smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000412052096 303958290 /nfs/dbraw/zinc/95/82/90/303958290.db2.gz DSDHDPBDQCGDMR-NSHDSACASA-N 1 2 349.391 1.315 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000052129312 214118004 /nfs/dbraw/zinc/11/80/04/214118004.db2.gz POIBLLNXXOZFCZ-UHFFFAOYSA-N 1 2 343.387 1.719 20 5 EDBDLO C[C@H](O)C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181869478 234360619 /nfs/dbraw/zinc/36/06/19/234360619.db2.gz BMCDCONWOXTWKK-LBPRGKRZSA-N 1 2 342.417 1.461 20 5 EDBDLO CCc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000062367492 138166602 /nfs/dbraw/zinc/16/66/02/138166602.db2.gz LIFSHGHCECAMFB-UHFFFAOYSA-N 1 2 331.376 1.858 20 5 EDBDLO Nc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000110959741 138307486 /nfs/dbraw/zinc/30/74/86/138307486.db2.gz SFIBZNDCXMXQMI-CQSZACIVSA-N 1 2 348.403 1.504 20 5 EDBDLO Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000127607123 138616643 /nfs/dbraw/zinc/61/66/43/138616643.db2.gz BDIWVJPKEMYMIL-UHFFFAOYSA-N 1 2 328.328 1.975 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCNC(=O)CC1 ZINC000054258771 201132324 /nfs/dbraw/zinc/13/23/24/201132324.db2.gz NCWAKFOHLRTTAY-SNVBAGLBSA-N 1 2 331.332 1.528 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCNC(=O)CC1 ZINC000054258771 201132328 /nfs/dbraw/zinc/13/23/28/201132328.db2.gz NCWAKFOHLRTTAY-SNVBAGLBSA-N 1 2 331.332 1.528 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000106031908 204183645 /nfs/dbraw/zinc/18/36/45/204183645.db2.gz XRJLSNDQIPYISE-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000109621243 204288172 /nfs/dbraw/zinc/28/81/72/204288172.db2.gz LNLMTDGFJHPDHF-UHFFFAOYSA-N 1 2 332.364 1.944 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000109621243 204288177 /nfs/dbraw/zinc/28/81/77/204288177.db2.gz LNLMTDGFJHPDHF-UHFFFAOYSA-N 1 2 332.364 1.944 20 5 EDBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111352686 220143350 /nfs/dbraw/zinc/14/33/50/220143350.db2.gz XNRYYFBQGLUXHP-SNVBAGLBSA-N 1 2 333.435 1.809 20 5 EDBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111352686 220143351 /nfs/dbraw/zinc/14/33/51/220143351.db2.gz XNRYYFBQGLUXHP-SNVBAGLBSA-N 1 2 333.435 1.809 20 5 EDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160610675 206306689 /nfs/dbraw/zinc/30/66/89/206306689.db2.gz PBSHVBRUGITBIL-UHFFFAOYSA-N 1 2 338.389 1.333 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248446123 139164424 /nfs/dbraw/zinc/16/44/24/139164424.db2.gz CIZMTPGXOYBXHS-RKFFSXRUSA-N 1 2 327.406 1.541 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248446123 139164425 /nfs/dbraw/zinc/16/44/25/139164425.db2.gz CIZMTPGXOYBXHS-RKFFSXRUSA-N 1 2 327.406 1.541 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354912592 250103258 /nfs/dbraw/zinc/10/32/58/250103258.db2.gz ORDQAOPZXFKBNI-GFCCVEGCSA-N 1 2 335.360 1.210 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354912592 250103263 /nfs/dbraw/zinc/10/32/63/250103263.db2.gz ORDQAOPZXFKBNI-GFCCVEGCSA-N 1 2 335.360 1.210 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255327541 139207885 /nfs/dbraw/zinc/20/78/85/139207885.db2.gz SCADKVOORABZCJ-RYWCDNDXSA-N 1 2 325.390 1.232 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255327541 139207886 /nfs/dbraw/zinc/20/78/86/139207886.db2.gz SCADKVOORABZCJ-RYWCDNDXSA-N 1 2 325.390 1.232 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000353146451 183837654 /nfs/dbraw/zinc/83/76/54/183837654.db2.gz XVSAAKACADTPEC-BXUZGUMPSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1cc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000353146451 183837655 /nfs/dbraw/zinc/83/76/55/183837655.db2.gz XVSAAKACADTPEC-BXUZGUMPSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1ccc(OC)c2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]2O ZINC000174817494 207061839 /nfs/dbraw/zinc/06/18/39/207061839.db2.gz VJBDGQAHIVFLEA-CYBMUJFWSA-N 1 2 348.359 1.358 20 5 EDBDLO COc1ccc(OC)c2c1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]2O ZINC000174817494 207061841 /nfs/dbraw/zinc/06/18/41/207061841.db2.gz VJBDGQAHIVFLEA-CYBMUJFWSA-N 1 2 348.359 1.358 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491449258 255125942 /nfs/dbraw/zinc/12/59/42/255125942.db2.gz OBMUFGMXKTZGSD-HWKANZROSA-N 1 2 337.351 1.538 20 5 EDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000493481538 255211442 /nfs/dbraw/zinc/21/14/42/255211442.db2.gz MBMOCWJMAWRVCG-RJRFIUFISA-N 1 2 328.332 1.075 20 5 EDBDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000495330219 255281165 /nfs/dbraw/zinc/28/11/65/255281165.db2.gz DSQICPIXNFLCAP-UHFFFAOYSA-N 1 2 339.392 1.914 20 5 EDBDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000495330219 255281166 /nfs/dbraw/zinc/28/11/66/255281166.db2.gz DSQICPIXNFLCAP-UHFFFAOYSA-N 1 2 339.392 1.914 20 5 EDBDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742320 255260511 /nfs/dbraw/zinc/26/05/11/255260511.db2.gz MGMWTBALYZVCEE-NWDGAFQWSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742320 255260512 /nfs/dbraw/zinc/26/05/12/255260512.db2.gz MGMWTBALYZVCEE-NWDGAFQWSA-N 1 2 339.396 1.984 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000264212304 139387371 /nfs/dbraw/zinc/38/73/71/139387371.db2.gz FZFMBTAVEBYLAR-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO Cc1cc(C(=O)NCc2cn3c([nH+]2)CCCC3)c(N)c([N+](=O)[O-])c1 ZINC000264261991 139391279 /nfs/dbraw/zinc/39/12/79/139391279.db2.gz UEMSYDPWXGANGI-UHFFFAOYSA-N 1 2 329.360 1.948 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000347374891 533382483 /nfs/dbraw/zinc/38/24/83/533382483.db2.gz XZXOEYRHWMBFOQ-RAXLEYEMSA-N 1 2 339.417 1.575 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000187572615 533541337 /nfs/dbraw/zinc/54/13/37/533541337.db2.gz LSRGELYRCGIEAB-IAQYHMDHSA-N 1 2 346.339 1.963 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000187572615 533541341 /nfs/dbraw/zinc/54/13/41/533541341.db2.gz LSRGELYRCGIEAB-IAQYHMDHSA-N 1 2 346.339 1.963 20 5 EDBDLO CN1C(=O)N[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1=O ZINC000265474664 139479969 /nfs/dbraw/zinc/47/99/69/139479969.db2.gz QNKVFJHYXBQJNB-AWEZNQCLSA-N 1 2 338.751 1.374 20 5 EDBDLO CN1C(=O)N[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1=O ZINC000265474664 139479970 /nfs/dbraw/zinc/47/99/70/139479970.db2.gz QNKVFJHYXBQJNB-AWEZNQCLSA-N 1 2 338.751 1.374 20 5 EDBDLO NC(=O)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271403275 140291087 /nfs/dbraw/zinc/29/10/87/140291087.db2.gz WDKRBMIEFCISTA-VIFPVBQESA-N 1 2 330.291 1.439 20 5 EDBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271403275 140291089 /nfs/dbraw/zinc/29/10/89/140291089.db2.gz WDKRBMIEFCISTA-VIFPVBQESA-N 1 2 330.291 1.439 20 5 EDBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000332093056 141121637 /nfs/dbraw/zinc/12/16/37/141121637.db2.gz CHRQLAZXYIUBPV-LLVKDONJSA-N 1 2 346.391 1.417 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000332141856 141130256 /nfs/dbraw/zinc/13/02/56/141130256.db2.gz MLRPAQVXSZVJLL-JSGCOSHPSA-N 1 2 336.392 1.116 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000336876733 141471977 /nfs/dbraw/zinc/47/19/77/141471977.db2.gz JFKWSGXEXQAPSC-UHFFFAOYSA-N 1 2 326.316 1.776 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOCC2CC2)CC1 ZINC000339739116 142140051 /nfs/dbraw/zinc/14/00/51/142140051.db2.gz JNOIGLUWPLBELL-UHFFFAOYSA-N 1 2 333.388 1.779 20 5 EDBDLO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[N@@H+]1C ZINC000345034494 143041799 /nfs/dbraw/zinc/04/17/99/143041799.db2.gz OPSWVLHIOFXJNY-ZYHUDNBSSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[N@H+]1C ZINC000345034494 143041800 /nfs/dbraw/zinc/04/18/00/143041800.db2.gz OPSWVLHIOFXJNY-ZYHUDNBSSA-N 1 2 327.406 1.893 20 5 EDBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347154547 143288583 /nfs/dbraw/zinc/28/85/83/143288583.db2.gz MIOCKFQAEFSFCC-UHFFFAOYSA-N 1 2 346.269 1.359 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347508816 143330219 /nfs/dbraw/zinc/33/02/19/143330219.db2.gz AZXLNGQLTOWGDD-SNVBAGLBSA-N 1 2 347.331 1.174 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000347619619 143341850 /nfs/dbraw/zinc/34/18/50/143341850.db2.gz ZGLSSECUVVRXOW-AWEZNQCLSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000347619619 143341851 /nfs/dbraw/zinc/34/18/51/143341851.db2.gz ZGLSSECUVVRXOW-AWEZNQCLSA-N 1 2 325.340 1.575 20 5 EDBDLO C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347938335 143381470 /nfs/dbraw/zinc/38/14/70/143381470.db2.gz JZHNSUTUPSTEBO-VXGBXAGGSA-N 1 2 339.367 1.674 20 5 EDBDLO C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347938335 143381471 /nfs/dbraw/zinc/38/14/71/143381471.db2.gz JZHNSUTUPSTEBO-VXGBXAGGSA-N 1 2 339.367 1.674 20 5 EDBDLO Cc1sc(S(=O)(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000416535999 304330175 /nfs/dbraw/zinc/33/01/75/304330175.db2.gz OGNGDIZSJQTNJK-UHFFFAOYSA-N 1 2 330.391 1.219 20 5 EDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352668570 149109222 /nfs/dbraw/zinc/10/92/22/149109222.db2.gz STTQGBKFDDKRFR-KGLIPLIRSA-N 1 2 328.390 1.214 20 5 EDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352668570 149109223 /nfs/dbraw/zinc/10/92/23/149109223.db2.gz STTQGBKFDDKRFR-KGLIPLIRSA-N 1 2 328.390 1.214 20 5 EDBDLO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352774014 149160237 /nfs/dbraw/zinc/16/02/37/149160237.db2.gz UPNMFZAUOBDEAY-AWEZNQCLSA-N 1 2 340.343 1.913 20 5 EDBDLO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000355387163 150246965 /nfs/dbraw/zinc/24/69/65/150246965.db2.gz SMBMJVROGNPGCH-GJZGRUSLSA-N 1 2 335.360 1.236 20 5 EDBDLO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000355387163 150246971 /nfs/dbraw/zinc/24/69/71/150246971.db2.gz SMBMJVROGNPGCH-GJZGRUSLSA-N 1 2 335.360 1.236 20 5 EDBDLO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000363693872 153031648 /nfs/dbraw/zinc/03/16/48/153031648.db2.gz KYVWFLCRCLLTFV-WFASDCNBSA-N 1 2 349.387 1.531 20 5 EDBDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000363977670 153112665 /nfs/dbraw/zinc/11/26/65/153112665.db2.gz USUQSIKVIZENNN-UHFFFAOYSA-N 1 2 336.373 1.216 20 5 EDBDLO COc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)cc1[N+](=O)[O-] ZINC000364111770 153147552 /nfs/dbraw/zinc/14/75/52/153147552.db2.gz PXMGWCGWZJGJDP-GFCCVEGCSA-N 1 2 330.344 1.853 20 5 EDBDLO CCn1cnnc1[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000364672771 153300643 /nfs/dbraw/zinc/30/06/43/153300643.db2.gz LHBPDEVVFJQHID-CABCVRRESA-N 1 2 347.375 1.313 20 5 EDBDLO CCn1cnnc1[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000364672771 153300644 /nfs/dbraw/zinc/30/06/44/153300644.db2.gz LHBPDEVVFJQHID-CABCVRRESA-N 1 2 347.375 1.313 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000364687730 153304096 /nfs/dbraw/zinc/30/40/96/153304096.db2.gz WAWZWFJRCTXOHL-UHFFFAOYSA-N 1 2 334.307 1.660 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369499331 155060805 /nfs/dbraw/zinc/06/08/05/155060805.db2.gz GKUZWFGRZBXBND-GFCCVEGCSA-N 1 2 332.364 1.017 20 5 EDBDLO Cc1nc(N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000371937194 156174569 /nfs/dbraw/zinc/17/45/69/156174569.db2.gz MQYYARPWZRQAIG-HIFRSBDPSA-N 1 2 349.435 1.139 20 5 EDBDLO Cc1nc(N2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000371937194 156174572 /nfs/dbraw/zinc/17/45/72/156174572.db2.gz MQYYARPWZRQAIG-HIFRSBDPSA-N 1 2 349.435 1.139 20 5 EDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000374376978 157266113 /nfs/dbraw/zinc/26/61/13/157266113.db2.gz HQVKPEBCLLKWFS-HNNXBMFYSA-N 1 2 342.355 1.785 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000352303288 162106408 /nfs/dbraw/zinc/10/64/08/162106408.db2.gz QZXMWSNEDBFRFD-LLVKDONJSA-N 1 2 342.402 1.819 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000353396319 162261356 /nfs/dbraw/zinc/26/13/56/162261356.db2.gz SQUQFMZBEOXCFR-OAHLLOKOSA-N 1 2 326.360 1.904 20 5 EDBDLO COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000364458438 162329643 /nfs/dbraw/zinc/32/96/43/162329643.db2.gz YNNMZIRJYLSATM-MJBXVCDLSA-N 1 2 330.344 1.300 20 5 EDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)c1C ZINC000058958891 287235155 /nfs/dbraw/zinc/23/51/55/287235155.db2.gz GIFRDWOEQSGLQS-UHFFFAOYSA-N 1 2 347.375 1.779 20 5 EDBDLO CCOc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000081015957 287310144 /nfs/dbraw/zinc/31/01/44/287310144.db2.gz PIAAGYIEYSRMES-CQSZACIVSA-N 1 2 339.392 1.123 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273507724 268054465 /nfs/dbraw/zinc/05/44/65/268054465.db2.gz WLAMLHQEZJGKBF-UHFFFAOYSA-N 1 2 340.355 1.966 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273507724 268054467 /nfs/dbraw/zinc/05/44/67/268054467.db2.gz WLAMLHQEZJGKBF-UHFFFAOYSA-N 1 2 340.355 1.966 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cscn2)cc1 ZINC000273529737 268059504 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C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000283946547 274021733 /nfs/dbraw/zinc/02/17/33/274021733.db2.gz FVFQSGRKMBJRIA-YOSLTCIPSA-N 1 2 331.372 1.540 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000284127234 274089468 /nfs/dbraw/zinc/08/94/68/274089468.db2.gz OYTMARNMRZCSMG-KGLIPLIRSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000284127234 274089469 /nfs/dbraw/zinc/08/94/69/274089469.db2.gz OYTMARNMRZCSMG-KGLIPLIRSA-N 1 2 339.779 1.793 20 5 EDBDLO NC(=O)C1(O)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000284227509 274124443 /nfs/dbraw/zinc/12/44/43/274124443.db2.gz KARAFRZKYQTFEY-UHFFFAOYSA-N 1 2 346.343 1.062 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284367732 274177215 /nfs/dbraw/zinc/17/72/15/274177215.db2.gz FDRYPXGZJNDQFK-KBPBESRZSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000297941145 303472030 /nfs/dbraw/zinc/47/20/30/303472030.db2.gz RYRAPSCECRDBPM-UHFFFAOYSA-N 1 2 345.359 1.553 20 5 EDBDLO Cc1ccc(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)c[nH+]1 ZINC000301600048 303686067 /nfs/dbraw/zinc/68/60/67/303686067.db2.gz YUTYARKFNRRDIP-UHFFFAOYSA-N 1 2 336.373 1.600 20 5 EDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374750302 304798009 /nfs/dbraw/zinc/79/80/09/304798009.db2.gz FCZSFVIOWFZHNL-SNVBAGLBSA-N 1 2 340.336 1.983 20 5 EDBDLO CCN1CC[NH+]([C@@H](C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000427985518 305003143 /nfs/dbraw/zinc/00/31/43/305003143.db2.gz UTHDGGVKCOCPKJ-LBPRGKRZSA-N 1 2 332.408 1.331 20 5 EDBDLO CC[C@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000428717972 305015605 /nfs/dbraw/zinc/01/56/05/305015605.db2.gz LVXVHZVJIGPYCS-INIZCTEOSA-N 1 2 330.344 1.768 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000429303172 305028312 /nfs/dbraw/zinc/02/83/12/305028312.db2.gz BACKEHXTYASYCM-UHFFFAOYSA-N 1 2 346.347 1.108 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2n[nH]nc2C1 ZINC000429303172 305028313 /nfs/dbraw/zinc/02/83/13/305028313.db2.gz BACKEHXTYASYCM-UHFFFAOYSA-N 1 2 346.347 1.108 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000430216649 305047717 /nfs/dbraw/zinc/04/77/17/305047717.db2.gz FPCKLRNTHGGMGT-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000433438018 305109234 /nfs/dbraw/zinc/10/92/34/305109234.db2.gz WGWFUYNUSAXAFO-GFCCVEGCSA-N 1 2 345.359 1.677 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000447657579 305283645 /nfs/dbraw/zinc/28/36/45/305283645.db2.gz UCRZDDLLERVNRQ-GFCCVEGCSA-N 1 2 346.387 1.869 20 5 EDBDLO COc1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000449653406 305316011 /nfs/dbraw/zinc/31/60/11/305316011.db2.gz SGTSXPZEUZMJIQ-SNVBAGLBSA-N 1 2 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ZINC000283660461 443684945 /nfs/dbraw/zinc/68/49/45/443684945.db2.gz BVRQSBLNYYMCIH-SNVBAGLBSA-N 1 2 347.331 1.089 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000280287140 443691468 /nfs/dbraw/zinc/69/14/68/443691468.db2.gz WWGGLWQZHSWGLS-QGZVFWFLSA-N 1 2 347.415 1.897 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1COCC[N@H+]1C1CCCC1 ZINC000280287140 443691470 /nfs/dbraw/zinc/69/14/70/443691470.db2.gz WWGGLWQZHSWGLS-QGZVFWFLSA-N 1 2 347.415 1.897 20 5 EDBDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298176694 443713105 /nfs/dbraw/zinc/71/31/05/443713105.db2.gz UYNDUEKYTYAUDY-UHFFFAOYSA-N 1 2 349.435 1.760 20 5 EDBDLO Cc1cccc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000276726019 443804327 /nfs/dbraw/zinc/80/43/27/443804327.db2.gz QNNHDEUIJDZETI-CQSZACIVSA-N 1 2 343.387 1.766 20 5 EDBDLO CCNC(=O)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000293197732 443949072 /nfs/dbraw/zinc/94/90/72/443949072.db2.gz IJQPSQOGWZBIKC-AWEZNQCLSA-N 1 2 347.375 1.895 20 5 EDBDLO Cn1c[nH+]cc1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293029502 443907415 /nfs/dbraw/zinc/90/74/15/443907415.db2.gz GDUYXNPLRICUJO-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285380860 443962647 /nfs/dbraw/zinc/96/26/47/443962647.db2.gz BKXXVAHLYYLJAG-ZEGGKSINSA-N 1 2 343.767 1.267 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285380860 443962650 /nfs/dbraw/zinc/96/26/50/443962650.db2.gz BKXXVAHLYYLJAG-ZEGGKSINSA-N 1 2 343.767 1.267 20 5 EDBDLO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1(C)C ZINC000281641992 443967137 /nfs/dbraw/zinc/96/71/37/443967137.db2.gz ASPPFZNHGLMDKC-UHFFFAOYSA-N 1 2 336.392 1.056 20 5 EDBDLO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1(C)C ZINC000281641992 443967141 /nfs/dbraw/zinc/96/71/41/443967141.db2.gz ASPPFZNHGLMDKC-UHFFFAOYSA-N 1 2 336.392 1.056 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293217406 443953909 /nfs/dbraw/zinc/95/39/09/443953909.db2.gz YNEKZEKDYOXQRH-SNVBAGLBSA-N 1 2 347.293 1.674 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293217406 443953912 /nfs/dbraw/zinc/95/39/12/443953912.db2.gz YNEKZEKDYOXQRH-SNVBAGLBSA-N 1 2 347.293 1.674 20 5 EDBDLO Cc1noc([C@@]2(O)CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285371402 443959728 /nfs/dbraw/zinc/95/97/28/443959728.db2.gz RFQISSZRZMFLMD-CQSZACIVSA-N 1 2 340.286 1.658 20 5 EDBDLO Cc1noc([C@@]2(O)CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285371402 443959733 /nfs/dbraw/zinc/95/97/33/443959733.db2.gz RFQISSZRZMFLMD-CQSZACIVSA-N 1 2 340.286 1.658 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+]2CC(=O)N(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000282293146 444139696 /nfs/dbraw/zinc/13/96/96/444139696.db2.gz SHHJKVZSCZQVSL-LLVKDONJSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+]2CC(=O)N(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000282293146 444139698 /nfs/dbraw/zinc/13/96/98/444139698.db2.gz SHHJKVZSCZQVSL-LLVKDONJSA-N 1 2 334.376 1.394 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000290145066 444248400 /nfs/dbraw/zinc/24/84/00/444248400.db2.gz VEFBXKMUNSAQNN-UHFFFAOYSA-N 1 2 331.332 1.146 20 5 EDBDLO C[C@@H]1[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343992329 444713821 /nfs/dbraw/zinc/71/38/21/444713821.db2.gz UUYCIXKRSYGKRM-MWLCHTKSSA-N 1 2 331.369 1.495 20 5 EDBDLO C[C@@H]1[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343992329 444713826 /nfs/dbraw/zinc/71/38/26/444713826.db2.gz UUYCIXKRSYGKRM-MWLCHTKSSA-N 1 2 331.369 1.495 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000342496686 444716358 /nfs/dbraw/zinc/71/63/58/444716358.db2.gz WFNHPTNXRMQWDN-IUCAKERBSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000342496686 444716363 /nfs/dbraw/zinc/71/63/63/444716363.db2.gz 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CO[C@@H]1C[C@@H](c2nncn2C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344580935 445072208 /nfs/dbraw/zinc/07/22/08/445072208.db2.gz YNPXZWGQEHRHOF-CABCVRRESA-N 1 2 347.375 1.564 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344580935 445072209 /nfs/dbraw/zinc/07/22/09/445072209.db2.gz YNPXZWGQEHRHOF-CABCVRRESA-N 1 2 347.375 1.564 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000341986175 445108769 /nfs/dbraw/zinc/10/87/69/445108769.db2.gz YHSGGKYCQFFNRG-OAHLLOKOSA-N 1 2 340.401 1.623 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]23CCOC3)cc1 ZINC000341986175 445108772 /nfs/dbraw/zinc/10/87/72/445108772.db2.gz YHSGGKYCQFFNRG-OAHLLOKOSA-N 1 2 340.401 1.623 20 5 EDBDLO O=C(NC1CC1)c1ccc(N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000346975804 445228869 /nfs/dbraw/zinc/22/88/69/445228869.db2.gz JSYRRKOZBUNLNM-UHFFFAOYSA-N 1 2 327.344 1.704 20 5 EDBDLO COc1ccc(CN2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000352017338 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ZINC000489158021 447851985 /nfs/dbraw/zinc/85/19/85/447851985.db2.gz GKBNOZMRCNDRQB-AWEZNQCLSA-N 1 2 336.323 1.186 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489158021 447851987 /nfs/dbraw/zinc/85/19/87/447851987.db2.gz GKBNOZMRCNDRQB-AWEZNQCLSA-N 1 2 336.323 1.186 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000523052283 447869022 /nfs/dbraw/zinc/86/90/22/447869022.db2.gz ORNSGTZFBJYOQO-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000523052283 447869026 /nfs/dbraw/zinc/86/90/26/447869026.db2.gz ORNSGTZFBJYOQO-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000532057805 448190735 /nfs/dbraw/zinc/19/07/35/448190735.db2.gz TVKBWZKQLURQOK-UHFFFAOYSA-N 1 2 329.312 1.998 20 5 EDBDLO CN(CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000591138835 448270701 /nfs/dbraw/zinc/27/07/01/448270701.db2.gz AVGBLWHZMKLRKI-UHFFFAOYSA-N 1 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ZINC000599958605 449127354 /nfs/dbraw/zinc/12/73/54/449127354.db2.gz SDUAQINZSWHSKH-UHFFFAOYSA-N 1 2 344.331 1.024 20 5 EDBDLO Cc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCOCC2)o1 ZINC000590571850 449196376 /nfs/dbraw/zinc/19/63/76/449196376.db2.gz JMIJHPGKHBKPTR-CYBMUJFWSA-N 1 2 347.375 1.959 20 5 EDBDLO COc1ccc(NC(=O)CC[N@H+](C)Cc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000611191124 449209603 /nfs/dbraw/zinc/20/96/03/449209603.db2.gz OWECVJABZODNMY-UHFFFAOYSA-N 1 2 333.348 1.787 20 5 EDBDLO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000611191124 449209613 /nfs/dbraw/zinc/20/96/13/449209613.db2.gz OWECVJABZODNMY-UHFFFAOYSA-N 1 2 333.348 1.787 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597997088 449182935 /nfs/dbraw/zinc/18/29/35/449182935.db2.gz LBDPYAHERLLBTL-MNOVXSKESA-N 1 2 347.375 1.310 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597997088 449182939 /nfs/dbraw/zinc/18/29/39/449182939.db2.gz LBDPYAHERLLBTL-MNOVXSKESA-N 1 2 347.375 1.310 20 5 EDBDLO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000593918163 449286127 /nfs/dbraw/zinc/28/61/27/449286127.db2.gz BBMUMLHEINQFMR-INWMFGNUSA-N 1 2 349.387 1.801 20 5 EDBDLO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000600412252 449362846 /nfs/dbraw/zinc/36/28/46/449362846.db2.gz ZTNYOICRYMWHRZ-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596210099 449416462 /nfs/dbraw/zinc/41/64/62/449416462.db2.gz FWTQZSHWRGTXMU-OLZOCXBDSA-N 1 2 336.392 1.503 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596210099 449416467 /nfs/dbraw/zinc/41/64/67/449416467.db2.gz FWTQZSHWRGTXMU-OLZOCXBDSA-N 1 2 336.392 1.503 20 5 EDBDLO O=[N+]([O-])c1c(NCCCCn2cc[nH+]c2)ncnc1N1CCOCC1 ZINC000598611571 449493395 /nfs/dbraw/zinc/49/33/95/449493395.db2.gz TWKUTDMTQBOYAW-UHFFFAOYSA-N 1 2 347.379 1.310 20 5 EDBDLO Cc1cn2c([nH+]1)CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611983806 449504905 /nfs/dbraw/zinc/50/49/05/449504905.db2.gz MEMOZBRKVIVIQX-UHFFFAOYSA-N 1 2 330.344 1.887 20 5 EDBDLO C[C@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000598633390 449509479 /nfs/dbraw/zinc/50/94/79/449509479.db2.gz LMIBTUXFRUMARV-WDEREUQCSA-N 1 2 345.363 1.536 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1F ZINC000598945652 449664615 /nfs/dbraw/zinc/66/46/15/449664615.db2.gz AJKCWRIMLLHMBH-SECBINFHSA-N 1 2 334.307 1.684 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000601039997 449670129 /nfs/dbraw/zinc/67/01/29/449670129.db2.gz SSZYZBUHDKIQIB-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO Cc1c(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cccc1[N+](=O)[O-] ZINC000601119339 449700829 /nfs/dbraw/zinc/70/08/29/449700829.db2.gz XRGWAMBKDXXGDV-CYBMUJFWSA-N 1 2 331.376 1.821 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1F ZINC000599129615 449752303 /nfs/dbraw/zinc/75/23/03/449752303.db2.gz BHJYCDFQWAWXTN-MRXNPFEDSA-N 1 2 339.367 1.762 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1F ZINC000599129615 449752311 /nfs/dbraw/zinc/75/23/11/449752311.db2.gz BHJYCDFQWAWXTN-MRXNPFEDSA-N 1 2 339.367 1.762 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000599161940 449771121 /nfs/dbraw/zinc/77/11/21/449771121.db2.gz YMVIWIBQQXQXAM-AWEZNQCLSA-N 1 2 346.362 2.538 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000599161940 449771124 /nfs/dbraw/zinc/77/11/24/449771124.db2.gz YMVIWIBQQXQXAM-AWEZNQCLSA-N 1 2 346.362 2.538 20 5 EDBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000594994540 449835396 /nfs/dbraw/zinc/83/53/96/449835396.db2.gz HRGPCGJQBATPKB-LLVKDONJSA-N 1 2 348.359 1.731 20 5 EDBDLO O=C1[C@@H](N2CCn3cc[nH+]c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609449443 450029001 /nfs/dbraw/zinc/02/90/01/450029001.db2.gz TWCNMVOWERUHCB-AWEZNQCLSA-N 1 2 327.344 1.412 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597547964 450099517 /nfs/dbraw/zinc/09/95/17/450099517.db2.gz IUKLORVUZYIPIP-HUUCEWRRSA-N 1 2 342.355 1.722 20 5 EDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597570913 450116143 /nfs/dbraw/zinc/11/61/43/450116143.db2.gz NPHOPBKPNNSPTP-VIFPVBQESA-N 1 2 340.343 1.616 20 5 EDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597570913 