/zinc/86/97/64/523869764.db2.gz UJWSWRRPQSODBD-JTQLQIEISA-N 1 1 251.330 2.655 10 5 CFBEMO Cc1ccc(C[N@@H+](C)Cc2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000050813461 524393671 /nfs/dbraw/zinc/39/36/71/524393671.db2.gz LEXJDDFFTANPLO-UHFFFAOYSA-N 1 1 275.308 2.710 10 5 CFBEMO Cc1ccc(C[N@H+](C)Cc2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000050813461 524393682 /nfs/dbraw/zinc/39/36/82/524393682.db2.gz LEXJDDFFTANPLO-UHFFFAOYSA-N 1 1 275.308 2.710 10 5 CFBEMO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000049149959 525599024 /nfs/dbraw/zinc/59/90/24/525599024.db2.gz ATXPPFVVCPXKSW-QWHCGFSZSA-N 1 1 277.368 2.730 10 5 CFBEMO Nc1ccc(C[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000050792578 527482409 /nfs/dbraw/zinc/48/24/09/527482409.db2.gz XGAFYUIBXZTBNP-UHFFFAOYSA-N 1 1 289.360 2.797 10 5 CFBEMO Nc1ccc(C[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000050792578 527482411 /nfs/dbraw/zinc/48/24/11/527482411.db2.gz XGAFYUIBXZTBNP-UHFFFAOYSA-N 1 1 289.360 2.797 10 5 CFBEMO Cc1cc2nccc(NCCC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC000027547934 372343109 /nfs/dbraw/zinc/34/31/09/372343109.db2.gz DVFNALLNKWMVHG-UHFFFAOYSA-N 1 1 288.351 2.815 10 5 CFBEMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000151842595 378364044 /nfs/dbraw/zinc/36/40/44/378364044.db2.gz YPMAEBPHCIHALJ-XEZPLFJOSA-N 1 1 291.395 2.974 10 5 CFBEMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000151842595 378364050 /nfs/dbraw/zinc/36/40/50/378364050.db2.gz YPMAEBPHCIHALJ-XEZPLFJOSA-N 1 1 291.395 2.974 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000175047072 379984744 /nfs/dbraw/zinc/98/47/44/379984744.db2.gz JXWGKXJEROCLDK-GOEBONIOSA-N 1 1 289.379 2.653 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000175332190 380045059 /nfs/dbraw/zinc/04/50/59/380045059.db2.gz WWWZAHJOAHJYPS-LBPRGKRZSA-N 1 1 283.397 2.572 10 5 CFBEMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000183349413 393520570 /nfs/dbraw/zinc/52/05/70/393520570.db2.gz UTKHQMDKBTXVAC-BBRMVZONSA-N 1 1 289.379 2.572 10 5 CFBEMO C[C@H]([NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000020526219 171239598 /nfs/dbraw/zinc/23/95/98/171239598.db2.gz KRSSTULBURDMAW-NSHDSACASA-N 1 1 257.293 2.841 10 5 CFBEMO CC(C)C[C@H](C[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000037166545 173000930 /nfs/dbraw/zinc/00/09/30/173000930.db2.gz FCUUFJSETOINBL-CQSZACIVSA-N 1 1 279.384 2.661 10 5 CFBEMO CCC[C@H](C)[N@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037339224 173139915 /nfs/dbraw/zinc/13/99/15/173139915.db2.gz IMHNKZAJKLZUHB-NSHDSACASA-N 1 1 264.325 2.898 10 5 CFBEMO CCC[C@H](C)[N@@H+](C)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037339224 173139917 /nfs/dbraw/zinc/13/99/17/173139917.db2.gz IMHNKZAJKLZUHB-NSHDSACASA-N 1 1 264.325 2.898 10 5 CFBEMO Nc1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000038032544 174028337 /nfs/dbraw/zinc/02/83/37/174028337.db2.gz AAWGNZCJVZPWIY-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO Nc1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000038032544 174028338 /nfs/dbraw/zinc/02/83/38/174028338.db2.gz AAWGNZCJVZPWIY-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO C[N@H+]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000040673490 174371965 /nfs/dbraw/zinc/37/19/65/174371965.db2.gz 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ZINC000050814149 520328453 /nfs/dbraw/zinc/32/84/53/520328453.db2.gz YRWGUJRVIKKNJC-UHFFFAOYSA-N 1 1 293.367 2.637 10 5 CFBEMO CCC(CC)[N@@H+](CCO)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816959 521553506 /nfs/dbraw/zinc/55/35/06/521553506.db2.gz QBRHOSKMAQWCPH-UHFFFAOYSA-N 1 1 295.383 2.619 10 5 CFBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1csc([N+](=O)[O-])c1 ZINC000245440891 523321981 /nfs/dbraw/zinc/32/19/81/523321981.db2.gz UYJXTXGOSWRWFK-STQMWFEESA-N 1 1 295.408 2.715 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000245424144 523486833 /nfs/dbraw/zinc/48/68/33/523486833.db2.gz JXWGKXJEROCLDK-ZBFHGGJFSA-N 1 1 289.379 2.653 10 5 CFBEMO C[N@@H+]1CCCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443962 523799754 /nfs/dbraw/zinc/79/97/54/523799754.db2.gz FKXYEHUJJIYJNK-ZDUSSCGKSA-N 1 1 297.786 2.822 10 5 CFBEMO C[N@H+]1CCCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443962 523799759 /nfs/dbraw/zinc/79/97/59/523799759.db2.gz FKXYEHUJJIYJNK-ZDUSSCGKSA-N 1 1 297.786 2.822 10 5 CFBEMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171688116 524593150 /nfs/dbraw/zinc/59/31/50/524593150.db2.gz BOVNFEIUAONIJK-LBPRGKRZSA-N 1 1 296.392 2.801 10 5 CFBEMO C[C@H]([NH3+])C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157888667 524827194 /nfs/dbraw/zinc/82/71/94/524827194.db2.gz HCPJXVUOZXRFLU-JTQLQIEISA-N 1 1 297.786 2.807 10 5 CFBEMO Nc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000050792719 527481997 /nfs/dbraw/zinc/48/19/97/527481997.db2.gz LBPYCCAMGNUYOO-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO Nc1ccc(C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000050792719 527482001 /nfs/dbraw/zinc/48/20/01/527482001.db2.gz LBPYCCAMGNUYOO-UHFFFAOYSA-N 1 1 283.331 2.735 10 5 CFBEMO C[NH+](C)C1(CNCc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000097930480 232183382 /nfs/dbraw/zinc/18/33/82/232183382.db2.gz JRZQIUMFPFQPIE-UHFFFAOYSA-N 1 1 297.786 2.822 10 5 CFBEMO O=[N+]([O-])c1ccc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000088259792 347500808 /nfs/dbraw/zinc/50/08/08/347500808.db2.gz NXBCMJNQBALDET-CQSZACIVSA-N 1 1 283.331 2.979 10 5 CFBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000088346239 347501977 /nfs/dbraw/zinc/50/19/77/347501977.db2.gz BVUNFAAOQWGVQX-IAGOWNOFSA-N 1 1 282.343 2.931 10 5 CFBEMO CC[N@@H+](CCO)CCCCCc1ccccc1[N+](=O)[O-] ZINC000584603311 348686338 /nfs/dbraw/zinc/68/63/38/348686338.db2.gz URFCHVSNJCSYQA-UHFFFAOYSA-N 1 1 280.368 2.622 10 5 CFBEMO CC[N@H+]1CCC[C@H]1CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000092665174 375136961 /nfs/dbraw/zinc/13/69/61/375136961.db2.gz QXCOXOFDQKXBGL-NSHDSACASA-N 1 1 281.331 2.654 10 5 CFBEMO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000093437406 375237000 /nfs/dbraw/zinc/23/70/00/375237000.db2.gz SPXSVIUIJZXWMI-ZFWWWQNUSA-N 1 1 289.379 2.572 10 5 CFBEMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152507506 378422409 /nfs/dbraw/zinc/42/24/09/378422409.db2.gz NSLDZJZLIJBGII-MRXNPFEDSA-N 1 1 299.330 2.643 10 5 CFBEMO Cc1c(C[N@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000171690663 379373045 /nfs/dbraw/zinc/37/30/45/379373045.db2.gz NMUGLZIOIWFILD-JTQLQIEISA-N 1 1 266.366 2.841 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000175331881 380045405 /nfs/dbraw/zinc/04/54/05/380045405.db2.gz DLLZPJXNDLZNFB-OAHLLOKOSA-N 1 1 277.368 2.511 10 5 CFBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000245444652 393805741 /nfs/dbraw/zinc/80/57/41/393805741.db2.gz YGAPWJKXRAOSPT-ZBFHGGJFSA-N 1 1 289.379 2.653 10 5 CFBEMO CC[N@H+]1CCC[C@@H]1CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331830 173133786 /nfs/dbraw/zinc/13/37/86/173133786.db2.gz YJQZOXXICOQDQI-SECBINFHSA-N 1 1 284.747 2.539 10 5 CFBEMO Cc1cc(NC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000044563170 175206920 /nfs/dbraw/zinc/20/69/20/175206920.db2.gz DUXOMPKNOURNIC-CYBMUJFWSA-N 1 1 263.341 2.799 10 5 CFBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000024659782 275036661 /nfs/dbraw/zinc/03/66/61/275036661.db2.gz FTPAXXMEUCNTSX-LLVKDONJSA-N 1 1 281.743 2.533 10 5 CFBEMO