450116148 /nfs/dbraw/zinc/11/61/48/450116148.db2.gz NPHOPBKPNNSPTP-VIFPVBQESA-N 1 2 340.343 1.616 20 5 EDBDLO COc1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)cc1[N+](=O)[O-] ZINC000603206951 450141515 /nfs/dbraw/zinc/14/15/15/450141515.db2.gz ZFXXLCPKOVGHMR-UHFFFAOYSA-N 1 2 347.375 1.118 20 5 EDBDLO C[C@@H](C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000601735203 450199496 /nfs/dbraw/zinc/19/94/96/450199496.db2.gz NKUCRFYHIBKVEW-YPMHNXCESA-N 1 2 339.367 1.626 20 5 EDBDLO C[C@@H](C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000601735203 450199499 /nfs/dbraw/zinc/19/94/99/450199499.db2.gz NKUCRFYHIBKVEW-YPMHNXCESA-N 1 2 339.367 1.626 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000601733422 450197213 /nfs/dbraw/zinc/19/72/13/450197213.db2.gz CBVOVWQUMFOSRW-CYBMUJFWSA-N 1 2 336.392 1.186 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000601733422 450197217 /nfs/dbraw/zinc/19/72/17/450197217.db2.gz CBVOVWQUMFOSRW-CYBMUJFWSA-N 1 2 336.392 1.186 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603327443 450245187 /nfs/dbraw/zinc/24/51/87/450245187.db2.gz CXNZPJQLHPALRT-UHFFFAOYSA-N 1 2 338.389 1.296 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)cn1 ZINC000610728492 450312795 /nfs/dbraw/zinc/31/27/95/450312795.db2.gz AEJQSVAYXRWJDR-UHFFFAOYSA-N 1 2 338.371 1.960 20 5 EDBDLO O=C(NC[C@H]1CN2CC[N@@H+]1CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619873549 450349385 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1 2 347.371 1.897 20 5 EDBDLO C[N@@H+](CCC1CCOCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000121172243 596293807 /nfs/dbraw/zinc/29/38/07/596293807.db2.gz PQOFBXFCRMBUSE-UHFFFAOYSA-N 1 2 347.371 1.897 20 5 EDBDLO COC[C@]1(C)C[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000863342307 596557214 /nfs/dbraw/zinc/55/72/14/596557214.db2.gz AMEISRBCVJGPRI-INIZCTEOSA-N 1 2 334.376 1.948 20 5 EDBDLO COC[C@]1(C)C[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000863342307 596557215 /nfs/dbraw/zinc/55/72/15/596557215.db2.gz AMEISRBCVJGPRI-INIZCTEOSA-N 1 2 334.376 1.948 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865413978 596566999 /nfs/dbraw/zinc/56/69/99/596566999.db2.gz FALQJRZGKLYIEE-UHFFFAOYSA-N 1 2 328.319 1.400 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCF)C2)n1 ZINC000865927778 596725023 /nfs/dbraw/zinc/72/50/23/596725023.db2.gz HKPMTEQBHYSICS-SNVBAGLBSA-N 1 2 326.328 1.622 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865927778 596725025 /nfs/dbraw/zinc/72/50/25/596725025.db2.gz HKPMTEQBHYSICS-SNVBAGLBSA-N 1 2 326.328 1.622 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000876546451 597234827 /nfs/dbraw/zinc/23/48/27/597234827.db2.gz KOOFCTLDFTUCLR-UHFFFAOYSA-N 1 2 334.420 1.417 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000876546451 597234829 /nfs/dbraw/zinc/23/48/29/597234829.db2.gz KOOFCTLDFTUCLR-UHFFFAOYSA-N 1 2 334.420 1.417 20 5 EDBDLO COc1ccc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC000879521731 597616295 /nfs/dbraw/zinc/61/62/95/597616295.db2.gz QSXUOFPRRSXOKU-MRXNPFEDSA-N 1 2 331.376 1.446 20 5 EDBDLO COc1ccc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC000879521731 597616296 /nfs/dbraw/zinc/61/62/96/597616296.db2.gz QSXUOFPRRSXOKU-MRXNPFEDSA-N 1 2 331.376 1.446 20 5 EDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000882765004 598047531 /nfs/dbraw/zinc/04/75/31/598047531.db2.gz MWAKQJZJOUNQGZ-LBPRGKRZSA-N 1 2 327.406 1.584 20 5 EDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000882765004 598047535 /nfs/dbraw/zinc/04/75/35/598047535.db2.gz MWAKQJZJOUNQGZ-LBPRGKRZSA-N 1 2 327.406 1.584 20 5 EDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000882765711 598048582 /nfs/dbraw/zinc/04/85/82/598048582.db2.gz HSLBWKSMUJVXDN-SNVBAGLBSA-N 1 2 347.824 1.929 20 5 EDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000882765711 598048585 /nfs/dbraw/zinc/04/85/85/598048585.db2.gz HSLBWKSMUJVXDN-SNVBAGLBSA-N 1 2 347.824 1.929 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662028 697437213 /nfs/dbraw/zinc/43/72/13/697437213.db2.gz QZQNLSNANVZHNX-BXUZGUMPSA-N 1 2 341.770 1.692 20 5 EDBDLO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[NH+]1CCOCC1 ZINC000921002527 697500226 /nfs/dbraw/zinc/50/02/26/697500226.db2.gz OBXMTSSYPQJZAN-HNNXBMFYSA-N 1 2 339.367 1.821 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001002238893 708739139 /nfs/dbraw/zinc/73/91/39/708739139.db2.gz LLNVIUUMDNLZFP-UHFFFAOYSA-N 1 2 344.375 1.118 20 5 EDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001005378421 708839461 /nfs/dbraw/zinc/83/94/61/708839461.db2.gz KQCZNHDYUUQLLU-HUUCEWRRSA-N 1 2 336.367 1.309 20 5 EDBDLO COc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001005379834 708842233 /nfs/dbraw/zinc/84/22/33/708842233.db2.gz XPCMQLDVFYANIA-HUUCEWRRSA-N 1 2 348.403 1.178 20 5 EDBDLO Cc1ncoc1C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001002536903 709094286 /nfs/dbraw/zinc/09/42/86/709094286.db2.gz JVLFSHDZQRFBCL-UHFFFAOYSA-N 1 2 348.363 1.019 20 5 EDBDLO Cn1ccc(C(=O)NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC001002596422 709148219 /nfs/dbraw/zinc/14/82/19/709148219.db2.gz IWLPAKZFSXVHFL-UHFFFAOYSA-N 1 2 346.391 1.061 20 5 EDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000077383542 282590125 /nfs/dbraw/zinc/59/01/25/282590125.db2.gz WYVRKFKRWZLBBS-UHFFFAOYSA-N 1 2 344.780 1.802 20 5 EDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187302780 236172581 /nfs/dbraw/zinc/17/25/81/236172581.db2.gz SLWKQFCCCZYTMI-INIZCTEOSA-N 1 2 333.388 1.712 20 5 EDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187302780 236172582 /nfs/dbraw/zinc/17/25/82/236172582.db2.gz SLWKQFCCCZYTMI-INIZCTEOSA-N 1 2 333.388 1.712 20 5 EDBDLO CNC(=O)c1ccc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000267513242 283480743 /nfs/dbraw/zinc/48/07/43/283480743.db2.gz CLQKOAFTFIUXDT-WBMJQRKESA-N 1 2 348.403 1.111 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194751575 139000003 /nfs/dbraw/zinc/00/00/03/139000003.db2.gz AQJWVSWWHCOTQW-TXEJJXNPSA-N 1 2 339.367 1.915 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194751575 139000004 /nfs/dbraw/zinc/00/00/04/139000004.db2.gz AQJWVSWWHCOTQW-TXEJJXNPSA-N 1 2 339.367 1.915 20 5 EDBDLO O=[N+]([O-])c1ccccc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000105787977 204157450 /nfs/dbraw/zinc/15/74/50/204157450.db2.gz HULUFTBBDFGHEL-ZDUSSCGKSA-N 1 2 329.360 1.958 20 5 EDBDLO O=[N+]([O-])c1ccccc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000105787977 204157456 /nfs/dbraw/zinc/15/74/56/204157456.db2.gz HULUFTBBDFGHEL-ZDUSSCGKSA-N 1 2 329.360 1.958 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000110924227 204327615 /nfs/dbraw/zinc/32/76/15/204327615.db2.gz GBQQBRQITUTQEK-UHFFFAOYSA-N 1 2 337.376 1.398 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000133989250 205387259 /nfs/dbraw/zinc/38/72/59/205387259.db2.gz GJQQAVCBHFSPEK-UHFFFAOYSA-N 1 2 333.348 1.731 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000133989250 205387263 /nfs/dbraw/zinc/38/72/63/205387263.db2.gz GJQQAVCBHFSPEK-UHFFFAOYSA-N 1 2 333.348 1.731 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](CCO)Cc1cccnc1 ZINC000157048146 206112631 /nfs/dbraw/zinc/11/26/31/206112631.db2.gz QPMHIGWZRJOFCB-CYBMUJFWSA-N 1 2 344.371 1.811 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](CCO)Cc1cccnc1 ZINC000157048146 206112637 /nfs/dbraw/zinc/11/26/37/206112637.db2.gz QPMHIGWZRJOFCB-CYBMUJFWSA-N 1 2 344.371 1.811 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2nncn2C)c([N+](=O)[O-])c1 ZINC000157031860 206112683 /nfs/dbraw/zinc/11/26/83/206112683.db2.gz XLEQIKHWEWBMAV-ZDUSSCGKSA-N 1 2 347.375 1.948 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCC[C@H]2c2nncn2C)c([N+](=O)[O-])c1 ZINC000157031860 206112689 /nfs/dbraw/zinc/11/26/89/206112689.db2.gz XLEQIKHWEWBMAV-ZDUSSCGKSA-N 1 2 347.375 1.948 20 5 EDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157677515 206151275 /nfs/dbraw/zinc/15/12/75/206151275.db2.gz LVDVIIFGCOFEJP-UHFFFAOYSA-N 1 2 347.375 1.849 20 5 EDBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157677515 206151279 /nfs/dbraw/zinc/15/12/79/206151279.db2.gz LVDVIIFGCOFEJP-UHFFFAOYSA-N 1 2 347.375 1.849 20 5 EDBDLO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1c(F)cccc1F ZINC000159622275 206256293 /nfs/dbraw/zinc/25/62/93/206256293.db2.gz FKQXXXMOSVAOLK-JTQLQIEISA-N 1 2 339.302 1.629 20 5 EDBDLO NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000247750731 139154850 /nfs/dbraw/zinc/15/48/50/139154850.db2.gz SJSZCXJKAPAENE-GFCCVEGCSA-N 1 2 343.343 1.118 20 5 EDBDLO COc1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000415993534 251044684 /nfs/dbraw/zinc/04/46/84/251044684.db2.gz TWHYBHOCDUSLSQ-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291240008 285112038 /nfs/dbraw/zinc/11/20/38/285112038.db2.gz LDLOSXTUNPMYMC-SNVBAGLBSA-N 1 2 331.275 1.953 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291240008 285112039 /nfs/dbraw/zinc/11/20/39/285112039.db2.gz LDLOSXTUNPMYMC-SNVBAGLBSA-N 1 2 331.275 1.953 20 5 EDBDLO O=[N+]([O-])c1cccc2ncnc(N3CCN(Cc4[nH]cc[nH+]4)CC3)c21 ZINC000347421106 285158602 /nfs/dbraw/zinc/15/86/02/285158602.db2.gz XCEMMDDSCUUEFQ-UHFFFAOYSA-N 1 2 339.359 1.583 20 5 EDBDLO COCCO[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000189704027 533167545 /nfs/dbraw/zinc/16/75/45/533167545.db2.gz CZCARHSFYVDCMF-OAHLLOKOSA-N 1 2 349.387 1.221 20 5 EDBDLO COCCO[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000189704027 533167552 /nfs/dbraw/zinc/16/75/52/533167552.db2.gz CZCARHSFYVDCMF-OAHLLOKOSA-N 1 2 349.387 1.221 20 5 EDBDLO Cc1c(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000490205641 255081077 /nfs/dbraw/zinc/08/10/77/255081077.db2.gz YFXZTAJVBTWQOT-HNNXBMFYSA-N 1 2 348.403 1.566 20 5 EDBDLO Cc1c(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000490205641 255081079 /nfs/dbraw/zinc/08/10/79/255081079.db2.gz YFXZTAJVBTWQOT-HNNXBMFYSA-N 1 2 348.403 1.566 20 5 EDBDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000495207521 255273065 /nfs/dbraw/zinc/27/30/65/255273065.db2.gz YBCQBXXPRLVQTR-OAHLLOKOSA-N 1 2 337.332 1.109 20 5 EDBDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000495207521 255273066 /nfs/dbraw/zinc/27/30/66/255273066.db2.gz YBCQBXXPRLVQTR-OAHLLOKOSA-N 1 2 337.332 1.109 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)s1 ZINC000271280861 140270541 /nfs/dbraw/zinc/27/05/41/140270541.db2.gz OAIRONBRAVEOPV-UHFFFAOYSA-N 1 2 342.402 1.979 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000331454856 141032373 /nfs/dbraw/zinc/03/23/73/141032373.db2.gz ZVWVDQMIOQVRON-NSHDSACASA-N 1 2 332.364 1.455 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000331454856 141032375 /nfs/dbraw/zinc/03/23/75/141032375.db2.gz ZVWVDQMIOQVRON-NSHDSACASA-N 1 2 332.364 1.455 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332456021 141184886 /nfs/dbraw/zinc/18/48/86/141184886.db2.gz GKUZPUVKMUSXQO-CABCVRRESA-N 1 2 334.376 1.209 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332456021 141184888 /nfs/dbraw/zinc/18/48/88/141184888.db2.gz GKUZPUVKMUSXQO-CABCVRRESA-N 1 2 334.376 1.209 20 5 EDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332628830 141218720 /nfs/dbraw/zinc/21/87/20/141218720.db2.gz DZKHEFPRHZCWTB-CYBMUJFWSA-N 1 2 338.339 1.672 20 5 EDBDLO C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000347980175 143386989 /nfs/dbraw/zinc/38/69/89/143386989.db2.gz CFPBBVRWBCKSCK-VQISRLSMSA-N 1 2 337.351 1.379 20 5 EDBDLO C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000347980175 143386990 /nfs/dbraw/zinc/38/69/90/143386990.db2.gz CFPBBVRWBCKSCK-VQISRLSMSA-N 1 2 337.351 1.379 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000350872091 292178721 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349.387 1.518 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000354894369 150016100 /nfs/dbraw/zinc/01/61/00/150016100.db2.gz HBWDQXWOTDRDKW-CYBMUJFWSA-N 1 2 349.387 1.518 20 5 EDBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355381281 150244396 /nfs/dbraw/zinc/24/43/96/150244396.db2.gz OLNKBVUTTCNORX-OLZOCXBDSA-N 1 2 349.387 1.973 20 5 EDBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355381281 150244399 /nfs/dbraw/zinc/24/43/99/150244399.db2.gz OLNKBVUTTCNORX-OLZOCXBDSA-N 1 2 349.387 1.973 20 5 EDBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000355631123 150343909 /nfs/dbraw/zinc/34/39/09/150343909.db2.gz JHRMTIIHRKXTOJ-UHFFFAOYSA-N 1 2 336.373 1.179 20 5 EDBDLO CC(C)c1[nH]nc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c1[N+](=O)[O-] ZINC000357663681 151107457 /nfs/dbraw/zinc/10/74/57/151107457.db2.gz JDGHYGIXAQSRAI-SECBINFHSA-N 1 2 333.352 1.164 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358157885 151290781 /nfs/dbraw/zinc/29/07/81/151290781.db2.gz RXGQKLVKUBZAAV-UHFFFAOYSA-N 1 2 344.375 1.678 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000360858830 152232266 /nfs/dbraw/zinc/23/22/66/152232266.db2.gz URRPCUIHTAPXJA-WCQYABFASA-N 1 2 330.344 1.481 20 5 EDBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000361191926 152331316 /nfs/dbraw/zinc/33/13/16/152331316.db2.gz ROWDBROQYDJGMW-SJORKVTESA-N 1 2 341.367 1.713 20 5 EDBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000361191926 152331319 /nfs/dbraw/zinc/33/13/19/152331319.db2.gz ROWDBROQYDJGMW-SJORKVTESA-N 1 2 341.367 1.713 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1n1cc[nH+]c1 ZINC000364653585 153294883 /nfs/dbraw/zinc/29/48/83/153294883.db2.gz RSBMOKYGDWQYOV-MFKMUULPSA-N 1 2 330.348 1.492 20 5 EDBDLO Cn1c[nH+]c2c1CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 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EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000284845275 274356750 /nfs/dbraw/zinc/35/67/50/274356750.db2.gz ONTDLOPEHNMFMS-LBPRGKRZSA-N 1 2 330.348 1.897 20 5 EDBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285954849 287900089 /nfs/dbraw/zinc/90/00/89/287900089.db2.gz CTHQKFOUQXBKRQ-SNVBAGLBSA-N 1 2 335.389 1.898 20 5 EDBDLO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000287438628 288238542 /nfs/dbraw/zinc/23/85/42/288238542.db2.gz QZDKNWYMXSSZOO-QWHCGFSZSA-N 1 2 348.403 1.421 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000287907312 288353537 /nfs/dbraw/zinc/35/35/37/288353537.db2.gz VSEJYGIDJYSMDL-UHFFFAOYSA-N 1 2 336.348 1.053 20 5 EDBDLO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359219136 289143593 /nfs/dbraw/zinc/14/35/93/289143593.db2.gz NENBFTBSWKBXRH-CYBMUJFWSA-N 1 2 337.376 1.483 20 5 EDBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292065470 289253457 /nfs/dbraw/zinc/25/34/57/289253457.db2.gz CIUMTRLGMFUNOG-GFCCVEGCSA-N 1 2 347.824 1.714 20 5 EDBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292065470 289253459 /nfs/dbraw/zinc/25/34/59/289253459.db2.gz CIUMTRLGMFUNOG-GFCCVEGCSA-N 1 2 347.824 1.714 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346634577 289383532 /nfs/dbraw/zinc/38/35/32/289383532.db2.gz GJHAGHJBEPCFFP-ZAZJYDDPSA-N 1 2 346.387 1.508 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346634577 289383537 /nfs/dbraw/zinc/38/35/37/289383537.db2.gz GJHAGHJBEPCFFP-ZAZJYDDPSA-N 1 2 346.387 1.508 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000348022382 301012937 /nfs/dbraw/zinc/01/29/37/301012937.db2.gz AHQULGAQNWJSKB-UHFFFAOYSA-N 1 2 348.340 1.446 20 5 EDBDLO COc1cc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c([N+](=O)[O-])cc1F ZINC000296926529 303347288 /nfs/dbraw/zinc/34/72/88/303347288.db2.gz PXHACBKRFVNIAM-GFCCVEGCSA-N 1 2 349.322 1.465 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000298330539 303516061 /nfs/dbraw/zinc/51/60/61/303516061.db2.gz FOVWWPGSMHODBH-UHFFFAOYSA-N 1 2 332.364 1.723 20 5 EDBDLO COc1ccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000298961618 303573710 /nfs/dbraw/zinc/57/37/10/303573710.db2.gz XTVIRPDCZKITNZ-NSHDSACASA-N 1 2 333.348 1.688 20 5 EDBDLO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000424973611 304943329 /nfs/dbraw/zinc/94/33/29/304943329.db2.gz DYOZHPRDIYBFNR-UHFFFAOYSA-N 1 2 327.406 1.839 20 5 EDBDLO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000429835858 305038375 /nfs/dbraw/zinc/03/83/75/305038375.db2.gz CTXDLEQQNHVUOE-ZDUSSCGKSA-N 1 2 335.404 1.709 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000430216710 305047817 /nfs/dbraw/zinc/04/78/17/305047817.db2.gz GAQJSFVEZIAOPV-NSHDSACASA-N 1 2 328.390 1.470 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000430216710 305047818 /nfs/dbraw/zinc/04/78/18/305047818.db2.gz GAQJSFVEZIAOPV-NSHDSACASA-N 1 2 328.390 1.470 20 5 EDBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000437069484 305172420 /nfs/dbraw/zinc/17/24/20/305172420.db2.gz PHDWDMUHTZGDHB-MNOVXSKESA-N 1 2 332.364 1.791 20 5 EDBDLO O=C(N[C@H](CO)CC(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451190870 305333866 /nfs/dbraw/zinc/33/38/66/305333866.db2.gz IIMVCEUYCDYKNY-JTQLQIEISA-N 1 2 340.286 1.526 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451424243 305345436 /nfs/dbraw/zinc/34/54/36/305345436.db2.gz FXCVANLTULUNEM-YMTOWFKASA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451424243 305345437 /nfs/dbraw/zinc/34/54/37/305345437.db2.gz FXCVANLTULUNEM-YMTOWFKASA-N 1 2 329.303 1.624 20 5 EDBDLO COC(=O)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451613496 305356260 /nfs/dbraw/zinc/35/62/60/305356260.db2.gz QWHLMGRCUNIENH-SNVBAGLBSA-N 1 2 332.316 1.414 20 5 EDBDLO O=C(NCCCNc1cccc[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522918416 305806400 /nfs/dbraw/zinc/80/64/00/305806400.db2.gz DDODBJRRDFEFOO-UHFFFAOYSA-N 1 2 344.327 1.951 20 5 EDBDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000543542122 306064682 /nfs/dbraw/zinc/06/46/82/306064682.db2.gz MZRHBXRGQFXARJ-ZANVPECISA-N 1 2 331.332 1.742 20 5 EDBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000543548163 306064723 /nfs/dbraw/zinc/06/47/23/306064723.db2.gz UTKURBJOJACQJT-SECBINFHSA-N 1 2 331.332 1.526 20 5 EDBDLO C[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555312929 306201191 /nfs/dbraw/zinc/20/11/91/306201191.db2.gz MUIXABQQTCVALL-LBPRGKRZSA-N 1 2 348.403 1.106 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000058297256 441175177 /nfs/dbraw/zinc/17/51/77/441175177.db2.gz SLDODDMKSVXFKB-JTQLQIEISA-N 1 2 332.316 1.396 20 5 EDBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000080585476 441181074 /nfs/dbraw/zinc/18/10/74/441181074.db2.gz CJVOGKFMEJBNHR-UHFFFAOYSA-N 1 2 333.392 1.043 20 5 EDBDLO O=C(NCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000014795853 441189363 /nfs/dbraw/zinc/18/93/63/441189363.db2.gz CYUSDHGDKRXMDG-UHFFFAOYSA-N 1 2 348.403 1.257 20 5 EDBDLO O=C(Cn1cnc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000026124818 441367086 /nfs/dbraw/zinc/36/70/86/441367086.db2.gz VDDHAUUFMOPUKY-UHFFFAOYSA-N 1 2 335.389 1.197 20 5 EDBDLO Cc1nc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000074311315 441419431 /nfs/dbraw/zinc/41/94/31/441419431.db2.gz AGSBKQYCQNYESM-UHFFFAOYSA-N 1 2 331.376 1.912 20 5 EDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588331 441536461 /nfs/dbraw/zinc/53/64/61/441536461.db2.gz JEVWKOGMWKUUNX-UONOGXRCSA-N 1 2 346.431 1.941 20 5 EDBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588331 441536466 /nfs/dbraw/zinc/53/64/66/441536466.db2.gz JEVWKOGMWKUUNX-UONOGXRCSA-N 1 2 346.431 1.941 20 5 EDBDLO COc1cc(C(=O)NCc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000114335813 441646568 /nfs/dbraw/zinc/64/65/68/441646568.db2.gz WUTXRGNOIQCRHS-UHFFFAOYSA-N 1 2 342.258 1.858 20 5 EDBDLO Cn1cc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000077359500 441762000 /nfs/dbraw/zinc/76/20/00/441762000.db2.gz YZFGWDYAOCRNEM-UHFFFAOYSA-N 1 2 343.387 1.329 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000137639480 441775867 /nfs/dbraw/zinc/77/58/67/441775867.db2.gz BMSDISVVMBGODB-LLVKDONJSA-N 1 2 337.405 1.875 20 5 EDBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173637690 441810049 /nfs/dbraw/zinc/81/00/49/441810049.db2.gz PLGSEONYGDVYFM-LLVKDONJSA-N 1 2 344.375 1.639 20 5 EDBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000119152927 441919798 /nfs/dbraw/zinc/91/97/98/441919798.db2.gz PBARXIVJGLFPAS-UHFFFAOYSA-N 1 2 344.375 1.318 20 5 EDBDLO Cc1cc(C)nc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000123195551 441880362 /nfs/dbraw/zinc/88/03/62/441880362.db2.gz KWAXEZWMDNFMSV-UHFFFAOYSA-N 1 2 331.380 1.020 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000069465762 441943906 /nfs/dbraw/zinc/94/39/06/441943906.db2.gz VGZCMKASSAAMDL-UHFFFAOYSA-N 1 2 342.359 1.891 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000175092304 442002622 /nfs/dbraw/zinc/00/26/22/442002622.db2.gz YSJPBUQDDKGOOS-UHFFFAOYSA-N 1 2 339.417 1.680 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000120161083 442019047 /nfs/dbraw/zinc/01/90/47/442019047.db2.gz WQTRYMKCVFKZIT-GJZGRUSLSA-N 1 2 334.376 1.758 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000120161083 442019053 /nfs/dbraw/zinc/01/90/53/442019053.db2.gz WQTRYMKCVFKZIT-GJZGRUSLSA-N 1 2 334.376 1.758 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000152221903 442184159 /nfs/dbraw/zinc/18/41/59/442184159.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 1 2 331.380 1.666 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000152221903 442184165 /nfs/dbraw/zinc/18/41/65/442184165.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 1 2 331.380 1.666 20 5 EDBDLO C[C@@H](NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)N(C)C ZINC000153255497 442271027 /nfs/dbraw/zinc/27/10/27/442271027.db2.gz GCLLTQDGKHMYES-GFCCVEGCSA-N 1 2 348.403 1.152 20 5 EDBDLO C[C@@H](NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)N(C)C ZINC000153255497 442271031 /nfs/dbraw/zinc/27/10/31/442271031.db2.gz GCLLTQDGKHMYES-GFCCVEGCSA-N 1 2 348.403 1.152 20 5 EDBDLO CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171487334 442352354 /nfs/dbraw/zinc/35/23/54/442352354.db2.gz MRCLJCPHVGUPPZ-CYBMUJFWSA-N 1 2 343.343 1.131 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCn2cc[nH+]c2C1 ZINC000155841007 442431369 /nfs/dbraw/zinc/43/13/69/442431369.db2.gz KVOJBFZXDONWDI-GFCCVEGCSA-N 1 2 329.360 1.582 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000191844859 442522123 /nfs/dbraw/zinc/52/21/23/442522123.db2.gz FDFVKYIMTMKGIV-RYUDHWBXSA-N 1 2 332.364 1.731 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180506472 442613799 /nfs/dbraw/zinc/61/37/99/442613799.db2.gz OKQJDKSHGCSFTQ-UHFFFAOYSA-N 1 2 340.343 1.660 20 5 EDBDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000181707533 442711579 /nfs/dbraw/zinc/71/15/79/442711579.db2.gz XNLCWZZYFUEPSC-LBPRGKRZSA-N 1 2 328.390 1.479 20 5 EDBDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000181707533 442711581 /nfs/dbraw/zinc/71/15/81/442711581.db2.gz XNLCWZZYFUEPSC-LBPRGKRZSA-N 1 2 328.390 1.479 20 5 EDBDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000193603056 442758557 /nfs/dbraw/zinc/75/85/57/442758557.db2.gz SCOKIQSDQGBEGO-ZANVPECISA-N 1 2 331.332 1.259 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000248445361 442892056 /nfs/dbraw/zinc/89/20/56/442892056.db2.gz GNLUFUXIQYCAGA-MJBXVCDLSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]2N1 ZINC000248445361 442892060 /nfs/dbraw/zinc/89/20/60/442892060.db2.gz GNLUFUXIQYCAGA-MJBXVCDLSA-N 1 2 349.387 1.078 20 5 EDBDLO C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1n1cc[nH+]c1 ZINC000268357866 442960026 /nfs/dbraw/zinc/96/00/26/442960026.db2.gz FYZGLTYCTBHAPX-GXTWGEPZSA-N 1 2 345.359 1.063 20 5 EDBDLO Cc1cc(NC(=O)CC[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000189463769 442960368 /nfs/dbraw/zinc/96/03/68/442960368.db2.gz OTFBJCGDHCSLFW-UHFFFAOYSA-N 1 2 346.343 1.983 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000190160672 443065718 /nfs/dbraw/zinc/06/57/18/443065718.db2.gz RPRSPZDDKXJTKM-MFKMUULPSA-N 1 2 337.376 1.698 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000190160672 443065720 /nfs/dbraw/zinc/06/57/20/443065720.db2.gz RPRSPZDDKXJTKM-MFKMUULPSA-N 1 2 337.376 1.698 20 5 EDBDLO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184799471 443077739 /nfs/dbraw/zinc/07/77/39/443077739.db2.gz CUQGZTWTGAYGRZ-GFCCVEGCSA-N 1 2 349.387 1.531 20 5 EDBDLO Cc1nc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000185401585 443194915 /nfs/dbraw/zinc/19/49/15/443194915.db2.gz KKYCTVBPGHMZCE-UHFFFAOYSA-N 1 2 341.371 1.585 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000185531099 443214471 /nfs/dbraw/zinc/21/44/71/443214471.db2.gz QTBIVEISIMKUIU-NVXWUHKLSA-N 1 2 346.431 1.280 20 5 EDBDLO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264395464 443275918 /nfs/dbraw/zinc/27/59/18/443275918.db2.gz CYJRLPFHBPVRAL-AWEZNQCLSA-N 1 2 347.371 1.870 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276150338 443655665 /nfs/dbraw/zinc/65/56/65/443655665.db2.gz BZNQNFWXNPYQFV-AWEZNQCLSA-N 1 2 348.403 1.360 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276150338 443655666 /nfs/dbraw/zinc/65/56/66/443655666.db2.gz BZNQNFWXNPYQFV-AWEZNQCLSA-N 1 2 348.403 1.360 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@](O)(C2CC2)C1 ZINC000447799920 320144833 /nfs/dbraw/zinc/14/48/33/320144833.db2.gz NLQBTNMETGTWGG-GOSISDBHSA-N 1 2 347.415 1.778 20 5 EDBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000280846025 443757800 /nfs/dbraw/zinc/75/78/00/443757800.db2.gz MHGXCQJCSYJHQJ-LLVKDONJSA-N 1 2 332.360 1.989 20 5 EDBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000280846025 443757803 /nfs/dbraw/zinc/75/78/03/443757803.db2.gz MHGXCQJCSYJHQJ-LLVKDONJSA-N 1 2 332.360 1.989 20 5 EDBDLO CCOc1cc(C[N@H+](CCOC)[C@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000276967411 443881552 /nfs/dbraw/zinc/88/15/52/443881552.db2.gz WHPPMEFVCTYZPY-LLVKDONJSA-N 1 2 325.365 1.316 20 5 EDBDLO CCOc1cc(C[N@@H+](CCOC)[C@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000276967411 443881553 /nfs/dbraw/zinc/88/15/53/443881553.db2.gz WHPPMEFVCTYZPY-LLVKDONJSA-N 1 2 325.365 1.316 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000285184233 443886819 /nfs/dbraw/zinc/88/68/19/443886819.db2.gz BYCZTHDJIMFHPY-JTQLQIEISA-N 1 2 347.824 1.963 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000285184233 443886822 /nfs/dbraw/zinc/88/68/22/443886822.db2.gz BYCZTHDJIMFHPY-JTQLQIEISA-N 1 2 347.824 1.963 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000299083670 443949442 /nfs/dbraw/zinc/94/94/42/443949442.db2.gz SLDODDMKSVXFKB-SNVBAGLBSA-N 1 2 332.316 1.396 20 5 EDBDLO Cc1noc([C@]2(O)CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000285371399 443959565 /nfs/dbraw/zinc/95/95/65/443959565.db2.gz 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CC1(C)C[S@](=O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330990320 444349533 /nfs/dbraw/zinc/34/95/33/444349533.db2.gz HDUUGYYEYWTSAC-JCQPUDPBSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000331133662 444410004 /nfs/dbraw/zinc/41/00/04/444410004.db2.gz CEMULWGNTOEQSL-SZEFRSOISA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000331133662 444410011 /nfs/dbraw/zinc/41/00/11/444410011.db2.gz CEMULWGNTOEQSL-SZEFRSOISA-N 1 2 342.417 1.176 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332199304 444504905 /nfs/dbraw/zinc/50/49/05/444504905.db2.gz CYIKRSLZXBGTQW-QWHCGFSZSA-N 1 2 339.779 1.712 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332199304 444504908 /nfs/dbraw/zinc/50/49/08/444504908.db2.gz CYIKRSLZXBGTQW-QWHCGFSZSA-N 1 2 339.779 1.712 20 5 EDBDLO 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CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356218140 445680556 /nfs/dbraw/zinc/68/05/56/445680556.db2.gz LGDHTIHXWIMDKM-OAHLLOKOSA-N 1 2 337.376 1.387 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000353894962 445802181 /nfs/dbraw/zinc/80/21/81/445802181.db2.gz KTOIOGWBLKYSLB-JTQLQIEISA-N 1 2 342.783 1.940 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000353894962 445802185 /nfs/dbraw/zinc/80/21/85/445802185.db2.gz KTOIOGWBLKYSLB-JTQLQIEISA-N 1 2 342.783 1.940 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000350829982 445920726 /nfs/dbraw/zinc/92/07/26/445920726.db2.gz KOXQBXRTTAEIQQ-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000350829982 445920729 /nfs/dbraw/zinc/92/07/29/445920729.db2.gz KOXQBXRTTAEIQQ-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 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Cn1cc(C[NH+]2CC(n3ccnn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376506255 446540652 /nfs/dbraw/zinc/54/06/52/446540652.db2.gz PBRFHTQKFIFLCC-UHFFFAOYSA-N 1 2 339.359 1.644 20 5 EDBDLO CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000376589587 446594561 /nfs/dbraw/zinc/59/45/61/446594561.db2.gz IZTFTEKCGNQWSA-LBPRGKRZSA-N 1 2 343.347 1.737 20 5 EDBDLO CN(C)c1ncnc2c1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000377495457 447165000 /nfs/dbraw/zinc/16/50/00/447165000.db2.gz OTDTUHWAFDPVOW-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO CN(C)c1ncnc2c1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000377495457 447165004 /nfs/dbraw/zinc/16/50/04/447165004.db2.gz OTDTUHWAFDPVOW-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000413443771 447184838 /nfs/dbraw/zinc/18/48/38/447184838.db2.gz VHZGHCVXSLUTCS-DFBGVHRSSA-N 1 2 334.376 1.380 20 5 EDBDLO C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000413443771 447184843 /nfs/dbraw/zinc/18/48/43/447184843.db2.gz VHZGHCVXSLUTCS-DFBGVHRSSA-N 1 2 334.376 1.380 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000421577803 447189317 /nfs/dbraw/zinc/18/93/17/447189317.db2.gz REJLNNWWHCFORU-AWEZNQCLSA-N 1 2 333.388 1.805 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000421577803 447189327 /nfs/dbraw/zinc/18/93/27/447189327.db2.gz REJLNNWWHCFORU-AWEZNQCLSA-N 1 2 333.388 1.805 20 5 EDBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376006778 447206440 /nfs/dbraw/zinc/20/64/40/447206440.db2.gz KJWWUBKERICVPK-RHSMWYFYSA-N 1 2 349.387 1.464 20 5 EDBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000376006778 447206443 /nfs/dbraw/zinc/20/64/43/447206443.db2.gz KJWWUBKERICVPK-RHSMWYFYSA-N 1 2 349.387 1.464 20 5 EDBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000495619860 447527021 /nfs/dbraw/zinc/52/70/21/447527021.db2.gz QEGPEVJLNUYDEN-GFCCVEGCSA-N 1 2 339.396 1.817 20 5 EDBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000495619860 447527024 /nfs/dbraw/zinc/52/70/24/447527024.db2.gz QEGPEVJLNUYDEN-GFCCVEGCSA-N 1 2 339.396 1.817 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCO1 ZINC000427743392 447640906 /nfs/dbraw/zinc/64/09/06/447640906.db2.gz RZNJFHVDCRQUSW-GFCCVEGCSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCO1 ZINC000427743392 447640911 /nfs/dbraw/zinc/64/09/11/447640911.db2.gz RZNJFHVDCRQUSW-GFCCVEGCSA-N 1 2 337.376 1.444 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000450937590 447625838 /nfs/dbraw/zinc/62/58/38/447625838.db2.gz ILONMKNTCYHMLE-UHFFFAOYSA-N 1 2 335.364 1.260 20 5 EDBDLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000457973221 447688234 /nfs/dbraw/zinc/68/82/34/447688234.db2.gz HFDGHDHQRDAISP-UHFFFAOYSA-N 1 2 349.387 1.206 20 5 EDBDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451942819 447793746 /nfs/dbraw/zinc/79/37/46/447793746.db2.gz GMRSLLMJBBFYNX-CHWSQXEVSA-N 1 2 334.332 1.538 20 5 EDBDLO CCc1cc(N)nc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000575979523 447941703 /nfs/dbraw/zinc/94/17/03/447941703.db2.gz XERWMNXIVKTSQL-UHFFFAOYSA-N 1 2 333.373 1.921 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491518777 448051806 /nfs/dbraw/zinc/05/18/06/448051806.db2.gz FYXCNPKPRGKHTF-PYEVWLCESA-N 1 2 337.351 1.584 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491518777 448051808 /nfs/dbraw/zinc/05/18/08/448051808.db2.gz FYXCNPKPRGKHTF-PYEVWLCESA-N 1 2 337.351 1.584 20 5 EDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491874422 448141414 /nfs/dbraw/zinc/14/14/14/448141414.db2.gz VNFMTMXQTUMIKA-AATRIKPKSA-N 1 2 341.371 1.676 20 5 EDBDLO Nc1nccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000517064976 448532540 /nfs/dbraw/zinc/53/25/40/448532540.db2.gz OZXMSTJWLUVXBP-UHFFFAOYSA-N 1 2 341.371 1.530 20 5 EDBDLO Cc1nn(C)c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000569038531 448954986 /nfs/dbraw/zinc/95/49/86/448954986.db2.gz HAWJWWUQFWLZNS-UHFFFAOYSA-N 1 2 345.350 1.344 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(O)(CO)CC1 ZINC000595734132 449136952 /nfs/dbraw/zinc/13/69/52/449136952.db2.gz VUJSJFCTXMZXSS-NSHDSACASA-N 1 2 348.359 1.525 20 5 EDBDLO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000590398959 449147713 /nfs/dbraw/zinc/14/77/13/449147713.db2.gz AXQGFDWOLLKIKD-OCCSQVGLSA-N 1 2 335.360 1.236 20 5 EDBDLO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000590398959 449147715 /nfs/dbraw/zinc/14/77/15/449147715.db2.gz AXQGFDWOLLKIKD-OCCSQVGLSA-N 1 2 335.360 1.236 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597999884 449185733 /nfs/dbraw/zinc/18/57/33/449185733.db2.gz SRDORTMYLIUICZ-QWRGUYRKSA-N 1 2 339.396 1.280 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597999884 449185736 /nfs/dbraw/zinc/18/57/36/449185736.db2.gz SRDORTMYLIUICZ-QWRGUYRKSA-N 1 2 339.396 1.280 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000940 449187579 /nfs/dbraw/zinc/18/75/79/449187579.db2.gz VXDDYBQWZWPMOZ-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000940 449187584 /nfs/dbraw/zinc/18/75/84/449187584.db2.gz VXDDYBQWZWPMOZ-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO Cc1sc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611165987 449195329 /nfs/dbraw/zinc/19/53/29/449195329.db2.gz SROGBZOAGGSFAC-UHFFFAOYSA-N 1 2 327.406 1.493 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604528463 449246579 /nfs/dbraw/zinc/24/65/79/449246579.db2.gz UDVDIQDJCAOUDQ-UHFFFAOYSA-N 1 2 344.375 1.315 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601974960 449256161 /nfs/dbraw/zinc/25/61/61/449256161.db2.gz VLECXRNYVFFFLL-AOOOYVTPSA-N 1 2 325.752 1.765 20 5 EDBDLO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601974960 449256166 /nfs/dbraw/zinc/25/61/66/449256166.db2.gz VLECXRNYVFFFLL-AOOOYVTPSA-N 1 2 325.752 1.765 20 5 EDBDLO COC[C@H]1C[C@@H](O)CN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593497282 449309860 /nfs/dbraw/zinc/30/98/60/449309860.db2.gz ALOMEUNDEHYOLY-HUUCEWRRSA-N 1 2 344.371 1.946 20 5 EDBDLO COCCOCC[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596292068 449459366 /nfs/dbraw/zinc/45/93/66/449459366.db2.gz PYAQJYZLEKBFQZ-UHFFFAOYSA-N 1 2 329.422 1.750 20 5 EDBDLO COC(=O)[C@@H]([NH2+]CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596246886 449437611 /nfs/dbraw/zinc/43/76/11/449437611.db2.gz JOZLCTXQKCVQLZ-NSHDSACASA-N 1 2 326.353 1.285 20 5 EDBDLO C[C@@H]1COCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612104075 449564424 /nfs/dbraw/zinc/56/44/24/449564424.db2.gz MWTGIWKFKWBLMX-GFCCVEGCSA-N 1 2 328.390 1.479 20 5 EDBDLO C[C@@H]1COCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612104075 449564430 /nfs/dbraw/zinc/56/44/30/449564430.db2.gz MWTGIWKFKWBLMX-GFCCVEGCSA-N 1 2 328.390 1.479 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000600973937 449627323 /nfs/dbraw/zinc/62/73/23/449627323.db2.gz STCJHNQZADYCHD-UHFFFAOYSA-N 1 2 347.375 1.118 20 5 EDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598946948 449664627 /nfs/dbraw/zinc/66/46/27/449664627.db2.gz JGRIHBURUWIMMQ-MRVPVSSYSA-N 1 2 338.270 1.747 20 5 EDBDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756193 449670317 /nfs/dbraw/zinc/67/03/17/449670317.db2.gz ZQJPGQZTYWSOGF-LLVKDONJSA-N 1 2 328.394 1.143 20 5 EDBDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756193 449670320 /nfs/dbraw/zinc/67/03/20/449670320.db2.gz ZQJPGQZTYWSOGF-LLVKDONJSA-N 1 2 328.394 1.143 20 5 EDBDLO Cn1cc(C[C@H](CO)Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])cn1 ZINC000599089622 449726258 /nfs/dbraw/zinc/72/62/58/449726258.db2.gz GLIONMYBMNSPKL-CYBMUJFWSA-N 1 2 327.344 1.892 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104835 449692622 /nfs/dbraw/zinc/69/26/22/449692622.db2.gz ITWDUAWHVSLJDB-MRVPVSSYSA-N 1 2 337.302 1.480 20 5 EDBDLO COc1ccc(N2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)nc1 ZINC000602685275 449748985 /nfs/dbraw/zinc/74/89/85/449748985.db2.gz FBXYPMOQLOMRHE-UHFFFAOYSA-N 1 2 332.364 1.054 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000595091025 449866396 /nfs/dbraw/zinc/86/63/96/449866396.db2.gz QZUYGHLYURIGDF-SWLSCSKDSA-N 1 2 329.360 1.286 20 5 EDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000612786177 449877647 /nfs/dbraw/zinc/87/76/47/449877647.db2.gz KZIPAIXVLMYBGY-ZDUSSCGKSA-N 1 2 336.373 1.817 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601413930 449929664 /nfs/dbraw/zinc/92/96/64/449929664.db2.gz LRBUXYKNSBLRCR-SECBINFHSA-N 1 2 333.435 1.679 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601413930 449929667 /nfs/dbraw/zinc/92/96/67/449929667.db2.gz LRBUXYKNSBLRCR-SECBINFHSA-N 1 2 333.435 1.679 20 5 EDBDLO CCOC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599618151 450106703 /nfs/dbraw/zinc/10/67/03/450106703.db2.gz KMOATRLFKXWDIU-ZIAGYGMSSA-N 1 2 340.376 1.072 20 5 EDBDLO CCOC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599618151 450106705 /nfs/dbraw/zinc/10/67/05/450106705.db2.gz KMOATRLFKXWDIU-ZIAGYGMSSA-N 1 2 340.376 1.072 20 5 EDBDLO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597696172 450204865 /nfs/dbraw/zinc/20/48/65/450204865.db2.gz WGTYPSVROBNPLM-OLZOCXBDSA-N 1 2 335.360 1.236 20 5 EDBDLO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597696172 450204868 /nfs/dbraw/zinc/20/48/68/450204868.db2.gz WGTYPSVROBNPLM-OLZOCXBDSA-N 1 2 335.360 1.236 20 5 EDBDLO Cc1sc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597710593 450213732 /nfs/dbraw/zinc/21/37/32/450213732.db2.gz WEOSQYRZMZNSLD-LBPRGKRZSA-N 1 2 339.417 1.902 20 5 EDBDLO Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)CCn1cc[nH+]c1)CC2 ZINC000603302326 450227568 /nfs/dbraw/zinc/22/75/68/450227568.db2.gz XEQXNRWWFLASKN-UHFFFAOYSA-N 1 2 336.373 1.492 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000603374339 450269125 /nfs/dbraw/zinc/26/91/25/450269125.db2.gz KVILQDKPSYDNCX-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000603374339 450269127 /nfs/dbraw/zinc/26/91/27/450269127.db2.gz KVILQDKPSYDNCX-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741145208 579398932 /nfs/dbraw/zinc/39/89/32/579398932.db2.gz PKSRMVIPIIXAJW-CYBMUJFWSA-N 1 2 339.323 1.700 20 5 EDBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741145208 579398934 /nfs/dbraw/zinc/39/89/34/579398934.db2.gz PKSRMVIPIIXAJW-CYBMUJFWSA-N 1 2 339.323 1.700 20 5 EDBDLO Cc1c(CN2CC[NH+](CC[S@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000746476915 579597230 /nfs/dbraw/zinc/59/72/30/579597230.db2.gz XPXRXQYNNVZCHY-QFIPXVFZSA-N 1 2 325.434 1.399 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000763916152 580108271 /nfs/dbraw/zinc/10/82/71/580108271.db2.gz JNOKKSARKQBJIY-KBPBESRZSA-N 1 2 328.390 1.137 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000763916152 580108272 /nfs/dbraw/zinc/10/82/72/580108272.db2.gz JNOKKSARKQBJIY-KBPBESRZSA-N 1 2 328.390 1.137 20 5 EDBDLO CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000770182772 580255228 /nfs/dbraw/zinc/25/52/28/580255228.db2.gz WWZIXZHSFIBKKY-CYBMUJFWSA-N 1 2 333.300 1.889 20 5 EDBDLO C[C@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000774981363 580379777 /nfs/dbraw/zinc/37/97/77/580379777.db2.gz MHMXRPCSNPYGAE-GFCCVEGCSA-N 1 2 340.401 1.954 20 5 EDBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776586811 580422645 /nfs/dbraw/zinc/42/26/45/580422645.db2.gz QJRBDTQKLDEAEV-UONOGXRCSA-N 1 2 328.390 1.137 20 5 EDBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776586811 580422646 /nfs/dbraw/zinc/42/26/46/580422646.db2.gz QJRBDTQKLDEAEV-UONOGXRCSA-N 1 2 328.390 1.137 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000776593320 580423284 /nfs/dbraw/zinc/42/32/84/580423284.db2.gz GWXSDNGJNIPFQZ-SFHVURJKSA-N 1 2 342.399 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000776593320 580423285 /nfs/dbraw/zinc/42/32/85/580423285.db2.gz GWXSDNGJNIPFQZ-SFHVURJKSA-N 1 2 342.399 1.841 20 5 EDBDLO COc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000778949837 580476450 /nfs/dbraw/zinc/47/64/50/580476450.db2.gz CAQGNWYFNCSULH-UHFFFAOYSA-N 1 2 330.406 1.858 20 5 EDBDLO COc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000778949837 580476451 /nfs/dbraw/zinc/47/64/51/580476451.db2.gz CAQGNWYFNCSULH-UHFFFAOYSA-N 1 2 330.406 1.858 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C=O)CC1 ZINC000781559584 580552384 /nfs/dbraw/zinc/55/23/84/580552384.db2.gz HCYGWBFGDUCSOR-GFCCVEGCSA-N 1 2 345.359 1.870 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C=O)CC1 ZINC000781559584 580552385 /nfs/dbraw/zinc/55/23/85/580552385.db2.gz HCYGWBFGDUCSOR-GFCCVEGCSA-N 1 2 345.359 1.870 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781629940 580553482 /nfs/dbraw/zinc/55/34/82/580553482.db2.gz MXYLWDTVHPGFEI-UHFFFAOYSA-N 1 2 333.304 1.486 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000784917434 580631856 /nfs/dbraw/zinc/63/18/56/580631856.db2.gz DMGXCAMBNBUESA-LLVKDONJSA-N 1 2 333.344 1.954 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000784922536 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CCC(=O)N1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077389258 138252566 /nfs/dbraw/zinc/25/25/66/138252566.db2.gz WLDSCOYJBDLZLQ-UHFFFAOYSA-N 1 2 348.403 1.502 20 5 EDBDLO O=C(NC[C@]1(O)CCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000082971372 138268128 /nfs/dbraw/zinc/26/81/28/138268128.db2.gz NBLSVJCPRJEBQX-OAHLLOKOSA-N 1 2 348.384 1.378 20 5 EDBDLO Cc1sc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000124621587 138328356 /nfs/dbraw/zinc/32/83/56/138328356.db2.gz MZZNYHANXWMLAF-JTQLQIEISA-N 1 2 333.435 1.679 20 5 EDBDLO Cc1sc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000124621587 138328357 /nfs/dbraw/zinc/32/83/57/138328357.db2.gz MZZNYHANXWMLAF-JTQLQIEISA-N 1 2 333.435 1.679 20 5 EDBDLO Nc1c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000131303611 138356370 /nfs/dbraw/zinc/35/63/70/138356370.db2.gz XYPHVUSPWGWYGD-GFCCVEGCSA-N 1 2 341.371 1.971 20 5 EDBDLO Cn1nc(C2CC2)nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564905196 306369135 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Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337233074 444996777 /nfs/dbraw/zinc/99/67/77/444996777.db2.gz WBXUEFARACGZOY-SNVBAGLBSA-N 1 2 328.731 1.944 20 5 EDBDLO Cc1cccn2cc(CNC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[nH+]c12 ZINC000343536153 445240411 /nfs/dbraw/zinc/24/04/11/445240411.db2.gz HDGZKFBCUDUSNH-UHFFFAOYSA-N 1 2 341.327 1.029 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351808670 445328617 /nfs/dbraw/zinc/32/86/17/445328617.db2.gz KECNXGKLCCKRIK-KKFJDGPESA-N 1 2 327.768 1.888 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351808670 445328620 /nfs/dbraw/zinc/32/86/20/445328620.db2.gz KECNXGKLCCKRIK-KKFJDGPESA-N 1 2 327.768 1.888 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000357063774 445403723 /nfs/dbraw/zinc/40/37/23/445403723.db2.gz ZJIDLESMMWTIBD-JTQLQIEISA-N 1 2 346.391 1.567 20 5 EDBDLO CCn1ncnc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353587834 445668157 /nfs/dbraw/zinc/66/81/57/445668157.db2.gz JELRBHHFGYCXBQ-HNNXBMFYSA-N 1 2 341.375 1.819 20 5 EDBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000359023775 445894046 /nfs/dbraw/zinc/89/40/46/445894046.db2.gz FAMHGHUKVQFBTR-UHFFFAOYSA-N 1 2 338.327 1.919 20 5 EDBDLO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000365497261 446231361 /nfs/dbraw/zinc/23/13/61/446231361.db2.gz WZFLRNHRIXIECA-AWEZNQCLSA-N 1 2 336.348 1.456 20 5 EDBDLO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000365497261 446231365 /nfs/dbraw/zinc/23/13/65/446231365.db2.gz WZFLRNHRIXIECA-AWEZNQCLSA-N 1 2 336.348 1.456 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000370344437 446239208 /nfs/dbraw/zinc/23/92/08/446239208.db2.gz XLEPMBYDQREXSX-SOUVJXGZSA-N 1 2 338.360 1.281 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000370344437 446239212 /nfs/dbraw/zinc/23/92/12/446239212.db2.gz XLEPMBYDQREXSX-SOUVJXGZSA-N 1 2 338.360 1.281 20 5 EDBDLO COC(=O)c1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC000373740722 446319890 /nfs/dbraw/zinc/31/98/90/446319890.db2.gz JAKXXFRFJCOFGX-SNVBAGLBSA-N 1 2 344.327 1.779 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376219357 446386276 /nfs/dbraw/zinc/38/62/76/446386276.db2.gz NGCINQRCXROTDH-SMDDNHRTSA-N 1 2 334.376 1.233 20 5 EDBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000365803003 446348867 /nfs/dbraw/zinc/34/88/67/446348867.db2.gz PFGABQNTTJNPHD-UHFFFAOYSA-N 1 2 330.329 1.452 20 5 EDBDLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000374989061 446498558 /nfs/dbraw/zinc/49/85/58/446498558.db2.gz PIRGZKBAQGPJEC-JTQLQIEISA-N 1 2 337.332 1.373 20 5 EDBDLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000374989061 446498563 /nfs/dbraw/zinc/49/85/63/446498563.db2.gz PIRGZKBAQGPJEC-JTQLQIEISA-N 1 2 337.332 1.373 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000420455698 446634130 /nfs/dbraw/zinc/63/41/30/446634130.db2.gz ZUOMIAZHDUSTQI-SSDOTTSWSA-N 1 2 341.361 1.179 20 5 EDBDLO CNC(=O)NC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000412052397 446816597 /nfs/dbraw/zinc/81/65/97/446816597.db2.gz FKVPXBVBMBGNFQ-UHFFFAOYSA-N 1 2 349.391 1.235 20 5 EDBDLO CNC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000412056158 446821370 /nfs/dbraw/zinc/82/13/70/446821370.db2.gz RLUXPOOBRYKJAY-NSHDSACASA-N 1 2 349.391 1.315 20 5 EDBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000376998411 446851012 /nfs/dbraw/zinc/85/10/12/446851012.db2.gz UGHSETZIVANSBN-CABCVRRESA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000376998411 446851021 /nfs/dbraw/zinc/85/10/21/446851021.db2.gz UGHSETZIVANSBN-CABCVRRESA-N 1 2 338.360 1.362 20 5 EDBDLO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1csnn1 ZINC000412041572 446803435 /nfs/dbraw/zinc/80/34/35/446803435.db2.gz NFOYRCUBCQQHMW-SECBINFHSA-N 1 2 333.373 1.686 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425500213 447194590 /nfs/dbraw/zinc/19/45/90/447194590.db2.gz LITLJFKFKMBOLH-OLZOCXBDSA-N 1 2 344.375 1.850 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425500213 447194595 /nfs/dbraw/zinc/19/45/95/447194595.db2.gz LITLJFKFKMBOLH-OLZOCXBDSA-N 1 2 344.375 1.850 20 5 EDBDLO CNc1nc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000455948391 447266121 /nfs/dbraw/zinc/26/61/21/447266121.db2.gz PMMWMGGPCOQIMP-FZMZJTMJSA-N 1 2 344.375 1.951 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000450539807 447519902 /nfs/dbraw/zinc/51/99/02/447519902.db2.gz MNLBKIVAMLOFDX-ZDUSSCGKSA-N 1 2 336.392 1.904 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000450539807 447519907 /nfs/dbraw/zinc/51/99/07/447519907.db2.gz MNLBKIVAMLOFDX-ZDUSSCGKSA-N 1 2 336.392 1.904 20 5 EDBDLO CC(C)[N@@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000450956597 447633551 /nfs/dbraw/zinc/63/35/51/447633551.db2.gz RTLCONLOYDLJFZ-SNVBAGLBSA-N 1 2 347.462 1.979 20 5 EDBDLO CC(C)[N@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000450956597 447633556 /nfs/dbraw/zinc/63/35/56/447633556.db2.gz RTLCONLOYDLJFZ-SNVBAGLBSA-N 1 2 347.462 1.979 20 5 EDBDLO C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[NH+]1CCOCC1 ZINC000486962938 447826717 /nfs/dbraw/zinc/82/67/17/447826717.db2.gz DBOOABJHVSAOQN-VXGBXAGGSA-N 1 2 347.375 2.166 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000524162328 447918294 /nfs/dbraw/zinc/91/82/94/447918294.db2.gz SSUQDMZWNADEER-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000524162328 447918298 /nfs/dbraw/zinc/91/82/98/447918298.db2.gz SSUQDMZWNADEER-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553833469 448008440 /nfs/dbraw/zinc/00/84/40/448008440.db2.gz QKELLLQETSTBEV-XJKSGUPXSA-N 1 2 348.403 1.599 20 5 EDBDLO C[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576501139 448069764 /nfs/dbraw/zinc/06/97/64/448069764.db2.gz XYQKKOFOEGWOCB-ZDUSSCGKSA-N 1 2 343.387 1.766 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cccc([N+](=O)[O-])c1 ZINC000577346661 448269358 /nfs/dbraw/zinc/26/93/58/448269358.db2.gz QDSFZQQDEPGJEW-GASCZTMLSA-N 1 2 334.376 1.257 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cccc([N+](=O)[O-])c1 ZINC000577346661 448269364 /nfs/dbraw/zinc/26/93/64/448269364.db2.gz QDSFZQQDEPGJEW-GASCZTMLSA-N 1 2 334.376 1.257 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000584836709 448649621 /nfs/dbraw/zinc/64/96/21/448649621.db2.gz OLBQOPKMEBTUJJ-RYUDHWBXSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000584836709 448649626 /nfs/dbraw/zinc/64/96/26/448649626.db2.gz OLBQOPKMEBTUJJ-RYUDHWBXSA-N 1 2 341.433 1.870 20 5 EDBDLO Cc1cccc2[nH+]c(CCNC(=O)c3c([N+](=O)[O-])cnn3C)cn21 ZINC000592938287 449068110 /nfs/dbraw/zinc/06/81/10/449068110.db2.gz MFLDELUQGFBTQT-UHFFFAOYSA-N 1 2 328.332 1.257 20 5 EDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593064980 449119987 /nfs/dbraw/zinc/11/99/87/449119987.db2.gz VBVJBANUHNPZSI-QWHCGFSZSA-N 1 2 334.332 1.226 20 5 EDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593064980 449119988 /nfs/dbraw/zinc/11/99/88/449119988.db2.gz VBVJBANUHNPZSI-QWHCGFSZSA-N 1 2 334.332 1.226 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595765058 449154821 /nfs/dbraw/zinc/15/48/21/449154821.db2.gz WVXPOSCWFXTRBI-OLZOCXBDSA-N 1 2 341.433 1.930 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595765058 449154823 /nfs/dbraw/zinc/15/48/23/449154823.db2.gz WVXPOSCWFXTRBI-OLZOCXBDSA-N 1 2 341.433 1.930 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600009315 449147273 /nfs/dbraw/zinc/14/72/73/449147273.db2.gz ZILWBLFOQFFZOG-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600009315 449147276 /nfs/dbraw/zinc/14/72/76/449147276.db2.gz ZILWBLFOQFFZOG-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000595759095 449151336 /nfs/dbraw/zinc/15/13/36/449151336.db2.gz NXUGBBGNLGWMTM-UHFFFAOYSA-N 1 2 348.363 1.193 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000595759095 449151342 /nfs/dbraw/zinc/15/13/42/449151342.db2.gz NXUGBBGNLGWMTM-UHFFFAOYSA-N 1 2 348.363 1.193 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595803951 449177397 /nfs/dbraw/zinc/17/73/97/449177397.db2.gz ZFPIXHFTYWDUNX-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595803951 449177400 /nfs/dbraw/zinc/17/74/00/449177400.db2.gz ZFPIXHFTYWDUNX-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000611210479 449217515 /nfs/dbraw/zinc/21/75/15/449217515.db2.gz ISXVTIGSXZZSMO-GFCCVEGCSA-N 1 2 340.343 1.765 20 5 EDBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611256915 449240643 /nfs/dbraw/zinc/24/06/43/449240643.db2.gz ADKNYWIHPBPXQF-CYBMUJFWSA-N 1 2 347.371 1.609 20 5 EDBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611256915 449240646 /nfs/dbraw/zinc/24/06/46/449240646.db2.gz ADKNYWIHPBPXQF-CYBMUJFWSA-N 1 2 347.371 1.609 20 5 EDBDLO NC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600207259 449243888 /nfs/dbraw/zinc/24/38/88/449243888.db2.gz ADTXZKCXTHGQHI-ZDUSSCGKSA-N 1 2 345.355 1.931 20 5 EDBDLO NC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600207259 449243893 /nfs/dbraw/zinc/24/38/93/449243893.db2.gz ADTXZKCXTHGQHI-ZDUSSCGKSA-N 1 2 345.355 1.931 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593443465 449285953 /nfs/dbraw/zinc/28/59/53/449285953.db2.gz IVQAKJWTDOIQKB-LLVKDONJSA-N 1 2 325.340 1.113 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593443465 449285958 /nfs/dbraw/zinc/28/59/58/449285958.db2.gz IVQAKJWTDOIQKB-LLVKDONJSA-N 1 2 325.340 1.113 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000595952919 449278172 /nfs/dbraw/zinc/27/81/72/449278172.db2.gz SZCPYVKAIUCJLS-SNVBAGLBSA-N 1 2 346.347 1.459 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnnn1C1CC[NH2+]CC1 ZINC000595952647 449278582 /nfs/dbraw/zinc/27/85/82/449278582.db2.gz RGIAGUYKVGJVCY-UHFFFAOYSA-N 1 2 332.320 1.069 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000594055099 449340289 /nfs/dbraw/zinc/34/02/89/449340289.db2.gz ZXCZQQGQLJFTQW-UHFFFAOYSA-N 1 2 349.347 1.755 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000594055099 449340296 /nfs/dbraw/zinc/34/02/96/449340296.db2.gz ZXCZQQGQLJFTQW-UHFFFAOYSA-N 1 2 349.347 1.755 20 5 EDBDLO CNc1nccc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000594254065 449412478 /nfs/dbraw/zinc/41/24/78/449412478.db2.gz XCMGTAPWLDYGAD-UHFFFAOYSA-N 1 2 341.371 1.777 20 5 EDBDLO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000598538513 449453420 /nfs/dbraw/zinc/45/34/20/449453420.db2.gz AGNVJNACQWQKHL-GFCCVEGCSA-N 1 2 337.376 1.483 20 5 EDBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000596544393 449546531 /nfs/dbraw/zinc/54/65/31/449546531.db2.gz RCKFYNXQEUWTDW-KDOFPFPSSA-N 1 2 349.431 1.882 20 5 EDBDLO O=C1NCC[NH2+][C@@H]1c1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600795567 449549406 /nfs/dbraw/zinc/54/94/06/449549406.db2.gz ZERSUZBDHMYLDN-QGZVFWFLSA-N 1 2 341.367 1.557 20 5 EDBDLO CSc1cccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000614419197 449601511 /nfs/dbraw/zinc/60/15/11/449601511.db2.gz XVFTXPUUZPIZOT-ZYHUDNBSSA-N 1 2 339.417 1.766 20 5 EDBDLO CSc1cccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000614419197 449601514 /nfs/dbraw/zinc/60/15/14/449601514.db2.gz XVFTXPUUZPIZOT-ZYHUDNBSSA-N 1 2 339.417 1.766 20 5 EDBDLO CCNc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000598872189 449626510 /nfs/dbraw/zinc/62/65/10/449626510.db2.gz WCDWLINPWSOQRW-CQSZACIVSA-N 1 2 348.403 1.573 20 5 EDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949128 449666180 /nfs/dbraw/zinc/66/61/80/449666180.db2.gz UCQJENLALGYJPN-GFCCVEGCSA-N 1 2 339.355 1.946 20 5 EDBDLO O=[N+]([O-])c1c(NCCS(=O)(=O)NC2CC2)ccc2c[nH+]ccc21 ZINC000599020633 449701422 /nfs/dbraw/zinc/70/14/22/449701422.db2.gz UQMSGIMNBJKPLU-UHFFFAOYSA-N 1 2 336.373 1.637 20 5 EDBDLO O=C1CNC(=O)N1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599044515 449708827 /nfs/dbraw/zinc/70/88/27/449708827.db2.gz YQSKWFHWZSXEPY-UHFFFAOYSA-N 1 2 329.316 1.497 20 5 EDBDLO CC[C@H](CNS(C)(=O)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084130 449722981 /nfs/dbraw/zinc/72/29/81/449722981.db2.gz SIWGSFBNXVILDL-LLVKDONJSA-N 1 2 338.389 1.883 20 5 EDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](Cn2ccnn2)C1 ZINC000601196006 449744857 /nfs/dbraw/zinc/74/48/57/449744857.db2.gz CSWXNWVRQJGJAV-ZDUSSCGKSA-N 1 2 340.343 1.640 20 5 EDBDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C(N)=O)C1 ZINC000614662871 449747288 /nfs/dbraw/zinc/74/72/88/449747288.db2.gz KPBKTILHEOFIEC-MFKMUULPSA-N 1 2 335.360 1.452 20 5 EDBDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C(N)=O)C1 ZINC000614662871 449747291 /nfs/dbraw/zinc/74/72/91/449747291.db2.gz KPBKTILHEOFIEC-MFKMUULPSA-N 1 2 335.360 1.452 20 5 EDBDLO COc1ccc(CNC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000599125567 449749949 /nfs/dbraw/zinc/74/99/49/449749949.db2.gz CHGGRRYUMBHXBH-ZDUSSCGKSA-N 1 2 344.371 1.987 20 5 EDBDLO Cc1ccc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599132115 449755304 /nfs/dbraw/zinc/75/53/04/449755304.db2.gz XTISGJUOMVZAOY-KRWDZBQOSA-N 1 2 335.404 1.931 20 5 EDBDLO Cc1ccc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599132115 449755309 /nfs/dbraw/zinc/75/53/09/449755309.db2.gz XTISGJUOMVZAOY-KRWDZBQOSA-N 1 2 335.404 1.931 20 5 EDBDLO COCc1nnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000595064741 449852184 /nfs/dbraw/zinc/85/21/84/449852184.db2.gz AWJDWDXXDATKSY-CYBMUJFWSA-N 1 2 331.376 1.970 20 5 EDBDLO CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000601481617 450003283 /nfs/dbraw/zinc/00/32/83/450003283.db2.gz HOKJGYZPXHVZPS-GFCCVEGCSA-N 1 2 333.323 1.586 20 5 EDBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595299640 450011761 /nfs/dbraw/zinc/01/17/61/450011761.db2.gz WVNNWZSLKFRJCW-CYBMUJFWSA-N 1 2 345.396 1.638 20 5 EDBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595299640 450011764 /nfs/dbraw/zinc/01/17/64/450011764.db2.gz WVNNWZSLKFRJCW-CYBMUJFWSA-N 1 2 345.396 1.638 20 5 EDBDLO C[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609560852 450050933 /nfs/dbraw/zinc/05/09/33/450050933.db2.gz KPPRVMIFVAGLDF-LBPRGKRZSA-N 1 2 343.387 1.700 20 5 EDBDLO C[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609560852 450050940 /nfs/dbraw/zinc/05/09/40/450050940.db2.gz KPPRVMIFVAGLDF-LBPRGKRZSA-N 1 2 343.387 1.700 20 5 EDBDLO CCOC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618702 450108556 /nfs/dbraw/zinc/10/85/56/450108556.db2.gz LWXDOWSIFPTEHJ-ZBFHGGJFSA-N 1 2 340.376 1.072 20 5 EDBDLO CCOC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618702 450108561 /nfs/dbraw/zinc/10/85/61/450108561.db2.gz LWXDOWSIFPTEHJ-ZBFHGGJFSA-N 1 2 340.376 1.072 20 5 EDBDLO COC(=O)C[C@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccncc1 ZINC000595481722 450172995 /nfs/dbraw/zinc/17/29/95/450172995.db2.gz AEZSJORXKXZLMB-HNNXBMFYSA-N 1 2 334.332 1.854 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000601740884 450205868 /nfs/dbraw/zinc/20/58/68/450205868.db2.gz TWDAZEVECKUFBA-LBPRGKRZSA-N 1 2 332.360 1.479 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000601740884 450205874 /nfs/dbraw/zinc/20/58/74/450205874.db2.gz TWDAZEVECKUFBA-LBPRGKRZSA-N 1 2 332.360 1.479 20 5 EDBDLO COc1c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000597707839 450211903 /nfs/dbraw/zinc/21/19/03/450211903.db2.gz TVKPIOSEQCBVDF-ZDUSSCGKSA-N 1 2 349.387 1.540 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710900 450213692 /nfs/dbraw/zinc/21/36/92/450213692.db2.gz YDAZQQSANAVTEC-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000610476633 450233719 /nfs/dbraw/zinc/23/37/19/450233719.db2.gz CPMHAWFKBWJPHR-UHFFFAOYSA-N 1 2 332.335 1.869 20 5 EDBDLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000610476633 450233724 /nfs/dbraw/zinc/23/37/24/450233724.db2.gz CPMHAWFKBWJPHR-UHFFFAOYSA-N 1 2 332.335 1.869 20 5 EDBDLO COc1cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])cc1F ZINC000184227013 533828237 /nfs/dbraw/zinc/82/82/37/533828237.db2.gz VGVKETMUUJBQKC-UHFFFAOYSA-N 1 2 348.334 1.395 20 5 EDBDLO COc1cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])cc1F ZINC000184227013 533828242 /nfs/dbraw/zinc/82/82/42/533828242.db2.gz VGVKETMUUJBQKC-UHFFFAOYSA-N 1 2 348.334 1.395 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc[nH+]cc1C ZINC000345576659 535809279 /nfs/dbraw/zinc/80/92/79/535809279.db2.gz QUESXUNKVXVXGC-LLVKDONJSA-N 1 2 332.364 1.591 20 5 EDBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741146217 579399091 /nfs/dbraw/zinc/39/90/91/579399091.db2.gz DPERLVXJIOUDTE-SMDDNHRTSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741146217 579399093 /nfs/dbraw/zinc/39/90/93/579399093.db2.gz DPERLVXJIOUDTE-SMDDNHRTSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cnn(C)c1 ZINC000742392218 579450662 /nfs/dbraw/zinc/45/06/62/579450662.db2.gz NRISBITWMZAOML-IINYFYTJSA-N 1 2 345.359 1.318 20 5 EDBDLO COC(=O)C[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000760326133 580028100 /nfs/dbraw/zinc/02/81/00/580028100.db2.gz ABDYKSKZNGDCBB-SNVBAGLBSA-N 1 2 333.300 1.889 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)S1 ZINC000744607215 579517359 /nfs/dbraw/zinc/51/73/59/579517359.db2.gz WAPSJTKBAPBIQM-JTQLQIEISA-N 1 2 337.405 1.182 20 5 EDBDLO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000749253774 579719381 /nfs/dbraw/zinc/71/93/81/579719381.db2.gz LULOYDITLQMARV-ZDUSSCGKSA-N 1 2 348.403 1.422 20 5 EDBDLO Cc1n[nH]c(C(=O)NCc2ccc[nH+]c2N2CCCCC2)c1[N+](=O)[O-] ZINC000749942114 579744560 /nfs/dbraw/zinc/74/45/60/579744560.db2.gz UFKQQNGOLYEONO-UHFFFAOYSA-N 1 2 344.375 1.942 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000757764710 579971046 /nfs/dbraw/zinc/97/10/46/579971046.db2.gz RKUDRRQCCYJYGP-JOCHJYFZSA-N 1 2 325.434 1.399 20 5 EDBDLO CCc1n[nH]c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000767684960 580196885 /nfs/dbraw/zinc/19/68/85/580196885.db2.gz RFRRNNHYDNYMAF-LLVKDONJSA-N 1 2 334.380 1.922 20 5 EDBDLO Cc1c(C(=O)OCCn2cc[nH+]c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000771966355 580299722 /nfs/dbraw/zinc/29/97/22/580299722.db2.gz AWVCCBDTBNGGFM-UHFFFAOYSA-N 1 2 342.315 1.537 20 5 EDBDLO O=C1NCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000776590132 580422843 /nfs/dbraw/zinc/42/28/43/580422843.db2.gz CIODKANEKLEPNH-IRXDYDNUSA-N 1 2 341.367 1.801 20 5 EDBDLO O=C1NCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000776590132 580422844 /nfs/dbraw/zinc/42/28/44/580422844.db2.gz CIODKANEKLEPNH-IRXDYDNUSA-N 1 2 341.367 1.801 20 5 EDBDLO CC[S@](=O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780763809 580533376 /nfs/dbraw/zinc/53/33/76/580533376.db2.gz DBLCJVFTEKYFLG-PSLXWICFSA-N 1 2 336.417 1.776 20 5 EDBDLO Cn1c[nH+]cc1COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781805324 580557381 /nfs/dbraw/zinc/55/73/81/580557381.db2.gz GDUBTMRPCJVJBP-UHFFFAOYSA-N 1 2 334.288 1.913 20 5 EDBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1C ZINC000782170403 580568362 /nfs/dbraw/zinc/56/83/62/580568362.db2.gz SCEYUSUXJPVOCC-UHFFFAOYSA-N 1 2 331.332 1.522 20 5 EDBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000783423533 580599811 /nfs/dbraw/zinc/59/98/11/580599811.db2.gz QOUWHUABRGLTRN-UHFFFAOYSA-N 1 2 333.300 1.810 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804809196 590776630 /nfs/dbraw/zinc/77/66/30/590776630.db2.gz RGNCMOBVVGYQNV-VXGBXAGGSA-N 1 2 336.348 1.802 20 5 EDBDLO C[N@@H+]1C[C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941955 591144889 /nfs/dbraw/zinc/14/48/89/591144889.db2.gz XRTRIALCGVJWAP-WCBMZHEXSA-N 1 2 331.419 1.200 20 5 EDBDLO C[N@H+]1C[C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941955 591144891 /nfs/dbraw/zinc/14/48/91/591144891.db2.gz XRTRIALCGVJWAP-WCBMZHEXSA-N 1 2 331.419 1.200 20 5 EDBDLO O=C1C[C@H](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CN1 ZINC000896135595 591358782 /nfs/dbraw/zinc/35/87/82/591358782.db2.gz YAWCUECGVCICFA-ZDUSSCGKSA-N 1 2 348.403 1.365 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896534382 591495150 /nfs/dbraw/zinc/49/51/50/591495150.db2.gz UMHLHIOSKJSMMN-ZTODGRRHSA-N 1 2 346.431 1.749 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896534382 591495151 /nfs/dbraw/zinc/49/51/51/591495151.db2.gz UMHLHIOSKJSMMN-ZTODGRRHSA-N 1 2 346.431 1.749 20 5 EDBDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000902671715 592040308 /nfs/dbraw/zinc/04/03/08/592040308.db2.gz NVWPUUCPONPCJD-QHCPKHFHSA-N 1 2 344.441 1.035 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910784641 592891734 /nfs/dbraw/zinc/89/17/34/592891734.db2.gz FVTFAILIBFINTO-UHFFFAOYSA-N 1 2 341.371 1.727 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910784641 592891735 /nfs/dbraw/zinc/89/17/35/592891735.db2.gz FVTFAILIBFINTO-UHFFFAOYSA-N 1 2 341.371 1.727 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910784641 592891736 /nfs/dbraw/zinc/89/17/36/592891736.db2.gz FVTFAILIBFINTO-UHFFFAOYSA-N 1 2 341.371 1.727 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910784641 592891737 /nfs/dbraw/zinc/89/17/37/592891737.db2.gz FVTFAILIBFINTO-UHFFFAOYSA-N 1 2 341.371 1.727 20 5 EDBDLO CC[S@@](=O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000735075158 592974476 /nfs/dbraw/zinc/97/44/76/592974476.db2.gz CUCWMOZMLPCBTB-HSZRJFAPSA-N 1 2 334.401 1.963 20 5 EDBDLO CN(CCCn1cc[nH+]c1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635414 593184015 /nfs/dbraw/zinc/18/40/15/593184015.db2.gz VPGJZDTUFAJFPA-UHFFFAOYSA-N 1 2 331.332 1.679 20 5 EDBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000802237342 593237772 /nfs/dbraw/zinc/23/77/72/593237772.db2.gz DAUAPBWKITZMIH-SECBINFHSA-N 1 2 326.280 1.524 20 5 EDBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000802237342 593237773 /nfs/dbraw/zinc/23/77/73/593237773.db2.gz DAUAPBWKITZMIH-SECBINFHSA-N 1 2 326.280 1.524 20 5 EDBDLO CC1(C)C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]2COC[C@@H]21 ZINC000840149927 593296900 /nfs/dbraw/zinc/29/69/00/593296900.db2.gz NFZWHDSYHMUURO-CMPLNLGQSA-N 1 2 333.344 1.817 20 5 EDBDLO CC1(C)C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]2COC[C@@H]21 ZINC000840149927 593296901 /nfs/dbraw/zinc/29/69/01/593296901.db2.gz NFZWHDSYHMUURO-CMPLNLGQSA-N 1 2 333.344 1.817 20 5 EDBDLO C[N@H+](CCn1cccn1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839995363 593307902 /nfs/dbraw/zinc/30/79/02/593307902.db2.gz HUFJRLUAPLPECZ-INIZCTEOSA-N 1 2 345.359 1.318 20 5 EDBDLO C[N@@H+](CCn1cccn1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839995363 593307905 /nfs/dbraw/zinc/30/79/05/593307905.db2.gz HUFJRLUAPLPECZ-INIZCTEOSA-N 1 2 345.359 1.318 20 5 EDBDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000839688756 593363971 /nfs/dbraw/zinc/36/39/71/593363971.db2.gz VWIRRTIKYVKDGP-CZPYZCIJSA-N 1 2 333.388 1.900 20 5 EDBDLO Nc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000804646083 593429554 /nfs/dbraw/zinc/42/95/54/593429554.db2.gz NBSQSOYZBMWCFE-HNNXBMFYSA-N 1 2 347.375 1.342 20 5 EDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823012550 594136752 /nfs/dbraw/zinc/13/67/52/594136752.db2.gz CWBUFQHTDJXIOQ-UHFFFAOYSA-N 1 2 347.350 1.344 20 5 EDBDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000842961433 595243764 /nfs/dbraw/zinc/24/37/64/595243764.db2.gz BVAPCNYQHBKNKF-IUODEOHRSA-N 1 2 338.360 1.487 20 5 EDBDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000842961433 595243766 /nfs/dbraw/zinc/24/37/66/595243766.db2.gz BVAPCNYQHBKNKF-IUODEOHRSA-N 1 2 338.360 1.487 20 5 EDBDLO CC[C@H](C)NC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194477 595493106 /nfs/dbraw/zinc/49/31/06/595493106.db2.gz OPMPLKKPLPHPRG-NSHDSACASA-N 1 2 346.343 1.852 20 5 EDBDLO CCN1CC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000849766842 595650612 /nfs/dbraw/zinc/65/06/12/595650612.db2.gz SYGUBPLRLAQTKH-AWEZNQCLSA-N 1 2 344.327 1.558 20 5 EDBDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000855409705 595699263 /nfs/dbraw/zinc/69/92/63/595699263.db2.gz GNEWOOANQDNWLB-RYUDHWBXSA-N 1 2 336.392 1.324 20 5 EDBDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000855409705 595699267 /nfs/dbraw/zinc/69/92/67/595699267.db2.gz GNEWOOANQDNWLB-RYUDHWBXSA-N 1 2 336.392 1.324 20 5 EDBDLO O=[N+]([O-])c1ccc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)cn1 ZINC000856530581 596012071 /nfs/dbraw/zinc/01/20/71/596012071.db2.gz LQOHKQFABKKNLU-UONOGXRCSA-N 1 2 327.344 1.345 20 5 EDBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ncns3)CC2)c1 ZINC000852127601 596053126 /nfs/dbraw/zinc/05/31/26/596053126.db2.gz VRJYWFGBTAHGNV-CYBMUJFWSA-N 1 2 335.389 1.302 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435187 596160545 /nfs/dbraw/zinc/16/05/45/596160545.db2.gz JOYSQKQIEBKEDH-LBPRGKRZSA-N 1 2 348.359 1.368 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435187 596160547 /nfs/dbraw/zinc/16/05/47/596160547.db2.gz JOYSQKQIEBKEDH-LBPRGKRZSA-N 1 2 348.359 1.368 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000124012579 596862066 /nfs/dbraw/zinc/86/20/66/596862066.db2.gz LRMXTNKFSPKCOH-SNVBAGLBSA-N 1 2 328.394 1.080 20 5 EDBDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001060480158 695448229 /nfs/dbraw/zinc/44/82/29/695448229.db2.gz XZMFIRAJKJQDCZ-ATCWAGBWSA-N 1 2 345.334 1.251 20 5 EDBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1n[nH]cc1F ZINC001031955346 701561180 /nfs/dbraw/zinc/56/11/80/701561180.db2.gz WYJKNENYKQXYHS-UHFFFAOYSA-N 1 2 333.323 1.319 20 5 EDBDLO O=C(NC1CC[NH+](Cc2ccc(F)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002784225 709390589 /nfs/dbraw/zinc/39/05/89/709390589.db2.gz ZTGOPJHEIGXQHI-UKRRQHHQSA-N 1 2 339.342 1.711 20 5 EDBDLO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000054245436 214226141 /nfs/dbraw/zinc/22/61/41/214226141.db2.gz RJQCYBLUNVDJQO-HNNXBMFYSA-N 1 2 339.367 1.821 20 5 EDBDLO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000179508502 233113656 /nfs/dbraw/zinc/11/36/56/233113656.db2.gz GPZCFOWYAWSNRU-GFCCVEGCSA-N 1 2 349.387 1.531 20 5 EDBDLO COc1cccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000562499376 306300589 /nfs/dbraw/zinc/30/05/89/306300589.db2.gz TWNMCENFUMOAQA-LBPRGKRZSA-N 1 2 337.376 1.396 20 5 EDBDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000562525932 306301241 /nfs/dbraw/zinc/30/12/41/306301241.db2.gz UMYRATAKMWUSNN-UHFFFAOYSA-N 1 2 336.373 1.881 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068197137 138192704 /nfs/dbraw/zinc/19/27/04/138192704.db2.gz PCAHWKSEGDYUGU-UHFFFAOYSA-N 1 2 345.359 1.262 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000270045934 535323055 /nfs/dbraw/zinc/32/30/55/535323055.db2.gz GBGMYHPGBSSQGJ-LLVKDONJSA-N 1 2 344.375 1.845 20 5 EDBDLO Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000130523739 138341819 /nfs/dbraw/zinc/34/18/19/138341819.db2.gz VULNYARRWHWMTN-LLVKDONJSA-N 1 2 333.348 1.786 20 5 EDBDLO Cc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000130523739 138341820 /nfs/dbraw/zinc/34/18/20/138341820.db2.gz VULNYARRWHWMTN-LLVKDONJSA-N 1 2 333.348 1.786 20 5 EDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000189731385 237193652 /nfs/dbraw/zinc/19/36/52/237193652.db2.gz GNAISCADXOPBBJ-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333478 201157419 /nfs/dbraw/zinc/15/74/19/201157419.db2.gz OSAGVNJFMSVYST-JTQLQIEISA-N 1 2 333.435 1.667 20 5 EDBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333478 201157422 /nfs/dbraw/zinc/15/74/22/201157422.db2.gz OSAGVNJFMSVYST-JTQLQIEISA-N 1 2 333.435 1.667 20 5 EDBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000071113278 203085899 /nfs/dbraw/zinc/08/58/99/203085899.db2.gz XIJMIUIVYCKKDF-AWEZNQCLSA-N 1 2 328.390 1.230 20 5 EDBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000071113278 203085903 /nfs/dbraw/zinc/08/59/03/203085903.db2.gz XIJMIUIVYCKKDF-AWEZNQCLSA-N 1 2 328.390 1.230 20 5 EDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000104597745 204112383 /nfs/dbraw/zinc/11/23/83/204112383.db2.gz MFMREXOJJOVPTH-MNOVXSKESA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126659963 205066257 /nfs/dbraw/zinc/06/62/57/205066257.db2.gz DAXJXRLFYJCLOC-GTUYJWLHSA-N 1 2 347.824 1.886 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126659963 205066260 /nfs/dbraw/zinc/06/62/60/205066260.db2.gz DAXJXRLFYJCLOC-GTUYJWLHSA-N 1 2 347.824 1.886 20 5 EDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](Cc2ccccn2)CC1 ZINC000158604088 206201381 /nfs/dbraw/zinc/20/13/81/206201381.db2.gz SVZKBOWRXPMAOH-UHFFFAOYSA-N 1 2 342.359 1.735 20 5 EDBDLO O=C([C@@H]1CCCO1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000160973274 206321089 /nfs/dbraw/zinc/32/10/89/206321089.db2.gz CJYLIMPNICIKQQ-ZVVFDCPKSA-N 1 2 345.399 1.931 20 5 EDBDLO O=C(c1ccc(F)cc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174816371 207062796 /nfs/dbraw/zinc/06/27/96/207062796.db2.gz WOLKGJYXEFQVAJ-UHFFFAOYSA-N 1 2 347.350 1.388 20 5 EDBDLO Cn1c[nH+]c(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000416537896 251074598 /nfs/dbraw/zinc/07/45/98/251074598.db2.gz VLKUTWZDXGYTHY-UHFFFAOYSA-N 1 2 338.389 1.033 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000175314900 207115886 /nfs/dbraw/zinc/11/58/86/207115886.db2.gz AISXBHVVMNCVMN-UHFFFAOYSA-N 1 2 335.341 1.750 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339077072 291821994 /nfs/dbraw/zinc/82/19/94/291821994.db2.gz ZAZIFBJOCUHIGF-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495250870 255275562 /nfs/dbraw/zinc/27/55/62/255275562.db2.gz JHZUKYOGQTUHNP-UHFFFAOYSA-N 1 2 348.359 1.416 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 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ZINC000493746045 447383890 /nfs/dbraw/zinc/38/38/90/447383890.db2.gz MYCRGUWFMBMBJA-SNAWJCMRSA-N 1 2 331.372 1.589 20 5 EDBDLO COc1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000426184131 447397503 /nfs/dbraw/zinc/39/75/03/447397503.db2.gz QLXUTYYLJQSXBR-ZDUSSCGKSA-N 1 2 349.387 1.540 20 5 EDBDLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012810005 441144305 /nfs/dbraw/zinc/14/43/05/441144305.db2.gz ODHPYHCMEQNYLP-KRWDZBQOSA-N 1 2 340.383 1.943 20 5 EDBDLO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCOCC1 ZINC000087035895 441477303 /nfs/dbraw/zinc/47/73/03/441477303.db2.gz GUYALVONJWRYIZ-CYBMUJFWSA-N 1 2 348.403 1.383 20 5 EDBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1 ZINC000052433782 441451685 /nfs/dbraw/zinc/45/16/85/441451685.db2.gz OFYJNFUTWMPOLW-UHFFFAOYSA-N 1 2 346.366 1.758 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000053511016 441527511 /nfs/dbraw/zinc/52/75/11/441527511.db2.gz ZPUKUFPUFSNTNH-UHFFFAOYSA-N 1 2 344.375 1.493 20 5 EDBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000112703968 441554528 /nfs/dbraw/zinc/55/45/28/441554528.db2.gz BMVHHHMTYHCHTN-LBPRGKRZSA-N 1 2 330.406 1.729 20 5 EDBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000112703968 441554531 /nfs/dbraw/zinc/55/45/31/441554531.db2.gz BMVHHHMTYHCHTN-LBPRGKRZSA-N 1 2 330.406 1.729 20 5 EDBDLO O=C([C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000066892414 441578967 /nfs/dbraw/zinc/57/89/67/441578967.db2.gz GFBHMBHZEYPSRL-INIZCTEOSA-N 1 2 333.388 1.808 20 5 EDBDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000066892414 441578972 /nfs/dbraw/zinc/57/89/72/441578972.db2.gz GFBHMBHZEYPSRL-INIZCTEOSA-N 1 2 333.388 1.808 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067132446 441608571 /nfs/dbraw/zinc/60/85/71/441608571.db2.gz NWLJVIPNXHFEOO-UHFFFAOYSA-N 1 2 340.343 1.786 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000043269697 441827070 /nfs/dbraw/zinc/82/70/70/441827070.db2.gz PQIMVAFZNOZYSK-OAHLLOKOSA-N 1 2 340.343 1.431 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069078434 441886373 /nfs/dbraw/zinc/88/63/73/441886373.db2.gz CEOWGCNEOKUMMB-GFCCVEGCSA-N 1 2 333.348 1.558 20 5 EDBDLO Cc1cccn2cc(CCNC(=O)c3c([N+](=O)[O-])cnn3C)[nH+]c12 ZINC000125564227 442030180 /nfs/dbraw/zinc/03/01/80/442030180.db2.gz LNLPQFKVSUZKSK-UHFFFAOYSA-N 1 2 328.332 1.257 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000121029955 442167859 /nfs/dbraw/zinc/16/78/59/442167859.db2.gz XJXDWVTWMBGMFZ-KRWDZBQOSA-N 1 2 347.415 1.851 20 5 EDBDLO CC1(C)NC(=O)N(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153035921 442257957 /nfs/dbraw/zinc/25/79/57/442257957.db2.gz OWIROEKZLGYSIJ-UHFFFAOYSA-N 1 2 332.360 1.283 20 5 EDBDLO CC1(C)NC(=O)N(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153035921 442257959 /nfs/dbraw/zinc/25/79/59/442257959.db2.gz OWIROEKZLGYSIJ-UHFFFAOYSA-N 1 2 332.360 1.283 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCS(=O)CC1 ZINC000171700113 442371238 /nfs/dbraw/zinc/37/12/38/442371238.db2.gz GJAYVOSFSAUFOX-UHFFFAOYSA-N 1 2 325.390 1.296 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000191854599 442524519 /nfs/dbraw/zinc/52/45/19/442524519.db2.gz QUVHOPXTNQGKPZ-UHFFFAOYSA-N 1 2 338.389 1.777 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186794112 442613825 /nfs/dbraw/zinc/61/38/25/442613825.db2.gz AZEMSJRTURPXOS-MJVIPROJSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186794112 442613829 /nfs/dbraw/zinc/61/38/29/442613829.db2.gz AZEMSJRTURPXOS-MJVIPROJSA-N 1 2 337.376 1.633 20 5 EDBDLO Cc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000173200238 442622753 /nfs/dbraw/zinc/62/27/53/442622753.db2.gz ICRAUQNBOQNIEW-HNNXBMFYSA-N 1 2 343.387 1.874 20 5 EDBDLO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000173200238 442622754 /nfs/dbraw/zinc/62/27/54/442622754.db2.gz ICRAUQNBOQNIEW-HNNXBMFYSA-N 1 2 343.387 1.874 20 5 EDBDLO CC(C)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000188062080 442706514 /nfs/dbraw/zinc/70/65/14/442706514.db2.gz DSDRGXVMNSPCRA-AWEZNQCLSA-N 1 2 332.404 1.448 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188726357 442797709 /nfs/dbraw/zinc/79/77/09/442797709.db2.gz RVXWODHOIWMFCT-KRWDZBQOSA-N 1 2 347.415 1.897 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188726357 442797714 /nfs/dbraw/zinc/79/77/14/442797714.db2.gz RVXWODHOIWMFCT-KRWDZBQOSA-N 1 2 347.415 1.897 20 5 EDBDLO CN(CC1(CO)CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189124860 442882048 /nfs/dbraw/zinc/88/20/48/442882048.db2.gz PSTITUNLPRQOCC-UHFFFAOYSA-N 1 2 330.344 1.625 20 5 EDBDLO NS(=O)(=O)c1cccc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000183952384 442977590 /nfs/dbraw/zinc/97/75/90/442977590.db2.gz ISKALXANOYBSHI-UHFFFAOYSA-N 1 2 347.356 1.502 20 5 EDBDLO CCOc1cccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000184132910 442995052 /nfs/dbraw/zinc/99/50/52/442995052.db2.gz NHIYCHCVQUJCQC-CYBMUJFWSA-N 1 2 339.392 1.123 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296176202 318671476 /nfs/dbraw/zinc/67/14/76/318671476.db2.gz GHEOMDQSNLLVLL-OLZOCXBDSA-N 1 2 336.392 1.676 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000198224257 443037632 /nfs/dbraw/zinc/03/76/32/443037632.db2.gz UIJQYGZGSLFUMY-UHFFFAOYSA-N 1 2 325.365 1.437 20 5 EDBDLO CCOC(=O)CN(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269100447 443197564 /nfs/dbraw/zinc/19/75/64/443197564.db2.gz RPJVHHPCRYDHDB-UHFFFAOYSA-N 1 2 349.387 1.581 20 5 EDBDLO CCOC(=O)CN(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269100447 443197567 /nfs/dbraw/zinc/19/75/67/443197567.db2.gz RPJVHHPCRYDHDB-UHFFFAOYSA-N 1 2 349.387 1.581 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000351225704 319097632 /nfs/dbraw/zinc/09/76/32/319097632.db2.gz ZWANKCLPXBUPLD-JTQLQIEISA-N 1 2 334.336 1.466 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000351225704 319097633 /nfs/dbraw/zinc/09/76/33/319097633.db2.gz ZWANKCLPXBUPLD-JTQLQIEISA-N 1 2 334.336 1.466 20 5 EDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](C)[NH+]1CCOCC1 ZINC000279521074 443599956 /nfs/dbraw/zinc/59/99/56/443599956.db2.gz VDGMAFDSSIDCQR-ZJUUUORDSA-N 1 2 340.355 1.155 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000276180630 443663008 /nfs/dbraw/zinc/66/30/08/443663008.db2.gz BTBFOFGDVSACBN-CQSZACIVSA-N 1 2 349.387 1.483 20 5 EDBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000276180630 443663010 /nfs/dbraw/zinc/66/30/10/443663010.db2.gz BTBFOFGDVSACBN-CQSZACIVSA-N 1 2 349.387 1.483 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283569924 443663242 /nfs/dbraw/zinc/66/32/42/443663242.db2.gz OJVHFHWWCDDGBY-LBPRGKRZSA-N 1 2 345.396 1.638 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283569924 443663246 /nfs/dbraw/zinc/66/32/46/443663246.db2.gz OJVHFHWWCDDGBY-LBPRGKRZSA-N 1 2 345.396 1.638 20 5 EDBDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000449746530 320204027 /nfs/dbraw/zinc/20/40/27/320204027.db2.gz SHROBQUPCVNXQE-ZDUSSCGKSA-N 1 2 336.392 1.839 20 5 EDBDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000449746530 320204029 /nfs/dbraw/zinc/20/40/29/320204029.db2.gz SHROBQUPCVNXQE-ZDUSSCGKSA-N 1 2 336.392 1.839 20 5 EDBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000457142009 320320776 /nfs/dbraw/zinc/32/07/76/320320776.db2.gz YWKWXDKSFBYEGT-GFCCVEGCSA-N 1 2 339.417 1.212 20 5 EDBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000457142009 320320777 /nfs/dbraw/zinc/32/07/77/320320777.db2.gz YWKWXDKSFBYEGT-GFCCVEGCSA-N 1 2 339.417 1.212 20 5 EDBDLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459833230 320350354 /nfs/dbraw/zinc/35/03/54/320350354.db2.gz UTBGQKSBDNRQPD-JIMOISOXSA-N 1 2 334.332 1.709 20 5 EDBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489407772 320359924 /nfs/dbraw/zinc/35/99/24/320359924.db2.gz UUQDUNMZSBAONI-GXTWGEPZSA-N 1 2 337.376 1.659 20 5 EDBDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489407772 320359925 /nfs/dbraw/zinc/35/99/25/320359925.db2.gz UUQDUNMZSBAONI-GXTWGEPZSA-N 1 2 337.376 1.659 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280387034 443709951 /nfs/dbraw/zinc/70/99/51/443709951.db2.gz ZYIMWNULYJLVJU-UHFFFAOYSA-N 1 2 341.389 1.144 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280387034 443709954 /nfs/dbraw/zinc/70/99/54/443709954.db2.gz ZYIMWNULYJLVJU-UHFFFAOYSA-N 1 2 341.389 1.144 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000283862226 443746049 /nfs/dbraw/zinc/74/60/49/443746049.db2.gz BQVGRDMYUSTAMU-JKSUJKDBSA-N 1 2 333.388 1.459 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000283862226 443746053 /nfs/dbraw/zinc/74/60/53/443746053.db2.gz BQVGRDMYUSTAMU-JKSUJKDBSA-N 1 2 333.388 1.459 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000276473025 443717904 /nfs/dbraw/zinc/71/79/04/443717904.db2.gz ZEOCUOGRTHKLNN-CYBMUJFWSA-N 1 2 335.408 1.579 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000276473025 443717908 /nfs/dbraw/zinc/71/79/08/443717908.db2.gz ZEOCUOGRTHKLNN-CYBMUJFWSA-N 1 2 335.408 1.579 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000276673297 443787552 /nfs/dbraw/zinc/78/75/52/443787552.db2.gz NIKCEAOBEHSZNH-HNNXBMFYSA-N 1 2 343.387 1.386 20 5 EDBDLO 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Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@](O)(CO)C2)cccc1[N+](=O)[O-] ZINC000459651730 447733532 /nfs/dbraw/zinc/73/35/32/447733532.db2.gz VNUHKUWYWWQWIE-BLLLJJGKSA-N 1 2 337.376 1.049 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@](O)(CO)C2)cccc1[N+](=O)[O-] ZINC000459651730 447733535 /nfs/dbraw/zinc/73/35/35/447733535.db2.gz VNUHKUWYWWQWIE-BLLLJJGKSA-N 1 2 337.376 1.049 20 5 EDBDLO CN(CCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496420564 447776544 /nfs/dbraw/zinc/77/65/44/447776544.db2.gz OKYJXQYJOJIQTC-UHFFFAOYSA-N 1 2 327.385 1.938 20 5 EDBDLO CN(CCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496420564 447776548 /nfs/dbraw/zinc/77/65/48/447776548.db2.gz OKYJXQYJOJIQTC-UHFFFAOYSA-N 1 2 327.385 1.938 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000566224367 448418809 /nfs/dbraw/zinc/41/88/09/448418809.db2.gz LRLAEUMMEJCGCK-LLVKDONJSA-N 1 2 349.359 1.439 20 5 EDBDLO O=C1N=NCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000584477384 448541953 /nfs/dbraw/zinc/54/19/53/448541953.db2.gz CIXFQCXMNNPQDM-UHFFFAOYSA-N 1 2 344.331 1.870 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586760393 448802271 /nfs/dbraw/zinc/80/22/71/448802271.db2.gz UFGRDGJHTPDROS-UHFFFAOYSA-N 1 2 342.346 1.079 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000593075105 449123622 /nfs/dbraw/zinc/12/36/22/449123622.db2.gz LBOMDLYEJMBPEZ-VXGBXAGGSA-N 1 2 345.193 1.939 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000593075105 449123625 /nfs/dbraw/zinc/12/36/25/449123625.db2.gz LBOMDLYEJMBPEZ-VXGBXAGGSA-N 1 2 345.193 1.939 20 5 EDBDLO Nc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1[N+](=O)[O-] ZINC000590574463 449197484 /nfs/dbraw/zinc/19/74/84/449197484.db2.gz DHLMSYAUZNJXJM-UHFFFAOYSA-N 1 2 328.307 2.509 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597999967 449185669 /nfs/dbraw/zinc/18/56/69/449185669.db2.gz UGONFQLIBOVUIE-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597999967 449185674 /nfs/dbraw/zinc/18/56/74/449185674.db2.gz UGONFQLIBOVUIE-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604432691 449229992 /nfs/dbraw/zinc/22/99/92/449229992.db2.gz QHFVKZUCHPZLNE-UHFFFAOYSA-N 1 2 345.388 1.660 20 5 EDBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](CC(F)(F)F)O1 ZINC000595888143 449235140 /nfs/dbraw/zinc/23/51/40/449235140.db2.gz CMRXLDAFRXTJAY-JQWIXIFHSA-N 1 2 349.309 1.798 20 5 EDBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](CC(F)(F)F)O1 ZINC000595888143 449235145 /nfs/dbraw/zinc/23/51/45/449235145.db2.gz CMRXLDAFRXTJAY-JQWIXIFHSA-N 1 2 349.309 1.798 20 5 EDBDLO O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598302967 449343643 /nfs/dbraw/zinc/34/36/43/449343643.db2.gz GGBXBTKYAAZPTI-GJZGRUSLSA-N 1 2 342.355 1.814 20 5 EDBDLO C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598461004 449406656 /nfs/dbraw/zinc/40/66/56/449406656.db2.gz ZCTGQGOGTBJNFC-LLVKDONJSA-N 1 2 345.359 1.326 20 5 EDBDLO CS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611773056 449415600 /nfs/dbraw/zinc/41/56/00/449415600.db2.gz VEXVGEGAPPFOHJ-UHFFFAOYSA-N 1 2 347.824 1.762 20 5 EDBDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611813216 449431833 /nfs/dbraw/zinc/43/18/33/449431833.db2.gz MCUHURNSSLTEIB-UHFFFAOYSA-N 1 2 331.372 1.596 20 5 EDBDLO O=C(C[N@H+]1CCOCC2(CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611813216 449431838 /nfs/dbraw/zinc/43/18/38/449431838.db2.gz MCUHURNSSLTEIB-UHFFFAOYSA-N 1 2 331.372 1.596 20 5 EDBDLO Cn1cc(C[C@H](CO)Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)cn1 ZINC000596279798 449453307 /nfs/dbraw/zinc/45/33/07/449453307.db2.gz PXICQTIQPBGYDQ-CYBMUJFWSA-N 1 2 327.344 1.892 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602371278 449547196 /nfs/dbraw/zinc/54/71/96/449547196.db2.gz KHCNUMBGBSARKT-AWEZNQCLSA-N 1 2 336.392 1.460 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602371278 449547198 /nfs/dbraw/zinc/54/71/98/449547198.db2.gz KHCNUMBGBSARKT-AWEZNQCLSA-N 1 2 336.392 1.460 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000617243808 449521710 /nfs/dbraw/zinc/52/17/10/449521710.db2.gz VTCLHVSPMHVQNI-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000617243808 449521714 /nfs/dbraw/zinc/52/17/14/449521714.db2.gz VTCLHVSPMHVQNI-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO CO[C@@](C)(CO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594511447 449559374 /nfs/dbraw/zinc/55/93/74/449559374.db2.gz NIIJSTZVYXAYLU-GOEBONIOSA-N 1 2 334.376 1.405 20 5 EDBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602448084 449594975 /nfs/dbraw/zinc/59/49/75/449594975.db2.gz RTXPDKPLCBHWMI-ZDUSSCGKSA-N 1 2 348.403 1.152 20 5 EDBDLO Cn1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602454889 449602233 /nfs/dbraw/zinc/60/22/33/449602233.db2.gz SIUKQTUMXRBQCB-AWEZNQCLSA-N 1 2 329.360 1.392 20 5 EDBDLO Cn1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602454889 449602236 /nfs/dbraw/zinc/60/22/36/449602236.db2.gz SIUKQTUMXRBQCB-AWEZNQCLSA-N 1 2 329.360 1.392 20 5 EDBDLO CN(Cc1cn(C)nc1[N+](=O)[O-])Cc1[nH+]ccn1CC(F)(F)F ZINC000602461000 449608453 /nfs/dbraw/zinc/60/84/53/449608453.db2.gz VYHMLZSNNYMWAQ-UHFFFAOYSA-N 1 2 332.286 1.719 20 5 EDBDLO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000601130679 449706463 /nfs/dbraw/zinc/70/64/63/449706463.db2.gz ASSYRRQXKDSNRH-YUMQZZPRSA-N 1 2 337.302 1.478 20 5 EDBDLO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000601130679 449706469 /nfs/dbraw/zinc/70/64/69/449706469.db2.gz ASSYRRQXKDSNRH-YUMQZZPRSA-N 1 2 337.302 1.478 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCOCC2)cc1OC(F)F ZINC000601177498 449735939 /nfs/dbraw/zinc/73/59/39/449735939.db2.gz VHBGDVGAZRCRCU-LLVKDONJSA-N 1 2 347.318 1.301 20 5 EDBDLO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183074 449783741 /nfs/dbraw/zinc/78/37/41/449783741.db2.gz FWQZQISXWSWKPM-OAHLLOKOSA-N 1 2 343.387 2.006 20 5 EDBDLO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183074 449783744 /nfs/dbraw/zinc/78/37/44/449783744.db2.gz FWQZQISXWSWKPM-OAHLLOKOSA-N 1 2 343.387 2.006 20 5 EDBDLO Cc1nn(C)c(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599184058 449784529 /nfs/dbraw/zinc/78/45/29/449784529.db2.gz XGUBBBGWVBIZCS-AWEZNQCLSA-N 1 2 346.391 1.345 20 5 EDBDLO Cc1nn(C)c(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599184058 449784534 /nfs/dbraw/zinc/78/45/34/449784534.db2.gz XGUBBBGWVBIZCS-AWEZNQCLSA-N 1 2 346.391 1.345 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599196268 449791246 /nfs/dbraw/zinc/79/12/46/449791246.db2.gz XFBCYZRJVVNKSO-HNNXBMFYSA-N 1 2 336.392 1.109 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000599196268 449791255 /nfs/dbraw/zinc/79/12/55/449791255.db2.gz XFBCYZRJVVNKSO-HNNXBMFYSA-N 1 2 336.392 1.109 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000602767852 449792331 /nfs/dbraw/zinc/79/23/31/449792331.db2.gz GVIZCONKOVZKGY-UHFFFAOYSA-N 1 2 349.435 1.824 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000601345350 449854996 /nfs/dbraw/zinc/85/49/96/449854996.db2.gz RQOKJOMVKKSDOF-UHFFFAOYSA-N 1 2 345.446 1.824 20 5 EDBDLO O=C(C1CCC1)N1CC[NH+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000609578110 450056498 /nfs/dbraw/zinc/05/64/98/450056498.db2.gz QWMHQGNPYPSJAP-UHFFFAOYSA-N 1 2 333.392 1.346 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)c1C ZINC000595382945 450097392 /nfs/dbraw/zinc/09/73/92/450097392.db2.gz MBXFRHDGTRYDNX-LLVKDONJSA-N 1 2 338.389 1.985 20 5 EDBDLO 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ZINC000866191280 596823231 /nfs/dbraw/zinc/82/32/31/596823231.db2.gz ZEWGIURTTAVKGV-OAHLLOKOSA-N 1 2 345.403 1.950 20 5 EDBDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000866191280 596823234 /nfs/dbraw/zinc/82/32/34/596823234.db2.gz ZEWGIURTTAVKGV-OAHLLOKOSA-N 1 2 345.403 1.950 20 5 EDBDLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000873788338 597390777 /nfs/dbraw/zinc/39/07/77/597390777.db2.gz FXJSPYWMTYFGOH-HUUCEWRRSA-N 1 2 341.371 1.770 20 5 EDBDLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000873788338 597390781 /nfs/dbraw/zinc/39/07/81/597390781.db2.gz FXJSPYWMTYFGOH-HUUCEWRRSA-N 1 2 341.371 1.770 20 5 EDBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC(n2cc[nH+]c2)C1 ZINC000882085111 597864540 /nfs/dbraw/zinc/86/45/40/597864540.db2.gz UOKXDKYWJUGPCN-UHFFFAOYSA-N 1 2 327.344 1.745 20 5 EDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000882766818 598049362 /nfs/dbraw/zinc/04/93/62/598049362.db2.gz RQTSZOUTWOOGMV-JTQLQIEISA-N 1 2 333.797 1.621 20 5 EDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000882766818 598049364 /nfs/dbraw/zinc/04/93/64/598049364.db2.gz RQTSZOUTWOOGMV-JTQLQIEISA-N 1 2 333.797 1.621 20 5 EDBDLO O=C(Cn1ccnc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000918343188 697155219 /nfs/dbraw/zinc/15/52/19/697155219.db2.gz LWDNBBKHDCHVHI-UHFFFAOYSA-N 1 2 335.389 1.197 20 5 EDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCCCn1cc[nH+]c1 ZINC000920097272 697396003 /nfs/dbraw/zinc/39/60/03/697396003.db2.gz NGZZWUCSNSMZPR-UHFFFAOYSA-N 1 2 342.359 1.738 20 5 EDBDLO Cc1csc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001005378087 708835748 /nfs/dbraw/zinc/83/57/48/708835748.db2.gz IKKGYMLFZDITDB-CHWSQXEVSA-N 1 2 338.433 1.540 20 5 EDBDLO Cc1c(Br)c(=O)n(CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000413004614 304049082 /nfs/dbraw/zinc/04/90/82/304049082.db2.gz XFDRMFRCRDEFOL-UHFFFAOYSA-N 1 2 341.165 1.804 20 5 EDBDLO Cc1nn(C)c(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000098097460 138297655 /nfs/dbraw/zinc/29/76/55/138297655.db2.gz SMWSMRZMQGMCBP-UHFFFAOYSA-N 1 2 328.332 1.257 20 5 EDBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCNC1=O ZINC000105613391 138301413 /nfs/dbraw/zinc/30/14/13/138301413.db2.gz DPQLERSWMQHNQU-CQSZACIVSA-N 1 2 346.387 1.084 20 5 EDBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCNC1=O ZINC000105613391 138301414 /nfs/dbraw/zinc/30/14/14/138301414.db2.gz DPQLERSWMQHNQU-CQSZACIVSA-N 1 2 346.387 1.084 20 5 EDBDLO CN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000414147138 304102959 /nfs/dbraw/zinc/10/29/59/304102959.db2.gz RBWRVHNTOZYWJQ-LBPRGKRZSA-N 1 2 329.784 1.235 20 5 EDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])o1 ZINC000057209811 201139059 /nfs/dbraw/zinc/13/90/59/201139059.db2.gz GCGLIDLERRFHIU-AWEZNQCLSA-N 1 2 341.389 1.126 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000195343796 139015140 /nfs/dbraw/zinc/01/51/40/139015140.db2.gz PUDMRRSCJJCYLL-CYBMUJFWSA-N 1 2 325.413 1.888 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000126321582 205051249 /nfs/dbraw/zinc/05/12/49/205051249.db2.gz SBKDOVJJGYRZFU-SDWAUSNYSA-N 1 2 343.405 1.241 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000126321582 205051251 /nfs/dbraw/zinc/05/12/51/205051251.db2.gz SBKDOVJJGYRZFU-SDWAUSNYSA-N 1 2 343.405 1.241 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567438564 306451471 /nfs/dbraw/zinc/45/14/71/306451471.db2.gz JBXBFGFNOWTXPB-KGLIPLIRSA-N 1 2 335.404 1.877 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155990113 206047089 /nfs/dbraw/zinc/04/70/89/206047089.db2.gz DYFHOQDZSYUCSJ-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cs1 ZINC000261715490 139219893 /nfs/dbraw/zinc/21/98/93/139219893.db2.gz KKSYWMBRWPQWCB-UHFFFAOYSA-N 1 2 348.432 1.731 20 5 EDBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000421388665 251842867 /nfs/dbraw/zinc/84/28/67/251842867.db2.gz QHJQUHPPQSZKGP-UHFFFAOYSA-N 1 2 339.373 1.598 20 5 EDBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000421388665 251842869 /nfs/dbraw/zinc/84/28/69/251842869.db2.gz QHJQUHPPQSZKGP-UHFFFAOYSA-N 1 2 339.373 1.598 20 5 EDBDLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263084102 139321502 /nfs/dbraw/zinc/32/15/02/139321502.db2.gz XSVQPCMQBXPDPI-ZDUSSCGKSA-N 1 2 340.330 1.241 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000446114331 254617980 /nfs/dbraw/zinc/61/79/80/254617980.db2.gz QYGDVGYAHLNDFA-UHFFFAOYSA-N 1 2 343.387 1.595 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459796978 255002643 /nfs/dbraw/zinc/00/26/43/255002643.db2.gz RSCYYTGSHBWMPP-JTQLQIEISA-N 1 2 333.348 1.626 20 5 EDBDLO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000490074548 255077356 /nfs/dbraw/zinc/07/73/56/255077356.db2.gz UUVAXKAKORYQRL-AWEZNQCLSA-N 1 2 348.359 1.882 20 5 EDBDLO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000490074548 255077357 /nfs/dbraw/zinc/07/73/57/255077357.db2.gz UUVAXKAKORYQRL-AWEZNQCLSA-N 1 2 348.359 1.882 20 5 EDBDLO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000490071216 255077414 /nfs/dbraw/zinc/07/74/14/255077414.db2.gz JLMRRWYQZAGFEQ-OAHLLOKOSA-N 1 2 349.387 1.221 20 5 EDBDLO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000490071216 255077415 /nfs/dbraw/zinc/07/74/15/255077415.db2.gz JLMRRWYQZAGFEQ-OAHLLOKOSA-N 1 2 349.387 1.221 20 5 EDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000492352867 255172865 /nfs/dbraw/zinc/17/28/65/255172865.db2.gz BJHGGHCTXXMWHZ-GFCCVEGCSA-N 1 2 336.373 1.226 20 5 EDBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCOCC2)CC1 ZINC000493638633 255217822 /nfs/dbraw/zinc/21/78/22/255217822.db2.gz BBTVWOLRDJBCFT-UTCJRWHESA-N 1 2 331.372 1.589 20 5 EDBDLO CC(C)(C(=O)NCCCNc1cccc[nH+]1)n1cc([N+](=O)[O-])cn1 ZINC000118724971 221174071 /nfs/dbraw/zinc/17/40/71/221174071.db2.gz CFWGWKHUDXVRLK-UHFFFAOYSA-N 1 2 332.364 1.540 20 5 EDBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000270953189 140206680 /nfs/dbraw/zinc/20/66/80/140206680.db2.gz TWVNVJAISURDEY-NOZJJQNGSA-N 1 2 327.768 1.889 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000270953189 140206682 /nfs/dbraw/zinc/20/66/82/140206682.db2.gz TWVNVJAISURDEY-NOZJJQNGSA-N 1 2 327.768 1.889 20 5 EDBDLO Cc1cc(N(C)[C@@H]2COC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286364044 140597702 /nfs/dbraw/zinc/59/77/02/140597702.db2.gz NJQRBFJSSQITPO-ZIAGYGMSSA-N 1 2 330.344 1.556 20 5 EDBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000343131165 142803814 /nfs/dbraw/zinc/80/38/14/142803814.db2.gz DCFHRHPZIHHHAK-UHFFFAOYSA-N 1 2 339.311 1.581 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1CCOCC1 ZINC000347327070 143309040 /nfs/dbraw/zinc/30/90/40/143309040.db2.gz STXSZLJMHMZAGJ-AWEZNQCLSA-N 1 2 347.375 1.565 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCSC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000347393137 143316140 /nfs/dbraw/zinc/31/61/40/143316140.db2.gz RTFZXBIONKNDIN-CQSZACIVSA-N 1 2 339.417 1.357 20 5 EDBDLO CN(C(=O)C[N@H+]1CCSC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000347393137 143316141 /nfs/dbraw/zinc/31/61/41/143316141.db2.gz RTFZXBIONKNDIN-CQSZACIVSA-N 1 2 339.417 1.357 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)COCc1ccco1)CC2 ZINC000347796696 143364349 /nfs/dbraw/zinc/36/43/49/143364349.db2.gz MTAOBQFQBZRVOW-AWEZNQCLSA-N 1 2 333.344 1.519 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)COCc1ccco1)CC2 ZINC000347796696 143364350 /nfs/dbraw/zinc/36/43/50/143364350.db2.gz MTAOBQFQBZRVOW-AWEZNQCLSA-N 1 2 333.344 1.519 20 5 EDBDLO O=C(NCCNc1cccc[nH+]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352935674 149221207 /nfs/dbraw/zinc/22/12/07/149221207.db2.gz KQJDQCZRQPXSFU-UHFFFAOYSA-N 1 2 330.300 1.560 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000369992613 155271608 /nfs/dbraw/zinc/27/16/08/155271608.db2.gz ASEAKONUNHKGFC-UHFFFAOYSA-N 1 2 349.387 1.475 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](CO)C1CC1 ZINC000357773722 151147799 /nfs/dbraw/zinc/14/77/99/151147799.db2.gz HWUMEXAGLKIEMW-OAHLLOKOSA-N 1 2 335.404 1.857 20 5 EDBDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000358172682 151295732 /nfs/dbraw/zinc/29/57/32/151295732.db2.gz TWKFWAQPSSINOE-UHFFFAOYSA-N 1 2 344.375 1.678 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360425818 152035784 /nfs/dbraw/zinc/03/57/84/152035784.db2.gz CYDHQQFEEQZJMK-SNVBAGLBSA-N 1 2 343.343 1.476 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360425818 152035788 /nfs/dbraw/zinc/03/57/88/152035788.db2.gz CYDHQQFEEQZJMK-SNVBAGLBSA-N 1 2 343.343 1.476 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367087135 154005393 /nfs/dbraw/zinc/00/53/93/154005393.db2.gz WNUNNPITPWQLBH-OAHLLOKOSA-N 1 2 330.319 1.916 20 5 EDBDLO CCc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000372457148 156399388 /nfs/dbraw/zinc/39/93/88/156399388.db2.gz IXDUUBAGBOQUOG-LLVKDONJSA-N 1 2 344.375 1.674 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000373979898 157093512 /nfs/dbraw/zinc/09/35/12/157093512.db2.gz ZXAOPPHTDPZLBU-HOCLYGCPSA-N 1 2 349.387 1.471 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000373979898 157093514 /nfs/dbraw/zinc/09/35/14/157093514.db2.gz ZXAOPPHTDPZLBU-HOCLYGCPSA-N 1 2 349.387 1.471 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000374332907 157247280 /nfs/dbraw/zinc/24/72/80/157247280.db2.gz PKZYHCACBHYPQB-LLVKDONJSA-N 1 2 329.360 1.849 20 5 EDBDLO COc1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000374349159 157256803 /nfs/dbraw/zinc/25/68/03/157256803.db2.gz AQWXPNJVJFAUAU-LBPRGKRZSA-N 1 2 330.344 1.967 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000352281483 162092196 /nfs/dbraw/zinc/09/21/96/162092196.db2.gz MPNFXFHQKDQTCI-ZDUSSCGKSA-N 1 2 336.373 1.758 20 5 EDBDLO COc1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000352526842 162232432 /nfs/dbraw/zinc/23/24/32/162232432.db2.gz SLOFVPFXWQSDIF-CYBMUJFWSA-N 1 2 340.401 1.755 20 5 EDBDLO COc1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000352526842 162232435 /nfs/dbraw/zinc/23/24/35/162232435.db2.gz SLOFVPFXWQSDIF-CYBMUJFWSA-N 1 2 340.401 1.755 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@H]2OCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366452641 162383729 /nfs/dbraw/zinc/38/37/29/162383729.db2.gz HXJDVIKBWFFXHV-GDBMZVCRSA-N 1 2 331.372 1.737 20 5 EDBDLO O=C(C[N@H+]1CCC[C@H]2OCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366452641 162383736 /nfs/dbraw/zinc/38/37/36/162383736.db2.gz HXJDVIKBWFFXHV-GDBMZVCRSA-N 1 2 331.372 1.737 20 5 EDBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053366420 287224871 /nfs/dbraw/zinc/22/48/71/287224871.db2.gz GKBYHLBUGBERQC-UHFFFAOYSA-N 1 2 336.392 1.772 20 5 EDBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053366420 287224873 /nfs/dbraw/zinc/22/48/73/287224873.db2.gz GKBYHLBUGBERQC-UHFFFAOYSA-N 1 2 336.392 1.772 20 5 EDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000065757583 287241050 /nfs/dbraw/zinc/24/10/50/287241050.db2.gz DRPWKZUEPGOVBZ-UHFFFAOYSA-N 1 2 339.377 1.766 20 5 EDBDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274440740 268139934 /nfs/dbraw/zinc/13/99/34/268139934.db2.gz BTGCZMZQCIQPEU-UHFFFAOYSA-N 1 2 348.359 1.803 20 5 EDBDLO CCCCC[N@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273377771 273035774 /nfs/dbraw/zinc/03/57/74/273035774.db2.gz SIKSKYVLGPMRFQ-UHFFFAOYSA-N 1 2 344.433 1.853 20 5 EDBDLO CCCCC[N@@H+](CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273377771 273035775 /nfs/dbraw/zinc/03/57/75/273035775.db2.gz SIKSKYVLGPMRFQ-UHFFFAOYSA-N 1 2 344.433 1.853 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000274018690 273065742 /nfs/dbraw/zinc/06/57/42/273065742.db2.gz BQYFPBHQCSRHCW-GFCCVEGCSA-N 1 2 328.390 1.483 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000274018690 273065743 /nfs/dbraw/zinc/06/57/43/273065743.db2.gz BQYFPBHQCSRHCW-GFCCVEGCSA-N 1 2 328.390 1.483 20 5 EDBDLO CO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000277743036 273221990 /nfs/dbraw/zinc/22/19/90/273221990.db2.gz HBKNLXCBMDOETP-GASCZTMLSA-N 1 2 346.343 1.266 20 5 EDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000283550352 273886982 /nfs/dbraw/zinc/88/69/82/273886982.db2.gz HVLGJHIXBPVPRN-LZCJLJQNSA-N 1 2 327.344 1.680 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284224331 274123006 /nfs/dbraw/zinc/12/30/06/274123006.db2.gz VKPBKJROBWHVNP-HUUCEWRRSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284224331 274123007 /nfs/dbraw/zinc/12/30/07/274123007.db2.gz VKPBKJROBWHVNP-HUUCEWRRSA-N 1 2 335.360 1.149 20 5 EDBDLO CCc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284247579 274132361 /nfs/dbraw/zinc/13/23/61/274132361.db2.gz WTUYIEKCBTXKNN-JKSUJKDBSA-N 1 2 333.388 1.702 20 5 EDBDLO CCc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284247579 274132363 /nfs/dbraw/zinc/13/23/63/274132363.db2.gz WTUYIEKCBTXKNN-JKSUJKDBSA-N 1 2 333.388 1.702 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284895542 274377446 /nfs/dbraw/zinc/37/74/46/274377446.db2.gz UMXVULZDIJCEJU-UHOFOFEASA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284895542 274377449 /nfs/dbraw/zinc/37/74/49/274377449.db2.gz UMXVULZDIJCEJU-UHOFOFEASA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284895542 274377451 /nfs/dbraw/zinc/37/74/51/274377451.db2.gz UMXVULZDIJCEJU-UHOFOFEASA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284895542 274377456 /nfs/dbraw/zinc/37/74/56/274377456.db2.gz UMXVULZDIJCEJU-UHOFOFEASA-N 1 2 348.403 1.327 20 5 EDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000491606793 277364797 /nfs/dbraw/zinc/36/47/97/277364797.db2.gz IXXKZFQFRMVPGS-SECBINFHSA-N 1 2 347.368 1.067 20 5 EDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000491606793 277364799 /nfs/dbraw/zinc/36/47/99/277364799.db2.gz IXXKZFQFRMVPGS-SECBINFHSA-N 1 2 347.368 1.067 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291640521 289134966 /nfs/dbraw/zinc/13/49/66/289134966.db2.gz DRLXJZAPCPPBOO-GHMZBOCLSA-N 1 2 343.330 1.871 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291640521 289134968 /nfs/dbraw/zinc/13/49/68/289134968.db2.gz DRLXJZAPCPPBOO-GHMZBOCLSA-N 1 2 343.330 1.871 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000332560260 295286073 /nfs/dbraw/zinc/28/60/73/295286073.db2.gz VVAVDHIXJMWXFP-OLZOCXBDSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000332560260 295286074 /nfs/dbraw/zinc/28/60/74/295286074.db2.gz VVAVDHIXJMWXFP-OLZOCXBDSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000342272433 295287514 /nfs/dbraw/zinc/28/75/14/295287514.db2.gz TULHEDCXZGNMBR-CHWSQXEVSA-N 1 2 349.387 1.539 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294662692 303134199 /nfs/dbraw/zinc/13/41/99/303134199.db2.gz IKFSZVAKQJPHRR-CYBMUJFWSA-N 1 2 345.359 1.045 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294662692 303134200 /nfs/dbraw/zinc/13/42/00/303134200.db2.gz IKFSZVAKQJPHRR-CYBMUJFWSA-N 1 2 345.359 1.045 20 5 EDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000295414326 303215564 /nfs/dbraw/zinc/21/55/64/303215564.db2.gz HXWPSFRRMLVZAJ-UHFFFAOYSA-N 1 2 340.361 1.298 20 5 EDBDLO Cc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000296554312 303323313 /nfs/dbraw/zinc/32/33/13/303323313.db2.gz PADWYBXCOKNWGL-UHFFFAOYSA-N 1 2 330.348 1.537 20 5 EDBDLO Cc1cc(N2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000298756411 303552388 /nfs/dbraw/zinc/55/23/88/303552388.db2.gz YMEISYYUCMNNRM-AWEZNQCLSA-N 1 2 339.417 1.212 20 5 EDBDLO O=C(C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000302864197 303738492 /nfs/dbraw/zinc/73/84/92/303738492.db2.gz SRPQDTLMJMWPRF-UHFFFAOYSA-N 1 2 336.367 1.478 20 5 EDBDLO C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000421953926 304822346 /nfs/dbraw/zinc/82/23/46/304822346.db2.gz DJMWZWJLDLOKFI-QWHCGFSZSA-N 1 2 344.371 1.871 20 5 EDBDLO CCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448803785 305302299 /nfs/dbraw/zinc/30/22/99/305302299.db2.gz FXDMCAIPSOQFDX-UHFFFAOYSA-N 1 2 332.316 1.464 20 5 EDBDLO CC(C)[C@@H](CO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451751763 305366868 /nfs/dbraw/zinc/36/68/68/305366868.db2.gz VSPNFLUWYSJZQE-CYBMUJFWSA-N 1 2 332.360 1.775 20 5 EDBDLO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452395419 305397842 /nfs/dbraw/zinc/39/78/42/305397842.db2.gz WPRILGUZKFUXRV-GFCCVEGCSA-N 1 2 347.375 1.048 20 5 EDBDLO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452395419 305397843 /nfs/dbraw/zinc/39/78/43/305397843.db2.gz WPRILGUZKFUXRV-GFCCVEGCSA-N 1 2 347.375 1.048 20 5 EDBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)NC ZINC000456995368 305479477 /nfs/dbraw/zinc/47/94/77/305479477.db2.gz HFGMYWPPZHHRQI-NSHDSACASA-N 1 2 331.332 1.035 20 5 EDBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC(=O)N1 ZINC000457197269 305484358 /nfs/dbraw/zinc/48/43/58/305484358.db2.gz BOJPXZGXZVJDIG-INIZCTEOSA-N 1 2 343.343 1.179 20 5 EDBDLO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556935469 306221423 /nfs/dbraw/zinc/22/14/23/306221423.db2.gz FXQKEYYOBBKGBL-LYRGGWFBSA-N 1 2 349.387 1.624 20 5 EDBDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000046017766 441069076 /nfs/dbraw/zinc/06/90/76/441069076.db2.gz WMMISETXQDJMMZ-UHFFFAOYSA-N 1 2 348.447 1.971 20 5 EDBDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000046017766 441069080 /nfs/dbraw/zinc/06/90/80/441069080.db2.gz WMMISETXQDJMMZ-UHFFFAOYSA-N 1 2 348.447 1.971 20 5 EDBDLO O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000046747193 441121414 /nfs/dbraw/zinc/12/14/14/441121414.db2.gz UTGQIBCGESJADO-UHFFFAOYSA-N 1 2 343.343 1.133 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000081048127 441226366 /nfs/dbraw/zinc/22/63/66/441226366.db2.gz XCNSSHUBBLSLJS-GFCCVEGCSA-N 1 2 333.266 1.193 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000081048127 441226368 /nfs/dbraw/zinc/22/63/68/441226368.db2.gz XCNSSHUBBLSLJS-GFCCVEGCSA-N 1 2 333.266 1.193 20 5 EDBDLO COC(=O)c1cc(C(=O)NCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000063707116 441346268 /nfs/dbraw/zinc/34/62/68/441346268.db2.gz YWCKPCKKHMMSRT-UHFFFAOYSA-N 1 2 344.327 1.618 20 5 EDBDLO Cc1c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000051534793 441414578 /nfs/dbraw/zinc/41/45/78/441414578.db2.gz ZMIBREBXGKYKDB-UHFFFAOYSA-N 1 2 327.406 1.371 20 5 EDBDLO Cc1c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000051534793 441414582 /nfs/dbraw/zinc/41/45/82/441414582.db2.gz ZMIBREBXGKYKDB-UHFFFAOYSA-N 1 2 327.406 1.371 20 5 EDBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606203 441514782 /nfs/dbraw/zinc/51/47/82/441514782.db2.gz FNVYQLCJXBOYDE-LRDDRELGSA-N 1 2 333.388 1.637 20 5 EDBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606203 441514785 /nfs/dbraw/zinc/51/47/85/441514785.db2.gz FNVYQLCJXBOYDE-LRDDRELGSA-N 1 2 333.388 1.637 20 5 EDBDLO CNC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000053554172 441530045 /nfs/dbraw/zinc/53/00/45/441530045.db2.gz BEJAGVKEAPBJLL-UHFFFAOYSA-N 1 2 344.371 1.870 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC4(C3)OCCO4)o2)cc1 ZINC000090563801 441635368 /nfs/dbraw/zinc/63/53/68/441635368.db2.gz QWLGOPHUINPXCI-UHFFFAOYSA-N 1 2 346.343 1.984 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC4(C3)OCCO4)o2)cc1 ZINC000090563801 441635371 /nfs/dbraw/zinc/63/53/71/441635371.db2.gz QWLGOPHUINPXCI-UHFFFAOYSA-N 1 2 346.343 1.984 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000076664863 441671958 /nfs/dbraw/zinc/67/19/58/441671958.db2.gz CXEZBTRHRMTYTQ-UHFFFAOYSA-N 1 2 347.419 1.433 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000043269698 441827872 /nfs/dbraw/zinc/82/78/72/441827872.db2.gz PQIMVAFZNOZYSK-HNNXBMFYSA-N 1 2 340.343 1.431 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000120090433 442005407 /nfs/dbraw/zinc/00/54/07/442005407.db2.gz UHRXPNDBCJBHBI-LBPRGKRZSA-N 1 2 337.376 1.636 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000120090433 442005414 /nfs/dbraw/zinc/00/54/14/442005414.db2.gz UHRXPNDBCJBHBI-LBPRGKRZSA-N 1 2 337.376 1.636 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000126352345 442102587 /nfs/dbraw/zinc/10/25/87/442102587.db2.gz PMGZLFJVFOZRGC-UHFFFAOYSA-N 1 2 345.808 1.717 20 5 EDBDLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176243081 442198881 /nfs/dbraw/zinc/19/88/81/442198881.db2.gz RCTGGVBDTSOWHC-SNVBAGLBSA-N 1 2 336.377 1.351 20 5 EDBDLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 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CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343340495 445205085 /nfs/dbraw/zinc/20/50/85/445205085.db2.gz UVAFREYVJKEGDM-CYBMUJFWSA-N 1 2 349.387 1.587 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000354693426 445343150 /nfs/dbraw/zinc/34/31/50/445343150.db2.gz YNEQFQGTQKWCOY-ZDUSSCGKSA-N 1 2 348.403 1.832 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000354693426 445343153 /nfs/dbraw/zinc/34/31/53/445343153.db2.gz YNEQFQGTQKWCOY-ZDUSSCGKSA-N 1 2 348.403 1.832 20 5 EDBDLO CCc1cc(N[C@H]2CC[S@@](=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000348728415 445354855 /nfs/dbraw/zinc/35/48/55/445354855.db2.gz KVLVSLDFEIAJHJ-RKNYENMMSA-N 1 2 346.412 1.969 20 5 EDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH2+]1 ZINC000355810110 445489867 /nfs/dbraw/zinc/48/98/67/445489867.db2.gz XEVIIXSWEPIISP-LBPRGKRZSA-N 1 2 331.332 1.113 20 5 EDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)no1 ZINC000360062844 445550475 /nfs/dbraw/zinc/55/04/75/445550475.db2.gz IMELAPGSZJCTMD-GFCCVEGCSA-N 1 2 349.395 1.511 20 5 EDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)no1 ZINC000360062844 445550481 /nfs/dbraw/zinc/55/04/81/445550481.db2.gz IMELAPGSZJCTMD-GFCCVEGCSA-N 1 2 349.395 1.511 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000349975163 445739520 /nfs/dbraw/zinc/73/95/20/445739520.db2.gz NKZSJVNTXFRBSH-UHFFFAOYSA-N 1 2 329.404 1.955 20 5 EDBDLO CCCCC[N@H+](CC(N)=O)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000356462827 445803607 /nfs/dbraw/zinc/80/36/07/445803607.db2.gz VAXMQUXMDCEBRT-UHFFFAOYSA-N 1 2 336.392 1.535 20 5 EDBDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000356462827 445803608 /nfs/dbraw/zinc/80/36/08/445803608.db2.gz VAXMQUXMDCEBRT-UHFFFAOYSA-N 1 2 336.392 1.535 20 5 EDBDLO O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1cccc([N+](=O)[O-])c1 ZINC000358992436 445878503 /nfs/dbraw/zinc/87/85/03/445878503.db2.gz CSHMJAPQUYEVMW-CYBMUJFWSA-N 1 2 329.316 1.024 20 5 EDBDLO O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1cccc([N+](=O)[O-])c1 ZINC000358992436 445878506 /nfs/dbraw/zinc/87/85/06/445878506.db2.gz CSHMJAPQUYEVMW-CYBMUJFWSA-N 1 2 329.316 1.024 20 5 EDBDLO Cc1cc(N2CCC(N(C)C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000361600795 445842741 /nfs/dbraw/zinc/84/27/41/445842741.db2.gz YQSDUSOAVKQVDS-KBPBESRZSA-N 1 2 333.392 1.186 20 5 EDBDLO C[C@@H]1CC[N@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354080650 445890885 /nfs/dbraw/zinc/89/08/85/445890885.db2.gz WFHXOAFKXWEXGO-LLVKDONJSA-N 1 2 327.406 1.529 20 5 EDBDLO C[C@@H]1CC[N@@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354080650 445890889 /nfs/dbraw/zinc/89/08/89/445890889.db2.gz WFHXOAFKXWEXGO-LLVKDONJSA-N 1 2 327.406 1.529 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000350829162 445919181 /nfs/dbraw/zinc/91/91/81/445919181.db2.gz HZDOCHOECZIEOS-ZJUUUORDSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000350829162 445919183 /nfs/dbraw/zinc/91/91/83/445919183.db2.gz HZDOCHOECZIEOS-ZJUUUORDSA-N 1 2 347.824 1.961 20 5 EDBDLO Cc1ccc([C@H](C)N2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)cc1[N+](=O)[O-] ZINC000359170820 445997090 /nfs/dbraw/zinc/99/70/90/445997090.db2.gz BKXPXMUUFMOZDP-GXFFZTMASA-N 1 2 343.343 1.850 20 5 EDBDLO Cc1ccc([C@H](C)N2C(=O)N[C@H](Cc3c[nH]c[nH+]3)C2=O)cc1[N+](=O)[O-] ZINC000359170820 445997097 /nfs/dbraw/zinc/99/70/97/445997097.db2.gz BKXPXMUUFMOZDP-GXFFZTMASA-N 1 2 343.343 1.850 20 5 EDBDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000370257139 446200386 /nfs/dbraw/zinc/20/03/86/446200386.db2.gz SFYFYXKMZXMVHJ-UHFFFAOYSA-N 1 2 340.336 1.214 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000362089513 446205456 /nfs/dbraw/zinc/20/54/56/446205456.db2.gz UMBGBADLPBDNMF-UWVGGRQHSA-N 1 2 327.768 1.747 20 5 EDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000362089513 446205462 /nfs/dbraw/zinc/20/54/62/446205462.db2.gz UMBGBADLPBDNMF-UWVGGRQHSA-N 1 2 327.768 1.747 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000366996062 446451571 /nfs/dbraw/zinc/45/15/71/446451571.db2.gz MVVZPDWAKZBSLS-ZDUSSCGKSA-N 1 2 349.387 1.540 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2c([nH+]cn2C)C1 ZINC000370819727 446459168 /nfs/dbraw/zinc/45/91/68/446459168.db2.gz MBCVBDMLICIVTH-NSHDSACASA-N 1 2 329.360 1.714 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2c([nH+]cn2C)C1 ZINC000370821489 446460733 /nfs/dbraw/zinc/46/07/33/446460733.db2.gz USFPWFNYYGPZEA-NSHDSACASA-N 1 2 329.360 1.714 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000371015426 446576124 /nfs/dbraw/zinc/57/61/24/446576124.db2.gz BMCBBZHHYSALAC-UHFFFAOYSA-N 1 2 342.402 1.674 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368191643 446697562 /nfs/dbraw/zinc/69/75/62/446697562.db2.gz UGSGYXMSNYAPKI-LLVKDONJSA-N 1 2 333.352 1.072 20 5 EDBDLO O=Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000371442678 446859714 /nfs/dbraw/zinc/85/97/14/446859714.db2.gz KMJUPSFQZSUOCA-LLVKDONJSA-N 1 2 344.327 1.183 20 5 EDBDLO O=Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000371442678 446859721 /nfs/dbraw/zinc/85/97/21/446859721.db2.gz KMJUPSFQZSUOCA-LLVKDONJSA-N 1 2 344.327 1.183 20 5 EDBDLO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000368449404 446869729 /nfs/dbraw/zinc/86/97/29/446869729.db2.gz LBEGKBUWBHPWPY-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000368449404 446869737 /nfs/dbraw/zinc/86/97/37/446869737.db2.gz LBEGKBUWBHPWPY-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000368492556 446896062 /nfs/dbraw/zinc/89/60/62/446896062.db2.gz OTENIVPRNWLNJH-NSHDSACASA-N 1 2 336.373 1.393 20 5 EDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000375641872 446945200 /nfs/dbraw/zinc/94/52/00/446945200.db2.gz LXRDPYFOVYYTKS-UHFFFAOYSA-N 1 2 330.344 1.806 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503601 447197747 /nfs/dbraw/zinc/19/77/47/447197747.db2.gz SOZJUXYTGPEZJB-CQSZACIVSA-N 1 2 344.375 1.770 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503601 447197754 /nfs/dbraw/zinc/19/77/54/447197754.db2.gz SOZJUXYTGPEZJB-CQSZACIVSA-N 1 2 344.375 1.770 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368998714 447255578 /nfs/dbraw/zinc/25/55/78/447255578.db2.gz BOQATLLMHIMJRF-JTQLQIEISA-N 1 2 335.324 1.270 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368998714 447255586 /nfs/dbraw/zinc/25/55/86/447255586.db2.gz BOQATLLMHIMJRF-JTQLQIEISA-N 1 2 335.324 1.270 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459158608 447599710 /nfs/dbraw/zinc/59/97/10/447599710.db2.gz YZVUFXNIMISEOX-UHFFFAOYSA-N 1 2 331.376 1.755 20 5 EDBDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451942004 447793896 /nfs/dbraw/zinc/79/38/96/447793896.db2.gz ABEOPYHKDQZYNV-CHWSQXEVSA-N 1 2 334.332 1.538 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487926898 447837764 /nfs/dbraw/zinc/83/77/64/447837764.db2.gz DLAUCLRQQKFMEE-ZDUSSCGKSA-N 1 2 329.360 1.648 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000591327358 448324507 /nfs/dbraw/zinc/32/45/07/448324507.db2.gz GZLCSVPYJWBAID-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000591327358 448324512 /nfs/dbraw/zinc/32/45/12/448324512.db2.gz GZLCSVPYJWBAID-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(C)(C)CO ZINC000591259215 448299810 /nfs/dbraw/zinc/29/98/10/448299810.db2.gz KSJHDQYQQATONC-LBPRGKRZSA-N 1 2 335.364 1.156 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000586824159 448819114 /nfs/dbraw/zinc/81/91/14/448819114.db2.gz BDGWUHFSCUDXKB-GFCCVEGCSA-N 1 2 335.751 1.758 20 5 EDBDLO CC(=O)NCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000568508321 448880759 /nfs/dbraw/zinc/88/07/59/448880759.db2.gz ZHYAWHPPXCTAPV-SNVBAGLBSA-N 1 2 333.348 1.774 20 5 EDBDLO CC(=O)NCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000568508321 448880766 /nfs/dbraw/zinc/88/07/66/448880766.db2.gz ZHYAWHPPXCTAPV-SNVBAGLBSA-N 1 2 333.348 1.774 20 5 EDBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000548600064 449065314 /nfs/dbraw/zinc/06/53/14/449065314.db2.gz VGFWIKHWRPVGSH-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO CSc1cccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000548600064 449065316 /nfs/dbraw/zinc/06/53/16/449065316.db2.gz VGFWIKHWRPVGSH-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000596207751 449415965 /nfs/dbraw/zinc/41/59/65/449415965.db2.gz GCHRYVZLCIIGJD-JTQLQIEISA-N 1 2 344.209 1.860 20 5 EDBDLO C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000596207751 449415971 /nfs/dbraw/zinc/41/59/71/449415971.db2.gz GCHRYVZLCIIGJD-JTQLQIEISA-N 1 2 344.209 1.860 20 5 EDBDLO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000598539997 449453857 /nfs/dbraw/zinc/45/38/57/449453857.db2.gz KXMGCNKCEFEZTP-CYBMUJFWSA-N 1 2 337.376 1.483 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606283 449489217 /nfs/dbraw/zinc/48/92/17/449489217.db2.gz GVEHVJPAHNEGFY-VXGBXAGGSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606283 449489220 /nfs/dbraw/zinc/48/92/20/449489220.db2.gz GVEHVJPAHNEGFY-VXGBXAGGSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H]1C[N@H+](CCNc2nc3sccn3c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596426863 449497355 /nfs/dbraw/zinc/49/73/55/449497355.db2.gz CHLXDLQSSGJDRZ-NXEZZACHSA-N 1 2 325.394 1.825 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596426863 449497359 /nfs/dbraw/zinc/49/73/59/449497359.db2.gz CHLXDLQSSGJDRZ-NXEZZACHSA-N 1 2 325.394 1.825 20 5 EDBDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000598950166 449667215 /nfs/dbraw/zinc/66/72/15/449667215.db2.gz PUQRKBGSTAESQR-LBPRGKRZSA-N 1 2 342.355 1.599 20 5 EDBDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000598950166 449667224 /nfs/dbraw/zinc/66/72/24/449667224.db2.gz PUQRKBGSTAESQR-LBPRGKRZSA-N 1 2 342.355 1.599 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000594769214 449681848 /nfs/dbraw/zinc/68/18/48/449681848.db2.gz DWQXPAZBKVLTAG-LBPRGKRZSA-N 1 2 340.405 1.285 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000594769214 449681854 /nfs/dbraw/zinc/68/18/54/449681854.db2.gz DWQXPAZBKVLTAG-LBPRGKRZSA-N 1 2 340.405 1.285 20 5 EDBDLO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000617722435 449776178 /nfs/dbraw/zinc/77/61/78/449776178.db2.gz XLKXUHQFLYZAQY-MJBXVCDLSA-N 1 2 335.404 1.924 20 5 EDBDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C(N)=O)C1 ZINC000614662872 449747385 /nfs/dbraw/zinc/74/73/85/449747385.db2.gz KPBKTILHEOFIEC-ZWNOBZJWSA-N 1 2 335.360 1.452 20 5 EDBDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C(N)=O)C1 ZINC000614662872 449747390 /nfs/dbraw/zinc/74/73/90/449747390.db2.gz KPBKTILHEOFIEC-ZWNOBZJWSA-N 1 2 335.360 1.452 20 5 EDBDLO CN1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](CO)C1 ZINC000602715463 449765077 /nfs/dbraw/zinc/76/50/77/449765077.db2.gz NRYVISFVOXPKHS-ZDUSSCGKSA-N 1 2 331.372 1.963 20 5 EDBDLO CN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](CO)C1 ZINC000602715463 449765079 /nfs/dbraw/zinc/76/50/79/449765079.db2.gz NRYVISFVOXPKHS-ZDUSSCGKSA-N 1 2 331.372 1.963 20 5 EDBDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602900854 449907511 /nfs/dbraw/zinc/90/75/11/449907511.db2.gz WCHRAODSWBLINY-AAEUAGOBSA-N 1 2 345.193 1.675 20 5 EDBDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602900854 449907517 /nfs/dbraw/zinc/90/75/17/449907517.db2.gz WCHRAODSWBLINY-AAEUAGOBSA-N 1 2 345.193 1.675 20 5 EDBDLO Cc1sc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000601445887 449968446 /nfs/dbraw/zinc/96/84/46/449968446.db2.gz MXWXGXOENZPXCZ-GFCCVEGCSA-N 1 2 345.446 1.679 20 5 EDBDLO CCOc1cccc(N2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000613041523 449995500 /nfs/dbraw/zinc/99/55/00/449995500.db2.gz FKSHLDXBRUHWHH-UHFFFAOYSA-N 1 2 336.392 1.204 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595522537 450205003 /nfs/dbraw/zinc/20/50/03/450205003.db2.gz LYWXIVXROPXNTP-HNNXBMFYSA-N 1 2 348.403 1.253 20 5 EDBDLO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597709343 450212501 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336.392 1.089 20 5 EDBDLO CCCN1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1=O ZINC000187867336 528244633 /nfs/dbraw/zinc/24/46/33/528244633.db2.gz AFIDJGQUDJCQMO-UHFFFAOYSA-N 1 2 336.392 1.089 20 5 EDBDLO CC1(C)NC(=O)N(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000352707963 534980450 /nfs/dbraw/zinc/98/04/50/534980450.db2.gz UIAHYKXWGPHARD-UHFFFAOYSA-N 1 2 348.359 1.120 20 5 EDBDLO CC1(C)NC(=O)N(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000352707963 534980455 /nfs/dbraw/zinc/98/04/55/534980455.db2.gz UIAHYKXWGPHARD-UHFFFAOYSA-N 1 2 348.359 1.120 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc[nH+]cc1C ZINC000345576660 535950136 /nfs/dbraw/zinc/95/01/36/535950136.db2.gz QUESXUNKVXVXGC-NSHDSACASA-N 1 2 332.364 1.591 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000249084242 536770269 /nfs/dbraw/zinc/77/02/69/536770269.db2.gz SYSMQNDXFDRURW-ZSBIGDGJSA-N 1 2 337.376 1.776 20 5 EDBDLO 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EDBDLO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302644686 444218753 /nfs/dbraw/zinc/21/87/53/444218753.db2.gz LYXVJELOULGLQA-LLVKDONJSA-N 1 2 327.406 1.895 20 5 EDBDLO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302644686 444218754 /nfs/dbraw/zinc/21/87/54/444218754.db2.gz LYXVJELOULGLQA-LLVKDONJSA-N 1 2 327.406 1.895 20 5 EDBDLO Cc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)ncc1[N+](=O)[O-] ZINC000296604173 444242473 /nfs/dbraw/zinc/24/24/73/444242473.db2.gz SXMYABQGPMDXBC-UHFFFAOYSA-N 1 2 330.348 1.537 20 5 EDBDLO CCCCOC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298074895 444406314 /nfs/dbraw/zinc/40/63/14/444406314.db2.gz LHRSETSDJTUSGJ-UHFFFAOYSA-N 1 2 336.392 1.845 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000298006866 444384851 /nfs/dbraw/zinc/38/48/51/444384851.db2.gz BSPMOTKYBUAUIR-UHFFFAOYSA-N 1 2 329.360 1.318 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338185668 444554569 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346.391 1.576 20 5 EDBDLO Cc1cc(N[C@H](C)C(=O)NCCF)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000336916244 444850761 /nfs/dbraw/zinc/85/07/61/444850761.db2.gz BWQSNKMPFRRXFZ-LLVKDONJSA-N 1 2 347.350 1.668 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000339075289 445021254 /nfs/dbraw/zinc/02/12/54/445021254.db2.gz WKVTXCIZWCYJAJ-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000337330443 445036015 /nfs/dbraw/zinc/03/60/15/445036015.db2.gz ULBCQASGGFHRHW-UHFFFAOYSA-N 1 2 343.343 1.158 20 5 EDBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000337209279 444985885 /nfs/dbraw/zinc/98/58/85/444985885.db2.gz APWNHXKUIXCDEX-KPWVOAKYSA-N 1 2 325.390 1.376 20 5 EDBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000337209279 444985889 /nfs/dbraw/zinc/98/58/89/444985889.db2.gz APWNHXKUIXCDEX-KPWVOAKYSA-N 1 2 325.390 1.376 20 5 EDBDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000339235185 445105295 /nfs/dbraw/zinc/10/52/95/445105295.db2.gz NLWCCHSZQIFLQD-CQSZACIVSA-N 1 2 345.359 1.024 20 5 EDBDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000339235185 445105300 /nfs/dbraw/zinc/10/53/00/445105300.db2.gz NLWCCHSZQIFLQD-CQSZACIVSA-N 1 2 345.359 1.024 20 5 EDBDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000344685846 445127958 /nfs/dbraw/zinc/12/79/58/445127958.db2.gz XTRFDIVGULHABV-TZMCWYRMSA-N 1 2 347.375 1.862 20 5 EDBDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000344685846 445127960 /nfs/dbraw/zinc/12/79/60/445127960.db2.gz XTRFDIVGULHABV-TZMCWYRMSA-N 1 2 347.375 1.862 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000351742920 445303599 /nfs/dbraw/zinc/30/35/99/445303599.db2.gz XPXQOUHVSOGBCW-HZPDHXFCSA-N 1 2 346.387 1.324 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000351742920 445303601 /nfs/dbraw/zinc/30/36/01/445303601.db2.gz XPXQOUHVSOGBCW-HZPDHXFCSA-N 1 2 346.387 1.324 20 5 EDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncnn1C ZINC000355814497 445491761 /nfs/dbraw/zinc/49/17/61/445491761.db2.gz QHNKWIKHWJZGEN-JTQLQIEISA-N 1 2 341.331 1.400 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355999198 445564852 /nfs/dbraw/zinc/56/48/52/445564852.db2.gz LQCMQMQJNLOBRS-UHFFFAOYSA-N 1 2 337.376 1.398 20 5 EDBDLO CC(C)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000353082989 445573822 /nfs/dbraw/zinc/57/38/22/445573822.db2.gz YOKMYVJQYTUXQR-CVEARBPZSA-N 1 2 333.388 1.873 20 5 EDBDLO CC(C)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000353082989 445573827 /nfs/dbraw/zinc/57/38/27/445573827.db2.gz YOKMYVJQYTUXQR-CVEARBPZSA-N 1 2 333.388 1.873 20 5 EDBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])n[nH]1 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ZINC000359394533 446196577 /nfs/dbraw/zinc/19/65/77/446196577.db2.gz LLFWGWLPZASQKU-UHFFFAOYSA-N 1 2 343.387 1.215 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)CCO1 ZINC000373832678 446336482 /nfs/dbraw/zinc/33/64/82/446336482.db2.gz VADHMMAUOPOGNV-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)CCO1 ZINC000373832678 446336487 /nfs/dbraw/zinc/33/64/87/446336487.db2.gz VADHMMAUOPOGNV-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO CCc1cc([N+](=O)[O-])c(N2CCC[N@H+](CC(N)=O)CC2)cc1Cl ZINC000376113392 446340650 /nfs/dbraw/zinc/34/06/50/446340650.db2.gz KDFLKYXXDNKLTH-UHFFFAOYSA-N 1 2 340.811 1.808 20 5 EDBDLO CCc1cc([N+](=O)[O-])c(N2CCC[N@@H+](CC(N)=O)CC2)cc1Cl ZINC000376113392 446340655 /nfs/dbraw/zinc/34/06/55/446340655.db2.gz KDFLKYXXDNKLTH-UHFFFAOYSA-N 1 2 340.811 1.808 20 5 EDBDLO C[N@@H+]1CCN(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374850947 446418027 /nfs/dbraw/zinc/41/80/27/446418027.db2.gz 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Cc1ccnc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000371211625 446693312 /nfs/dbraw/zinc/69/33/12/446693312.db2.gz BJDOXMDUBULUIN-INIZCTEOSA-N 1 2 336.392 1.592 20 5 EDBDLO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000411798970 446678311 /nfs/dbraw/zinc/67/83/11/446678311.db2.gz VQLKZNDOYXAXBN-SNVBAGLBSA-N 1 2 331.319 1.871 20 5 EDBDLO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000411798970 446678314 /nfs/dbraw/zinc/67/83/14/446678314.db2.gz VQLKZNDOYXAXBN-SNVBAGLBSA-N 1 2 331.319 1.871 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000375455888 446812406 /nfs/dbraw/zinc/81/24/06/446812406.db2.gz CYVNPTJFXIJHFG-UHFFFAOYSA-N 1 2 335.339 1.906 20 5 EDBDLO COC1(c2ccccc2)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000375576249 446901033 /nfs/dbraw/zinc/90/10/33/446901033.db2.gz FWJVICXSQCRJPY-HNNXBMFYSA-N 1 2 332.360 1.010 20 5 EDBDLO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000442537895 446904393 /nfs/dbraw/zinc/90/43/93/446904393.db2.gz HMJPGELCWWZHFQ-NSHDSACASA-N 1 2 331.332 1.182 20 5 EDBDLO O=C1CCC(=O)N1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413123962 447017940 /nfs/dbraw/zinc/01/79/40/447017940.db2.gz DVHVHDCPAVHDHW-UHFFFAOYSA-N 1 2 328.328 2.094 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000455164964 447068854 /nfs/dbraw/zinc/06/88/54/447068854.db2.gz KOLCTYFACVCWKG-CQSZACIVSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000455164964 447068860 /nfs/dbraw/zinc/06/88/60/447068860.db2.gz KOLCTYFACVCWKG-CQSZACIVSA-N 1 2 334.376 1.888 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC000368783431 447101462 /nfs/dbraw/zinc/10/14/62/447101462.db2.gz MBQDHKXFFJMJQA-ZDUSSCGKSA-N 1 2 341.331 1.683 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC000368783431 447101473 /nfs/dbraw/zinc/10/14/73/447101473.db2.gz MBQDHKXFFJMJQA-ZDUSSCGKSA-N 1 2 341.331 1.683 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056311 447240057 /nfs/dbraw/zinc/24/00/57/447240057.db2.gz KZQQCNDHRKYMFT-AAEUAGOBSA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056311 447240059 /nfs/dbraw/zinc/24/00/59/447240059.db2.gz KZQQCNDHRKYMFT-AAEUAGOBSA-N 1 2 335.360 1.284 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427052023 447535896 /nfs/dbraw/zinc/53/58/96/447535896.db2.gz DWOVOSJLSSUCPK-LBPRGKRZSA-N 1 2 343.343 1.169 20 5 EDBDLO CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000487100589 447827398 /nfs/dbraw/zinc/82/73/98/447827398.db2.gz OAPBJRFHBQZYKH-CYBMUJFWSA-N 1 2 341.433 1.775 20 5 EDBDLO CC(C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000487100589 447827400 /nfs/dbraw/zinc/82/74/00/447827400.db2.gz OAPBJRFHBQZYKH-CYBMUJFWSA-N 1 2 341.433 1.775 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523115835 447874437 /nfs/dbraw/zinc/87/44/37/447874437.db2.gz AEINHFKSMLAWFK-UHFFFAOYSA-N 1 2 338.327 1.543 20 5 EDBDLO Cc1cccc(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)[nH+]1 ZINC000530428888 447884711 /nfs/dbraw/zinc/88/47/11/447884711.db2.gz IPDOUJWRXAGTLT-UHFFFAOYSA-N 1 2 336.373 1.600 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000576053423 447960889 /nfs/dbraw/zinc/96/08/89/447960889.db2.gz OLHGQAXVCOHNBV-CQSZACIVSA-N 1 2 345.396 1.534 20 5 EDBDLO CN1CC2(C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)OC1=O ZINC000496845457 447963798 /nfs/dbraw/zinc/96/37/98/447963798.db2.gz IFPKLRULOZCRFR-UHFFFAOYSA-N 1 2 334.332 1.060 20 5 EDBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000497267093 448020821 /nfs/dbraw/zinc/02/08/21/448020821.db2.gz BGOLHGHOSXBWRT-NSHDSACASA-N 1 2 333.348 1.744 20 5 EDBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000497267093 448020825 /nfs/dbraw/zinc/02/08/25/448020825.db2.gz BGOLHGHOSXBWRT-NSHDSACASA-N 1 2 333.348 1.744 20 5 EDBDLO C[C@@H]1C[N@@H+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C[C@H](C)O1 ZINC000576719104 448126930 /nfs/dbraw/zinc/12/69/30/448126930.db2.gz QCAWDYQCLMWEGR-TXEJJXNPSA-N 1 2 348.359 1.521 20 5 EDBDLO C[C@@H]1C[N@H+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C[C@H](C)O1 ZINC000576719104 448126933 /nfs/dbraw/zinc/12/69/33/448126933.db2.gz QCAWDYQCLMWEGR-TXEJJXNPSA-N 1 2 348.359 1.521 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000576938755 448175727 /nfs/dbraw/zinc/17/57/27/448175727.db2.gz IQIBDNPDPVLOHA-LLVKDONJSA-N 1 2 327.406 1.482 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000576938755 448175730 /nfs/dbraw/zinc/17/57/30/448175730.db2.gz IQIBDNPDPVLOHA-LLVKDONJSA-N 1 2 327.406 1.482 20 5 EDBDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572599854 448418850 /nfs/dbraw/zinc/41/88/50/448418850.db2.gz RIHNHHVXHQNICH-UHFFFAOYSA-N 1 2 328.756 1.255 20 5 EDBDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572599854 448418854 /nfs/dbraw/zinc/41/88/54/448418854.db2.gz RIHNHHVXHQNICH-UHFFFAOYSA-N 1 2 328.756 1.255 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592201059 448739301 /nfs/dbraw/zinc/73/93/01/448739301.db2.gz UMJRFFQNJDADCW-OCCSQVGLSA-N 1 2 338.360 1.349 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592201059 448739309 /nfs/dbraw/zinc/73/93/09/448739309.db2.gz UMJRFFQNJDADCW-OCCSQVGLSA-N 1 2 338.360 1.349 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000520424823 448898173 /nfs/dbraw/zinc/89/81/73/448898173.db2.gz CJJLSYBBIDVFNL-MRXNPFEDSA-N 1 2 335.404 1.900 20 5 EDBDLO O=C1CN(c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000589107394 448969576 /nfs/dbraw/zinc/96/95/76/448969576.db2.gz SGUAUSYSKCTOPD-UHFFFAOYSA-N 1 2 348.750 1.140 20 5 EDBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c(C)nc1N ZINC000592798515 448994358 /nfs/dbraw/zinc/99/43/58/448994358.db2.gz DDBWXKDZJYGTFK-ZDUSSCGKSA-N 1 2 343.387 2.161 20 5 EDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597862327 449127289 /nfs/dbraw/zinc/12/72/89/449127289.db2.gz HMBVSFQNMNLDHC-JTQLQIEISA-N 1 2 331.332 1.095 20 5 EDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597862327 449127292 /nfs/dbraw/zinc/12/72/92/449127292.db2.gz HMBVSFQNMNLDHC-JTQLQIEISA-N 1 2 331.332 1.095 20 5 EDBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000597941428 449151447 /nfs/dbraw/zinc/15/14/47/449151447.db2.gz PMKKMZMYEBPYSB-UHFFFAOYSA-N 1 2 327.344 1.915 20 5 EDBDLO COc1c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000597992779 449176086 /nfs/dbraw/zinc/17/60/86/449176086.db2.gz CWIRBIXNEMMOPF-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000597992779 449176091 /nfs/dbraw/zinc/17/60/91/449176091.db2.gz CWIRBIXNEMMOPF-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO Nc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000590569564 449195911 /nfs/dbraw/zinc/19/59/11/449195911.db2.gz KJDJSHMMXWZHAE-GFCCVEGCSA-N 1 2 349.416 2.119 20 5 EDBDLO O=C(CN1CCn2c[nH+]cc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590599047 449211667 /nfs/dbraw/zinc/21/16/67/449211667.db2.gz FIBMURJWKJSAPU-UHFFFAOYSA-N 1 2 327.344 1.196 20 5 EDBDLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611202034 449212923 /nfs/dbraw/zinc/21/29/23/449212923.db2.gz JSCWWCXPXKDTQT-UHFFFAOYSA-N 1 2 326.316 1.742 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597995958 449181492 /nfs/dbraw/zinc/18/14/92/449181492.db2.gz HIUDSLAZFOQFDN-QWHCGFSZSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597995958 449181493 /nfs/dbraw/zinc/18/14/93/449181493.db2.gz HIUDSLAZFOQFDN-QWHCGFSZSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598000269 449187217 /nfs/dbraw/zinc/18/72/17/449187217.db2.gz YSHPWIUPXQCBOH-MCIONIFRSA-N 1 2 335.404 1.924 20 5 EDBDLO C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598000269 449187221 /nfs/dbraw/zinc/18/72/21/449187221.db2.gz YSHPWIUPXQCBOH-MCIONIFRSA-N 1 2 335.404 1.924 20 5 EDBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611289960 449251994 /nfs/dbraw/zinc/25/19/94/449251994.db2.gz IAXKYIBSHPBKQJ-UHFFFAOYSA-N 1 2 345.388 1.660 20 5 EDBDLO O=C(NC[C@@H](CO)CC1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598294064 449341915 /nfs/dbraw/zinc/34/19/15/449341915.db2.gz XCLRHPUVDGNIAI-ZDUSSCGKSA-N 1 2 344.371 1.919 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000593558693 449348848 /nfs/dbraw/zinc/34/88/48/449348848.db2.gz FOWLZFZJKWUOJM-LLVKDONJSA-N 1 2 337.361 1.629 20 5 EDBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000596111757 449366752 /nfs/dbraw/zinc/36/67/52/449366752.db2.gz CWJAXBNNBXKVLQ-AAEUAGOBSA-N 1 2 326.784 1.679 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](CCF)C1 ZINC000600487134 449405026 /nfs/dbraw/zinc/40/50/26/449405026.db2.gz AWEZQFVSXHGCML-ZDUSSCGKSA-N 1 2 348.334 1.981 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000611814648 449433056 /nfs/dbraw/zinc/43/30/56/449433056.db2.gz YYNXYKLJQMDZKU-UHFFFAOYSA-N 1 2 335.433 1.979 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000598610344 449491899 /nfs/dbraw/zinc/49/18/99/449491899.db2.gz MZHXSUJBEHYIAO-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000598610344 449491906 /nfs/dbraw/zinc/49/19/06/449491906.db2.gz MZHXSUJBEHYIAO-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO Cc1nnc(CN(C)c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])o1 ZINC000596442349 449505291 /nfs/dbraw/zinc/50/52/91/449505291.db2.gz CWJUAASDUCBKRB-UHFFFAOYSA-N 1 2 347.375 1.755 20 5 EDBDLO Cc1ccc(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[nH+]c1 ZINC000598630116 449507238 /nfs/dbraw/zinc/50/72/38/449507238.db2.gz AXOUSDSJBBWSII-UHFFFAOYSA-N 1 2 344.375 1.579 20 5 EDBDLO Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596626744 449576820 /nfs/dbraw/zinc/57/68/20/449576820.db2.gz QPMWNWFOJWVVLC-AWEZNQCLSA-N 1 2 334.376 1.842 20 5 EDBDLO COCC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000602463005 449609880 /nfs/dbraw/zinc/60/98/80/449609880.db2.gz SMOQWVPPCSKNFO-VIFPVBQESA-N 1 2 349.309 1.936 20 5 EDBDLO COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000602463005 449609885 /nfs/dbraw/zinc/60/98/85/449609885.db2.gz SMOQWVPPCSKNFO-VIFPVBQESA-N 1 2 349.309 1.936 20 5 EDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943166 449662047 /nfs/dbraw/zinc/66/20/47/449662047.db2.gz QSBFKQCMHVZYGJ-CYBMUJFWSA-N 1 2 329.360 1.725 20 5 EDBDLO CN(CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])S(C)(=O)=O ZINC000599022203 449701491 /nfs/dbraw/zinc/70/14/91/449701491.db2.gz OGGGDVSVFYEZJC-UHFFFAOYSA-N 1 2 338.389 1.836 20 5 EDBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594794232 449705196 /nfs/dbraw/zinc/70/51/96/449705196.db2.gz ZMWWPKRWKHXTRL-JTQLQIEISA-N 1 2 345.396 1.885 20 5 EDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594794232 449705201 /nfs/dbraw/zinc/70/52/01/449705201.db2.gz ZMWWPKRWKHXTRL-JTQLQIEISA-N 1 2 345.396 1.885 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCCN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599061600 449714325 /nfs/dbraw/zinc/71/43/25/449714325.db2.gz DPBMZKBKWDVSTM-LLVKDONJSA-N 1 2 336.373 1.400 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599076088 449720039 /nfs/dbraw/zinc/72/00/39/449720039.db2.gz BTXHYEZRIPJZOB-JKSUJKDBSA-N 1 2 345.403 1.338 20 5 EDBDLO O=C1NC(=O)[C@@]2(CCCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)N1 ZINC000599081705 449721435 /nfs/dbraw/zinc/72/14/35/449721435.db2.gz UHFGULZLPNYCJE-INIZCTEOSA-N 1 2 341.327 1.321 20 5 EDBDLO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183442 449783248 /nfs/dbraw/zinc/78/32/48/449783248.db2.gz NLTRHSQOBNUEAC-AWEZNQCLSA-N 1 2 329.360 1.698 20 5 EDBDLO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183442 449783257 /nfs/dbraw/zinc/78/32/57/449783257.db2.gz NLTRHSQOBNUEAC-AWEZNQCLSA-N 1 2 329.360 1.698 20 5 EDBDLO Cc1cc(NC[C@@H](O)[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599132803 449754592 /nfs/dbraw/zinc/75/45/92/449754592.db2.gz PBARHAKEZLSRKE-CABCVRRESA-N 1 2 344.371 1.734 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1sccc1[N+](=O)[O-] ZINC000599131605 449754797 /nfs/dbraw/zinc/75/47/97/449754797.db2.gz RGMKOCOSRMLGNZ-AWEZNQCLSA-N 1 2 327.406 1.684 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1sccc1[N+](=O)[O-] ZINC000599131605 449754801 /nfs/dbraw/zinc/75/48/01/449754801.db2.gz RGMKOCOSRMLGNZ-AWEZNQCLSA-N 1 2 327.406 1.684 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000599161972 449771026 /nfs/dbraw/zinc/77/10/26/449771026.db2.gz ZMMDFJBXEDQRLM-ZDUSSCGKSA-N 1 2 334.401 2.461 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000599161972 449771030 /nfs/dbraw/zinc/77/10/30/449771030.db2.gz ZMMDFJBXEDQRLM-ZDUSSCGKSA-N 1 2 334.401 2.461 20 5 EDBDLO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000617722433 449775953 /nfs/dbraw/zinc/77/59/53/449775953.db2.gz XLKXUHQFLYZAQY-IHRRRGAJSA-N 1 2 335.404 1.924 20 5 EDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601356631 449869345 /nfs/dbraw/zinc/86/93/45/449869345.db2.gz UBXOWHRVLBENOJ-MRXNPFEDSA-N 1 2 344.415 1.133 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000609598873 450063229 /nfs/dbraw/zinc/06/32/29/450063229.db2.gz FQGCXEXTMVLHDW-SNVBAGLBSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000609598873 450063235 /nfs/dbraw/zinc/06/32/35/450063235.db2.gz FQGCXEXTMVLHDW-SNVBAGLBSA-N 1 2 331.369 1.248 20 5 EDBDLO Cc1noc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1[N+](=O)[O-] ZINC000595311607 450023880 /nfs/dbraw/zinc/02/38/80/450023880.db2.gz DLJUEXLQEXLYAH-CQSZACIVSA-N 1 2 335.360 1.901 20 5 EDBDLO Cc1noc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1[N+](=O)[O-] ZINC000595311607 450023886 /nfs/dbraw/zinc/02/38/86/450023886.db2.gz DLJUEXLQEXLYAH-CQSZACIVSA-N 1 2 335.360 1.901 20 5 EDBDLO CN(C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000595362305 450075959 /nfs/dbraw/zinc/07/59/59/450075959.db2.gz IRGCMLSPMYPQGJ-UHFFFAOYSA-N 1 2 345.396 1.590 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597575959 450119331 /nfs/dbraw/zinc/11/93/31/450119331.db2.gz AUKUXHVSXCIUFF-GHMZBOCLSA-N 1 2 339.371 1.700 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597575959 450119336 /nfs/dbraw/zinc/11/93/36/450119336.db2.gz AUKUXHVSXCIUFF-GHMZBOCLSA-N 1 2 339.371 1.700 20 5 EDBDLO NS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599645659 450125992 /nfs/dbraw/zinc/12/59/92/450125992.db2.gz DAJNRJPOVWFNCZ-UHFFFAOYSA-N 1 2 348.812 1.006 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599704853 450166502 /nfs/dbraw/zinc/16/65/02/450166502.db2.gz VTHXRNOJHDRNMP-HNNXBMFYSA-N 1 2 349.387 1.952 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599704853 450166506 /nfs/dbraw/zinc/16/65/06/450166506.db2.gz VTHXRNOJHDRNMP-HNNXBMFYSA-N 1 2 349.387 1.952 20 5 EDBDLO COc1cc(C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000601733547 450197066 /nfs/dbraw/zinc/19/70/66/450197066.db2.gz FWQPGULMASXICV-CYBMUJFWSA-N 1 2 337.376 1.314 20 5 EDBDLO COc1cc(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC000601733547 450197071 /nfs/dbraw/zinc/19/70/71/450197071.db2.gz FWQPGULMASXICV-CYBMUJFWSA-N 1 2 337.376 1.314 20 5 EDBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000615781434 450236877 /nfs/dbraw/zinc/23/68/77/450236877.db2.gz WMFFAFUUCMKZCH-NSHDSACASA-N 1 2 327.344 1.334 20 5 EDBDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)CCN2C1=O ZINC000610605594 450272155 /nfs/dbraw/zinc/27/21/55/450272155.db2.gz IKSHCTHZVOKUCR-CYBMUJFWSA-N 1 2 348.359 1.072 20 5 EDBDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)CCN2C1=O ZINC000610605594 450272158 /nfs/dbraw/zinc/27/21/58/450272158.db2.gz IKSHCTHZVOKUCR-CYBMUJFWSA-N 1 2 348.359 1.072 20 5 EDBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000302467503 518190391 /nfs/dbraw/zinc/19/03/91/518190391.db2.gz BVJGDFDCVMZOHM-CYBMUJFWSA-N 1 2 332.404 1.692 20 5 EDBDLO CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000340363562 534343878 /nfs/dbraw/zinc/34/38/78/534343878.db2.gz GKFCSAMFYYATIS-CQSZACIVSA-N 1 2 347.415 1.852 20 5 EDBDLO CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000340363562 534343886 /nfs/dbraw/zinc/34/38/86/534343886.db2.gz GKFCSAMFYYATIS-CQSZACIVSA-N 1 2 347.415 1.852 20 5 EDBDLO CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183661166 526626698 /nfs/dbraw/zinc/62/66/98/526626698.db2.gz OOTOXPYMQNYEOO-CQSZACIVSA-N 1 2 332.360 1.917 20 5 EDBDLO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352762660 536013625 /nfs/dbraw/zinc/01/36/25/536013625.db2.gz IJYVXYBLMYIUFR-ZDUSSCGKSA-N 1 2 341.331 1.157 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271743906 536952851 /nfs/dbraw/zinc/95/28/51/536952851.db2.gz CXVDPQMHSUJRHQ-UHFFFAOYSA-N 1 2 333.348 1.679 20 5 EDBDLO O=C1CN(C[NH+]2CCSCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726585893 578350311 /nfs/dbraw/zinc/35/03/11/578350311.db2.gz RHKKGFKYBRWDQJ-UHFFFAOYSA-N 1 2 336.373 1.370 20 5 EDBDLO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000730260842 578637489 /nfs/dbraw/zinc/63/74/89/578637489.db2.gz VYAXBWMVUPPPKS-CYBMUJFWSA-N 1 2 334.332 1.042 20 5 EDBDLO C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000730260842 578637490 /nfs/dbraw/zinc/63/74/90/578637490.db2.gz VYAXBWMVUPPPKS-CYBMUJFWSA-N 1 2 334.332 1.042 20 5 EDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000745083383 579537366 /nfs/dbraw/zinc/53/73/66/579537366.db2.gz CEBWWCWZONUALB-CQSZACIVSA-N 1 2 347.371 1.511 20 5 EDBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000745083383 579537367 /nfs/dbraw/zinc/53/73/67/579537367.db2.gz CEBWWCWZONUALB-CQSZACIVSA-N 1 2 347.371 1.511 20 5 EDBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000753679757 579884977 /nfs/dbraw/zinc/88/49/77/579884977.db2.gz OJFBZOZLVLMJEB-UHFFFAOYSA-N 1 2 343.387 1.901 20 5 EDBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000755494880 579928019 /nfs/dbraw/zinc/92/80/19/579928019.db2.gz WOLCOGAKAWJDEG-AINHQSCGSA-N 1 2 345.399 1.931 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778235462 580459582 /nfs/dbraw/zinc/45/95/82/580459582.db2.gz PGPODKVCHOEOOC-QMMMGPOBSA-N 1 2 332.345 1.615 20 5 EDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000768837390 580221817 /nfs/dbraw/zinc/22/18/17/580221817.db2.gz WEFOCNWJSQZSBL-SNVBAGLBSA-N 1 2 342.402 1.879 20 5 EDBDLO Cc1nn(C[N@@H+]2CCO[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000768898845 580223796 /nfs/dbraw/zinc/22/37/96/580223796.db2.gz GTPNEFMJAFMXFS-OAHLLOKOSA-N 1 2 333.348 1.097 20 5 EDBDLO Cc1nn(C[N@H+]2CCO[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000768898845 580223797 /nfs/dbraw/zinc/22/37/97/580223797.db2.gz GTPNEFMJAFMXFS-OAHLLOKOSA-N 1 2 333.348 1.097 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000785675503 580649857 /nfs/dbraw/zinc/64/98/57/580649857.db2.gz HVXXLOQKMBPTTG-UHFFFAOYSA-N 1 2 327.300 1.834 20 5 EDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000795645427 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HPNOQJHJQZYBGI-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830135535 594342647 /nfs/dbraw/zinc/34/26/47/594342647.db2.gz HPNOQJHJQZYBGI-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO C[C@@](CO)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000827195757 594651653 /nfs/dbraw/zinc/65/16/53/594651653.db2.gz VDPQKVDHXILFHZ-INIZCTEOSA-N 1 2 330.344 1.671 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c32)cc([N+](=O)[O-])c1F ZINC000831737352 594697689 /nfs/dbraw/zinc/69/76/89/594697689.db2.gz CAJDPPVTZRAKLF-JTQLQIEISA-N 1 2 340.336 1.662 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832415737 594748821 /nfs/dbraw/zinc/74/88/21/594748821.db2.gz WARBZIFWNKSPMY-SECBINFHSA-N 1 2 342.352 1.990 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000837438850 595111205 /nfs/dbraw/zinc/11/12/05/595111205.db2.gz NXBVGPZLWJGZGS-UHFFFAOYSA-N 1 2 334.288 1.944 20 5 EDBDLO C[C@@H](CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844375656 595333296 /nfs/dbraw/zinc/33/32/96/595333296.db2.gz OXZNFHLJMYRCJI-NSHDSACASA-N 1 2 332.316 1.924 20 5 EDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847182860 595373100 /nfs/dbraw/zinc/37/31/00/595373100.db2.gz ZVADUYPWKPZIJW-UTUOFQBUSA-N 1 2 339.367 1.961 20 5 EDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847182860 595373103 /nfs/dbraw/zinc/37/31/03/595373103.db2.gz ZVADUYPWKPZIJW-UTUOFQBUSA-N 1 2 339.367 1.961 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580687 595408256 /nfs/dbraw/zinc/40/82/56/595408256.db2.gz DXUVWGWEXGTRHY-SNVBAGLBSA-N 1 2 340.286 1.968 20 5 EDBDLO C[C@@]12COC[C@]1(C)C[N@@H+](CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 ZINC000853543583 595793111 /nfs/dbraw/zinc/79/31/11/595793111.db2.gz CZRYZWBKQLKEEC-CALCHBBNSA-N 1 2 345.355 1.507 20 5 EDBDLO 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596554078 /nfs/dbraw/zinc/55/40/78/596554078.db2.gz RRTQDJQZLAWNRE-SNVBAGLBSA-N 1 2 327.385 1.902 20 5 EDBDLO Cc1nn(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000863333394 596554079 /nfs/dbraw/zinc/55/40/79/596554079.db2.gz RRTQDJQZLAWNRE-SNVBAGLBSA-N 1 2 327.385 1.902 20 5 EDBDLO CO[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)Cc3ccc[nH+]c3N2C1 ZINC000866056556 596773710 /nfs/dbraw/zinc/77/37/10/596773710.db2.gz BUQJDMHOSGQUDL-HUUCEWRRSA-N 1 2 341.371 1.999 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000874703212 597146848 /nfs/dbraw/zinc/14/68/48/597146848.db2.gz OSFSYWOQFITJFD-CYBMUJFWSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000874703212 597146850 /nfs/dbraw/zinc/14/68/50/597146850.db2.gz OSFSYWOQFITJFD-CYBMUJFWSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874702810 597146891 /nfs/dbraw/zinc/14/68/91/597146891.db2.gz KGSKAGHYFWGYCF-LLVKDONJSA-N 1 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ZINC000881213644 598099322 /nfs/dbraw/zinc/09/93/22/598099322.db2.gz RKEJQZBPXJJASB-UHFFFAOYSA-N 1 2 335.339 1.248 20 5 EDBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000069131503 699073132 /nfs/dbraw/zinc/07/31/32/699073132.db2.gz PNOOPGAEEQSTDU-UHFFFAOYSA-N 1 2 332.404 1.973 20 5 EDBDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)o1 ZINC001002290898 708774997 /nfs/dbraw/zinc/77/49/97/708774997.db2.gz CGVOHYBTGASKDK-UHFFFAOYSA-N 1 2 347.375 1.624 20 5 EDBDLO CN(CCCn1cc[nH+]c1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179609528 529899321 /nfs/dbraw/zinc/89/93/21/529899321.db2.gz IJAQHROHIXOUMK-UHFFFAOYSA-N 1 2 344.418 1.783 20 5 EDBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000435442222 305140411 /nfs/dbraw/zinc/14/04/11/305140411.db2.gz HHBNBADQZGZQRL-SNVBAGLBSA-N 1 2 333.435 1.807 20 5 EDBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000435442222 305140412 /nfs/dbraw/zinc/14/04/12/305140412.db2.gz HHBNBADQZGZQRL-SNVBAGLBSA-N 1 2 333.435 1.807 20 5 EDBDLO CN(C)c1[nH+]cccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000067292454 138185275 /nfs/dbraw/zinc/18/52/75/138185275.db2.gz NDAZTEHCHQWKKX-UHFFFAOYSA-N 1 2 329.360 1.784 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000090552658 138279750 /nfs/dbraw/zinc/27/97/50/138279750.db2.gz CMKAQFOKPMIFJW-INIZCTEOSA-N 1 2 345.355 1.536 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000090552658 138279751 /nfs/dbraw/zinc/27/97/51/138279751.db2.gz CMKAQFOKPMIFJW-INIZCTEOSA-N 1 2 345.355 1.536 20 5 EDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135709334 201130414 /nfs/dbraw/zinc/13/04/14/201130414.db2.gz DEBHKZJVEZMXPM-CQSZACIVSA-N 1 2 339.417 1.595 20 5 EDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135709334 201130416 /nfs/dbraw/zinc/13/04/16/201130416.db2.gz DEBHKZJVEZMXPM-CQSZACIVSA-N 1 2 339.417 1.595 20 5 EDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408084216 291301054 /nfs/dbraw/zinc/30/10/54/291301054.db2.gz NPTDIYZDUGCDGV-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408084216 291301057 /nfs/dbraw/zinc/30/10/57/291301057.db2.gz NPTDIYZDUGCDGV-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO COCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071118368 203086799 /nfs/dbraw/zinc/08/67/99/203086799.db2.gz QBPXIDVOPLNNFQ-OAHLLOKOSA-N 1 2 342.417 1.620 20 5 EDBDLO COCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071118368 203086802 /nfs/dbraw/zinc/08/68/02/203086802.db2.gz QBPXIDVOPLNNFQ-OAHLLOKOSA-N 1 2 342.417 1.620 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195219158 139010432 /nfs/dbraw/zinc/01/04/32/139010432.db2.gz XBQYXSOEPDHMDR-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567438566 306451467 /nfs/dbraw/zinc/45/14/67/306451467.db2.gz JBXBFGFNOWTXPB-ZIAGYGMSSA-N 1 2 335.404 1.877 20 5 EDBDLO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128894666 205168345 /nfs/dbraw/zinc/16/83/45/205168345.db2.gz QOCYIMMBXMFBTA-ZDUSSCGKSA-N 1 2 337.376 1.267 20 5 EDBDLO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128894666 205168349 /nfs/dbraw/zinc/16/83/49/205168349.db2.gz QOCYIMMBXMFBTA-ZDUSSCGKSA-N 1 2 337.376 1.267 20 5 EDBDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000133525714 205369697 /nfs/dbraw/zinc/36/96/97/205369697.db2.gz SILRWQLUCYJLCV-GFCCVEGCSA-N 1 2 336.392 1.688 20 5 EDBDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000133525714 205369701 /nfs/dbraw/zinc/36/97/01/205369701.db2.gz SILRWQLUCYJLCV-GFCCVEGCSA-N 1 2 336.392 1.688 20 5 EDBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000495643397 255311007 /nfs/dbraw/zinc/31/10/07/255311007.db2.gz ZSOQTFQPLURECG-GFCCVEGCSA-N 1 2 339.396 1.771 20 5 EDBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000495643397 255311008 /nfs/dbraw/zinc/31/10/08/255311008.db2.gz ZSOQTFQPLURECG-GFCCVEGCSA-N 1 2 339.396 1.771 20 5 EDBDLO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCS(C)(=O)=O ZINC000269895914 140014588 /nfs/dbraw/zinc/01/45/88/140014588.db2.gz GSWLBZHKYKUJSL-UHFFFAOYSA-N 1 2 346.405 1.349 20 5 EDBDLO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCS(C)(=O)=O ZINC000269895914 140014589 /nfs/dbraw/zinc/01/45/89/140014589.db2.gz GSWLBZHKYKUJSL-UHFFFAOYSA-N 1 2 346.405 1.349 20 5 EDBDLO C[C@@H](CO)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000270469096 140106073 /nfs/dbraw/zinc/10/60/73/140106073.db2.gz QDQUJAASXGRHOI-GFCCVEGCSA-N 1 2 332.360 1.919 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270587056 140129024 /nfs/dbraw/zinc/12/90/24/140129024.db2.gz XOJVCIQDFPEYDH-UHFFFAOYSA-N 1 2 336.392 1.111 20 5 EDBDLO O=C(C[N@@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270849293 140182310 /nfs/dbraw/zinc/18/23/10/140182310.db2.gz GNBMFNBLJGCFDD-LBPRGKRZSA-N 1 2 332.360 1.230 20 5 EDBDLO O=C(C[N@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270849293 140182312 /nfs/dbraw/zinc/18/23/12/140182312.db2.gz GNBMFNBLJGCFDD-LBPRGKRZSA-N 1 2 332.360 1.230 20 5 EDBDLO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000347239359 143298793 /nfs/dbraw/zinc/29/87/93/143298793.db2.gz SWCPNEZPQWPLQY-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000347367802 143313334 /nfs/dbraw/zinc/31/33/34/143313334.db2.gz MRKMFHYXTUFRAH-KPKJPENVSA-N 1 2 329.360 1.598 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(CO)nnc2C1 ZINC000347367802 143313335 /nfs/dbraw/zinc/31/33/35/143313335.db2.gz MRKMFHYXTUFRAH-KPKJPENVSA-N 1 2 329.360 1.598 20 5 EDBDLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369682726 155134140 /nfs/dbraw/zinc/13/41/40/155134140.db2.gz UCVJGTUZYHHMKZ-JTQLQIEISA-N 1 2 332.368 1.511 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352817036 149178612 /nfs/dbraw/zinc/17/86/12/149178612.db2.gz QGGXCGPFELMCEZ-WQAKAFBOSA-N 1 2 334.332 1.397 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352817036 149178615 /nfs/dbraw/zinc/17/86/15/149178615.db2.gz QGGXCGPFELMCEZ-WQAKAFBOSA-N 1 2 334.332 1.397 20 5 EDBDLO COc1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000355446606 150270914 /nfs/dbraw/zinc/27/09/14/150270914.db2.gz ROLIANVQLBVARV-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000355446606 150270917 /nfs/dbraw/zinc/27/09/17/150270917.db2.gz ROLIANVQLBVARV-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO CCn1cc(C[N@H+](CCO)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000355525898 150302538 /nfs/dbraw/zinc/30/25/38/150302538.db2.gz FYQSCTPQGIIVGI-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000355525898 150302539 /nfs/dbraw/zinc/30/25/39/150302539.db2.gz FYQSCTPQGIIVGI-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360444821 152046537 /nfs/dbraw/zinc/04/65/37/152046537.db2.gz POXQUUXPYUXQFF-UHFFFAOYSA-N 1 2 343.343 1.396 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360444821 152046538 /nfs/dbraw/zinc/04/65/38/152046538.db2.gz POXQUUXPYUXQFF-UHFFFAOYSA-N 1 2 343.343 1.396 20 5 EDBDLO CCc1n[nH]c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000360608376 152120089 /nfs/dbraw/zinc/12/00/89/152120089.db2.gz TYNFHTKRZOKSAO-UHFFFAOYSA-N 1 2 340.343 1.996 20 5 EDBDLO COc1cc(C[N@H+](CCNS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000361391602 152380651 /nfs/dbraw/zinc/38/06/51/152380651.db2.gz PRYBYUVTJIWHGZ-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1cc(C[N@@H+](CCNS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000361391602 152380652 /nfs/dbraw/zinc/38/06/52/152380652.db2.gz PRYBYUVTJIWHGZ-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1[NH+]1CCOCC1 ZINC000364892805 153362293 /nfs/dbraw/zinc/36/22/93/153362293.db2.gz HACOHAOLOIJXCL-WBMJQRKESA-N 1 2 348.403 1.360 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)n1 ZINC000370654875 292285476 /nfs/dbraw/zinc/28/54/76/292285476.db2.gz YGDQEVMEJCFAIU-UHFFFAOYSA-N 1 2 335.408 1.335 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](CC(=O)NC(C)C)CC2)n1 ZINC000370654875 292285478 /nfs/dbraw/zinc/28/54/78/292285478.db2.gz YGDQEVMEJCFAIU-UHFFFAOYSA-N 1 2 335.408 1.335 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000350969593 292294477 /nfs/dbraw/zinc/29/44/77/292294477.db2.gz FIHFKWYFGPDASI-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000350969593 292294479 /nfs/dbraw/zinc/29/44/79/292294479.db2.gz FIHFKWYFGPDASI-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367114529 154012733 /nfs/dbraw/zinc/01/27/33/154012733.db2.gz OXZHWNSOPNLZEX-LLVKDONJSA-N 1 2 343.343 1.408 20 5 EDBDLO Cc1cc(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c(N)c([N+](=O)[O-])c1 ZINC000369502236 155062835 /nfs/dbraw/zinc/06/28/35/155062835.db2.gz FMASZUXXSYMYRT-LLVKDONJSA-N 1 2 329.360 1.674 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119143917 287350292 /nfs/dbraw/zinc/35/02/92/287350292.db2.gz BPBVSAAVXHCANM-SECBINFHSA-N 1 2 333.797 1.372 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119143917 287350293 /nfs/dbraw/zinc/35/02/93/287350293.db2.gz BPBVSAAVXHCANM-SECBINFHSA-N 1 2 333.797 1.372 20 5 EDBDLO NS(=O)(=O)CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129774346 287481338 /nfs/dbraw/zinc/48/13/38/287481338.db2.gz FRNJICCXAWICDU-UHFFFAOYSA-N 1 2 347.824 1.749 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000273551709 273043861 /nfs/dbraw/zinc/04/38/61/273043861.db2.gz VHKIDDXDBWDDOS-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000273551709 273043862 /nfs/dbraw/zinc/04/38/62/273043862.db2.gz VHKIDDXDBWDDOS-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000275608036 273112520 /nfs/dbraw/zinc/11/25/20/273112520.db2.gz SHXRUURABZQUNJ-LLVKDONJSA-N 1 2 332.364 1.711 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276346834 273161985 /nfs/dbraw/zinc/16/19/85/273161985.db2.gz TXKMOEVXMBQCCV-YGRLFVJLSA-N 1 2 339.417 1.893 20 5 EDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276346834 273161986 /nfs/dbraw/zinc/16/19/86/273161986.db2.gz TXKMOEVXMBQCCV-YGRLFVJLSA-N 1 2 339.417 1.893 20 5 EDBDLO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276352656 273162567 /nfs/dbraw/zinc/16/25/67/273162567.db2.gz URPVMULRATVIPV-LLVKDONJSA-N 1 2 327.406 1.893 20 5 EDBDLO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276352656 273162568 /nfs/dbraw/zinc/16/25/68/273162568.db2.gz URPVMULRATVIPV-LLVKDONJSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277023598 273177350 /nfs/dbraw/zinc/17/73/50/273177350.db2.gz APBGTDOGVPVIOT-WOZUBWMWSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000277023598 273177352 /nfs/dbraw/zinc/17/73/52/273177352.db2.gz APBGTDOGVPVIOT-WOZUBWMWSA-N 1 2 342.417 1.177 20 5 EDBDLO CNC(=O)NC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000282184780 273602534 /nfs/dbraw/zinc/60/25/34/273602534.db2.gz GQANGJOUSCEOTJ-UHFFFAOYSA-N 1 2 342.359 1.478 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1[N+](=O)[O-] ZINC000284718266 274306534 /nfs/dbraw/zinc/30/65/34/274306534.db2.gz SBFWWTGVCDLNOS-KGLIPLIRSA-N 1 2 348.403 1.980 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1[N+](=O)[O-] ZINC000284718266 274306536 /nfs/dbraw/zinc/30/65/36/274306536.db2.gz SBFWWTGVCDLNOS-KGLIPLIRSA-N 1 2 348.403 1.980 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285964465 287902305 /nfs/dbraw/zinc/90/23/05/287902305.db2.gz WDQZPLLSYTYCHT-DGCLKSJQSA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286289487 287974803 /nfs/dbraw/zinc/97/48/03/287974803.db2.gz CWRMDUDGHJFRGB-UHFFFAOYSA-N 1 2 345.359 1.711 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000331319661 278001688 /nfs/dbraw/zinc/00/16/88/278001688.db2.gz DTSVPKNJMFGREW-UHFFFAOYSA-N 1 2 339.396 1.282 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286513851 288024444 /nfs/dbraw/zinc/02/44/44/288024444.db2.gz ZDNZODKFMLQKIQ-OLZOCXBDSA-N 1 2 332.404 1.862 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286862892 288107361 /nfs/dbraw/zinc/10/73/61/288107361.db2.gz UZWCCXXANVSBMS-SNVBAGLBSA-N 1 2 346.347 1.072 20 5 EDBDLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000292189095 289284602 /nfs/dbraw/zinc/28/46/02/289284602.db2.gz RDPMVXRICGACRK-OAHLLOKOSA-N 1 2 342.417 1.385 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000161623430 302927464 /nfs/dbraw/zinc/92/74/64/302927464.db2.gz OOPLEQDHTVLDIT-UHFFFAOYSA-N 1 2 340.343 1.503 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293761803 303014763 /nfs/dbraw/zinc/01/47/63/303014763.db2.gz KBFSJQLWZXNVQX-AOOOYVTPSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293761803 303014765 /nfs/dbraw/zinc/01/47/65/303014765.db2.gz KBFSJQLWZXNVQX-AOOOYVTPSA-N 1 2 331.369 1.447 20 5 EDBDLO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000301577001 303685026 /nfs/dbraw/zinc/68/50/26/303685026.db2.gz OBBWCHHAFMGQPA-ABAIWWIYSA-N 1 2 339.367 1.899 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000160392530 304803101 /nfs/dbraw/zinc/80/31/01/304803101.db2.gz QPQSVKXNCNKSLL-ZDUSSCGKSA-N 1 2 336.348 1.804 20 5 EDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427992757 305003241 /nfs/dbraw/zinc/00/32/41/305003241.db2.gz MVXNUEXGDIWOJP-ZDUSSCGKSA-N 1 2 339.355 1.877 20 5 EDBDLO C[C@@H]([NH2+]Cc1nnnn1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000433241278 305103578 /nfs/dbraw/zinc/10/35/78/305103578.db2.gz OGAFFOBEYRNTNS-LLVKDONJSA-N 1 2 332.364 1.784 20 5 EDBDLO NC(=O)c1cccc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000439134599 305194511 /nfs/dbraw/zinc/19/45/11/305194511.db2.gz OHGGYPDDDNZMOG-UHFFFAOYSA-N 1 2 327.344 1.415 20 5 EDBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(N)=O ZINC000448928876 305304598 /nfs/dbraw/zinc/30/45/98/305304598.db2.gz OJRZTHSXAQSQTN-CYBMUJFWSA-N 1 2 331.332 1.020 20 5 EDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000471767751 305540197 /nfs/dbraw/zinc/54/01/97/305540197.db2.gz IGSWGPARBADCCY-ZDUSSCGKSA-N 1 2 349.387 1.613 20 5 EDBDLO NS(=O)(=O)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538707155 306032761 /nfs/dbraw/zinc/03/27/61/306032761.db2.gz SADIGRVOVDWHFH-UHFFFAOYSA-N 1 2 339.377 1.331 20 5 EDBDLO O=C(N1CCc2c(cccc2[N+](=O)[O-])C1)C1([NH+]2CCOCC2)CCC1 ZINC000543017079 306060119 /nfs/dbraw/zinc/06/01/19/306060119.db2.gz QVTQXGIZZJBMIG-UHFFFAOYSA-N 1 2 345.399 1.734 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[S@@]1=O ZINC000449915883 447411223 /nfs/dbraw/zinc/41/12/23/447411223.db2.gz PTOVBFQNYMHQAK-JNDILOIQSA-N 1 2 348.384 1.374 20 5 EDBDLO COC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000449941470 447416755 /nfs/dbraw/zinc/41/67/55/447416755.db2.gz WFOIOLLFASAHKM-ZDUSSCGKSA-N 1 2 346.343 1.268 20 5 EDBDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000045805764 441040885 /nfs/dbraw/zinc/04/08/85/441040885.db2.gz VICDUKHHRLAISD-UHFFFAOYSA-N 1 2 338.364 1.129 20 5 EDBDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000045805764 441040892 /nfs/dbraw/zinc/04/08/92/441040892.db2.gz VICDUKHHRLAISD-UHFFFAOYSA-N 1 2 338.364 1.129 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046406681 441105922 /nfs/dbraw/zinc/10/59/22/441105922.db2.gz FKJFJIZDKJERPH-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046406681 441105924 /nfs/dbraw/zinc/10/59/24/441105924.db2.gz FKJFJIZDKJERPH-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c[nH+]2)CCO1 ZINC000046716103 441119249 /nfs/dbraw/zinc/11/92/49/441119249.db2.gz MSMKDWNYEXTBGI-NSHDSACASA-N 1 2 346.343 1.738 20 5 EDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCCCCC1 ZINC000014673065 441187263 /nfs/dbraw/zinc/18/72/63/441187263.db2.gz ORVHKGJMBAQOSQ-UHFFFAOYSA-N 1 2 347.419 1.514 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047162009 441162075 /nfs/dbraw/zinc/16/20/75/441162075.db2.gz GLTPDLQWEHIBBH-LBPRGKRZSA-N 1 2 348.403 1.620 20 5 EDBDLO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000080917785 441207470 /nfs/dbraw/zinc/20/74/70/441207470.db2.gz QWVPBTNYGOMZPN-CQSZACIVSA-N 1 2 349.387 1.540 20 5 EDBDLO CN(C)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000058773395 441211231 /nfs/dbraw/zinc/21/12/31/441211231.db2.gz ITWSAITVHDRZSO-UHFFFAOYSA-N 1 2 334.376 1.334 20 5 EDBDLO NC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000060794046 441258088 /nfs/dbraw/zinc/25/80/88/441258088.db2.gz SJSZCXJKAPAENE-LBPRGKRZSA-N 1 2 343.343 1.118 20 5 EDBDLO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000081800476 441315481 /nfs/dbraw/zinc/31/54/81/441315481.db2.gz CBEVYMHWFXPMAI-CYBMUJFWSA-N 1 2 331.376 1.680 20 5 EDBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483881 441378818 /nfs/dbraw/zinc/37/88/18/441378818.db2.gz YPRNBXNFCRSKQA-CYBMUJFWSA-N 1 2 347.419 1.559 20 5 EDBDLO Cc1cc(N2CCO[C@@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000050955671 441393517 /nfs/dbraw/zinc/39/35/17/441393517.db2.gz PEVMTSHMFNSBKQ-CYBMUJFWSA-N 1 2 343.343 1.051 20 5 EDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000074115508 441395074 /nfs/dbraw/zinc/39/50/74/441395074.db2.gz AGFYQEGHJSHBDQ-UHFFFAOYSA-N 1 2 344.780 1.802 20 5 EDBDLO CCCCNC(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025926141 441361047 /nfs/dbraw/zinc/36/10/47/441361047.db2.gz KRWRXQCXSBNVCA-UHFFFAOYSA-N 1 2 334.420 1.629 20 5 EDBDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025926141 441361049 /nfs/dbraw/zinc/36/10/49/441361049.db2.gz KRWRXQCXSBNVCA-UHFFFAOYSA-N 1 2 334.420 1.629 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074739435 441461003 /nfs/dbraw/zinc/46/10/03/441461003.db2.gz VKCJVZMQTGUVRB-ZDUSSCGKSA-N 1 2 335.408 1.335 20 5 EDBDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606207 441514873 /nfs/dbraw/zinc/51/48/73/441514873.db2.gz FNVYQLCJXBOYDE-WBMJQRKESA-N 1 2 333.388 1.637 20 5 EDBDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606207 441514877 /nfs/dbraw/zinc/51/48/77/441514877.db2.gz FNVYQLCJXBOYDE-WBMJQRKESA-N 1 2 333.388 1.637 20 5 EDBDLO Cc1nc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCCC2)no1 ZINC000090551158 441633582 /nfs/dbraw/zinc/63/35/82/441633582.db2.gz SRIJNWSHVHONHO-UHFFFAOYSA-N 1 2 333.348 1.507 20 5 EDBDLO COC(=O)Cn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000090707808 441641647 /nfs/dbraw/zinc/64/16/47/441641647.db2.gz JUSPIZHZBNXDEL-NSHDSACASA-N 1 2 333.348 1.519 20 5 EDBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091896611 441751583 /nfs/dbraw/zinc/75/15/83/441751583.db2.gz QAXFUDJEIMJTCQ-CYBMUJFWSA-N 1 2 343.405 1.203 20 5 EDBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091896611 441751590 /nfs/dbraw/zinc/75/15/90/441751590.db2.gz QAXFUDJEIMJTCQ-CYBMUJFWSA-N 1 2 343.405 1.203 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092068036 441769970 /nfs/dbraw/zinc/76/99/70/441769970.db2.gz AEYPVJWUDXQMIL-CYBMUJFWSA-N 1 2 341.433 1.842 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092068036 441769977 /nfs/dbraw/zinc/76/99/77/441769977.db2.gz AEYPVJWUDXQMIL-CYBMUJFWSA-N 1 2 341.433 1.842 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000174419165 441922380 /nfs/dbraw/zinc/92/23/80/441922380.db2.gz RBBULONZXPZANC-GFCCVEGCSA-N 1 2 348.428 1.773 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000174419179 441923381 /nfs/dbraw/zinc/92/33/81/441923381.db2.gz RBBULONZXPZANC-LBPRGKRZSA-N 1 2 348.428 1.773 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000450289434 447444087 /nfs/dbraw/zinc/44/40/87/447444087.db2.gz VGYVOBYTZGHGCI-NHYWBVRUSA-N 1 2 330.344 1.623 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000163573101 442174670 /nfs/dbraw/zinc/17/46/70/442174670.db2.gz FEGOKKYQESVZRW-UHFFFAOYSA-N 1 2 335.389 1.178 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000163573101 442174673 /nfs/dbraw/zinc/17/46/73/442174673.db2.gz FEGOKKYQESVZRW-UHFFFAOYSA-N 1 2 335.389 1.178 20 5 EDBDLO COC(=O)CCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229729 442269714 /nfs/dbraw/zinc/26/97/14/442269714.db2.gz CWJWBGHWLFHEET-UHFFFAOYSA-N 1 2 335.360 1.239 20 5 EDBDLO COC(=O)CCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229729 442269717 /nfs/dbraw/zinc/26/97/17/442269717.db2.gz CWJWBGHWLFHEET-UHFFFAOYSA-N 1 2 335.360 1.239 20 5 EDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncon1 ZINC000154428207 442338717 /nfs/dbraw/zinc/33/87/17/442338717.db2.gz SPHKZAVETHQGCM-VIFPVBQESA-N 1 2 328.288 1.655 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000177505005 442350683 /nfs/dbraw/zinc/35/06/83/442350683.db2.gz UIFYPSUDLQCODL-PWSUYJOCSA-N 1 2 332.364 1.800 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000177505005 442350684 /nfs/dbraw/zinc/35/06/84/442350684.db2.gz UIFYPSUDLQCODL-PWSUYJOCSA-N 1 2 332.364 1.800 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134545284 442493482 /nfs/dbraw/zinc/49/34/82/442493482.db2.gz ZWSFICYBOZABRE-UHFFFAOYSA-N 1 2 338.389 1.811 20 5 EDBDLO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179474061 442462203 /nfs/dbraw/zinc/46/22/03/442462203.db2.gz GSMDRPXWCJFVQL-UHFFFAOYSA-N 1 2 337.376 1.531 20 5 EDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748834 442532710 /nfs/dbraw/zinc/53/27/10/442532710.db2.gz FDDZZIJWWBBZGO-APHBUQMISA-N 1 2 331.372 1.541 20 5 EDBDLO CSc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187266531 442665611 /nfs/dbraw/zinc/66/56/11/442665611.db2.gz ZEVQPWTXWAKDNK-LLVKDONJSA-N 1 2 339.417 1.455 20 5 EDBDLO CSc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187266531 442665612 /nfs/dbraw/zinc/66/56/12/442665612.db2.gz ZEVQPWTXWAKDNK-LLVKDONJSA-N 1 2 339.417 1.455 20 5 EDBDLO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cn1cc[nH+]c1 ZINC000265736371 442901147 /nfs/dbraw/zinc/90/11/47/442901147.db2.gz DIPGJCLJDPZBMA-NSHDSACASA-N 1 2 346.343 1.629 20 5 EDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265797557 442924934 /nfs/dbraw/zinc/92/49/34/442924934.db2.gz MSUMGLBIPPBOHY-AWEZNQCLSA-N 1 2 348.447 1.625 20 5 EDBDLO C[C@@H](c1nnnn1C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189477098 442963056 /nfs/dbraw/zinc/96/30/56/442963056.db2.gz DRRKYFPVMPHSLA-NSHDSACASA-N 1 2 332.364 1.723 20 5 EDBDLO CCNC(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000198192767 443037692 /nfs/dbraw/zinc/03/76/92/443037692.db2.gz QUMHLIAHWCLWJO-JTQLQIEISA-N 1 2 331.332 1.035 20 5 EDBDLO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c2cccnc21 ZINC000184585856 443044935 /nfs/dbraw/zinc/04/49/35/443044935.db2.gz OTCBKEKONAEVIO-LBPRGKRZSA-N 1 2 333.344 1.215 20 5 EDBDLO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184770127 443074058 /nfs/dbraw/zinc/07/40/58/443074058.db2.gz CJBZTQFVVHERAV-UHFFFAOYSA-N 1 2 336.392 1.010 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185136162 443145764 /nfs/dbraw/zinc/14/57/64/443145764.db2.gz FMBGOAFZUZXJRM-CLTRCRFRSA-N 1 2 347.824 1.886 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000185136162 443145766 /nfs/dbraw/zinc/14/57/66/443145766.db2.gz FMBGOAFZUZXJRM-CLTRCRFRSA-N 1 2 347.824 1.886 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)Cn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000266443306 443128610 /nfs/dbraw/zinc/12/86/10/443128610.db2.gz NETIURCVBYUNKR-ZDUSSCGKSA-N 1 2 345.359 1.127 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CO)C1 ZINC000266896838 443284065 /nfs/dbraw/zinc/28/40/65/443284065.db2.gz FICYVZSMSZXIQU-NXEZZACHSA-N 1 2 327.768 1.889 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000264657308 443363388 /nfs/dbraw/zinc/36/33/88/443363388.db2.gz CPTBGKRSYWSKIJ-UHFFFAOYSA-N 1 2 346.387 1.870 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278854559 443462301 /nfs/dbraw/zinc/46/23/01/443462301.db2.gz MDBOFXJVYWQQDU-GFCCVEGCSA-N 1 2 348.403 1.636 20 5 EDBDLO CNc1ccc(S(=O)(=O)N(C)Cc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000267782617 443576556 /nfs/dbraw/zinc/57/65/56/443576556.db2.gz NQGVGQWWBHCFKO-UHFFFAOYSA-N 1 2 339.377 1.191 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279851736 443632859 /nfs/dbraw/zinc/63/28/59/443632859.db2.gz SAVIDQVZVIYGAF-QMTHXVAHSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279851736 443632864 /nfs/dbraw/zinc/63/28/64/443632864.db2.gz SAVIDQVZVIYGAF-QMTHXVAHSA-N 1 2 337.376 1.633 20 5 EDBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283379492 443617631 /nfs/dbraw/zinc/61/76/31/443617631.db2.gz SWKUFYVXKCTPJF-YCDSQXFLSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283379492 443617634 /nfs/dbraw/zinc/61/76/34/443617634.db2.gz SWKUFYVXKCTPJF-YCDSQXFLSA-N 1 2 339.417 1.765 20 5 EDBDLO COC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000447405556 320141788 /nfs/dbraw/zinc/14/17/88/320141788.db2.gz PWBGZHCPEVJXDF-LBPRGKRZSA-N 1 2 337.376 1.395 20 5 EDBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451990243 320240832 /nfs/dbraw/zinc/24/08/32/320240832.db2.gz JCBHNCGMHOZHND-LLVKDONJSA-N 1 2 347.375 1.972 20 5 EDBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451990243 320240834 /nfs/dbraw/zinc/24/08/34/320240834.db2.gz JCBHNCGMHOZHND-LLVKDONJSA-N 1 2 347.375 1.972 20 5 EDBDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298213443 443721904 /nfs/dbraw/zinc/72/19/04/443721904.db2.gz ZIFHDMCIVDLDIU-CYBMUJFWSA-N 1 2 335.408 1.417 20 5 EDBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000276488504 443723205 /nfs/dbraw/zinc/72/32/05/443723205.db2.gz UWGJTFMOVXJJIS-OAHLLOKOSA-N 1 2 335.360 1.773 20 5 EDBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000280817481 443749663 /nfs/dbraw/zinc/74/96/63/443749663.db2.gz RHTXCTXDQSOJTM-GFCCVEGCSA-N 1 2 335.360 1.095 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281268655 443864083 /nfs/dbraw/zinc/86/40/83/443864083.db2.gz HWPWZUIOCVLMPD-RISCZKNCSA-N 1 2 348.359 1.272 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281268655 443864084 /nfs/dbraw/zinc/86/40/84/443864084.db2.gz HWPWZUIOCVLMPD-RISCZKNCSA-N 1 2 348.359 1.272 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293221620 443955759 /nfs/dbraw/zinc/95/57/59/443955759.db2.gz RQWVXTNHAGADCO-GFCCVEGCSA-N 1 2 337.376 1.779 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293221620 443955762 /nfs/dbraw/zinc/95/57/62/443955762.db2.gz RQWVXTNHAGADCO-GFCCVEGCSA-N 1 2 337.376 1.779 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293221625 443955971 /nfs/dbraw/zinc/95/59/71/443955971.db2.gz RQWVXTNHAGADCO-LBPRGKRZSA-N 1 2 337.376 1.779 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293221625 443955973 /nfs/dbraw/zinc/95/59/73/443955973.db2.gz RQWVXTNHAGADCO-LBPRGKRZSA-N 1 2 337.376 1.779 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000293226901 443956696 /nfs/dbraw/zinc/95/66/96/443956696.db2.gz SAFDWHOVRDSWDT-CQSZACIVSA-N 1 2 333.388 1.922 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000563898429 321115158 /nfs/dbraw/zinc/11/51/58/321115158.db2.gz JOSWPTYYBQTDAL-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282169483 444104418 /nfs/dbraw/zinc/10/44/18/444104418.db2.gz DVEXGUBMTRZGEY-ZDUSSCGKSA-N 1 2 328.376 1.678 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282169483 444104421 /nfs/dbraw/zinc/10/44/21/444104421.db2.gz DVEXGUBMTRZGEY-ZDUSSCGKSA-N 1 2 328.376 1.678 20 5 EDBDLO O=C(CC[N@@H+]1CCOC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000282201307 444113008 /nfs/dbraw/zinc/11/30/08/444113008.db2.gz XEPQQANHMCMYTI-MRXNPFEDSA-N 1 2 335.360 1.415 20 5 EDBDLO O=C(CC[N@H+]1CCOC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000282201307 444113011 /nfs/dbraw/zinc/11/30/11/444113011.db2.gz XEPQQANHMCMYTI-MRXNPFEDSA-N 1 2 335.360 1.415 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285869119 444135839 /nfs/dbraw/zinc/13/58/39/444135839.db2.gz IYBCPBWNOGNHAN-BBRMVZONSA-N 1 2 335.404 1.898 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000573222604 321445181 /nfs/dbraw/zinc/44/51/81/321445181.db2.gz YKJQWUODWXVBBO-UHFFFAOYSA-N 1 2 339.417 1.680 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981759 444168733 /nfs/dbraw/zinc/16/87/33/444168733.db2.gz OAYSHZQFYYDIPL-UONOGXRCSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981759 444168737 /nfs/dbraw/zinc/16/87/37/444168737.db2.gz OAYSHZQFYYDIPL-UONOGXRCSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981759 444168739 /nfs/dbraw/zinc/16/87/39/444168739.db2.gz OAYSHZQFYYDIPL-UONOGXRCSA-N 1 2 348.403 1.328 20 5 EDBDLO Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000305325238 444268658 /nfs/dbraw/zinc/26/86/58/444268658.db2.gz MAZZUMFJJCMFAV-HIFRSBDPSA-N 1 2 336.348 1.127 20 5 EDBDLO Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000305325238 444268659 /nfs/dbraw/zinc/26/86/59/444268659.db2.gz MAZZUMFJJCMFAV-HIFRSBDPSA-N 1 2 336.348 1.127 20 5 EDBDLO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000290597545 444299362 /nfs/dbraw/zinc/29/93/62/444299362.db2.gz VSQYYDVSMZFIHZ-AWEZNQCLSA-N 1 2 342.417 1.539 20 5 EDBDLO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000290597545 444299365 /nfs/dbraw/zinc/29/93/65/444299365.db2.gz VSQYYDVSMZFIHZ-AWEZNQCLSA-N 1 2 342.417 1.539 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000298014090 444387392 /nfs/dbraw/zinc/38/73/92/444387392.db2.gz CQEBZDDSGAGKLZ-ZDUSSCGKSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000298014090 444387398 /nfs/dbraw/zinc/38/73/98/444387398.db2.gz CQEBZDDSGAGKLZ-ZDUSSCGKSA-N 1 2 334.376 1.394 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000343722743 444546520 /nfs/dbraw/zinc/54/65/20/444546520.db2.gz MQHQVRDCCRGUON-GXTWGEPZSA-N 1 2 332.360 1.895 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000343722743 444546521 /nfs/dbraw/zinc/54/65/21/444546521.db2.gz MQHQVRDCCRGUON-GXTWGEPZSA-N 1 2 332.360 1.895 20 5 EDBDLO COc1c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342259486 444594528 /nfs/dbraw/zinc/59/45/28/444594528.db2.gz ZWQLYYODUOSWNS-QWHCGFSZSA-N 1 2 349.387 1.539 20 5 EDBDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000336879031 444826295 /nfs/dbraw/zinc/82/62/95/444826295.db2.gz KVSVOFHMGSWRGQ-CYBMUJFWSA-N 1 2 332.316 1.140 20 5 EDBDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000336879031 444826301 /nfs/dbraw/zinc/82/63/01/444826301.db2.gz KVSVOFHMGSWRGQ-CYBMUJFWSA-N 1 2 332.316 1.140 20 5 EDBDLO COc1cc(C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000344222436 444847722 /nfs/dbraw/zinc/84/77/22/444847722.db2.gz DRPUSVSWKPGLOY-AWEZNQCLSA-N 1 2 347.375 1.784 20 5 EDBDLO COc1cc(C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000344222436 444847726 /nfs/dbraw/zinc/84/77/26/444847726.db2.gz DRPUSVSWKPGLOY-AWEZNQCLSA-N 1 2 347.375 1.784 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CC[C@H](O)C1 ZINC000619156888 450419505 /nfs/dbraw/zinc/41/95/05/450419505.db2.gz IGTZYFGYYZFNKQ-HIFRSBDPSA-N 1 2 335.404 2.000 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339067348 445017520 /nfs/dbraw/zinc/01/75/20/445017520.db2.gz LSUWQAXEKYWJLT-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000343143422 445092439 /nfs/dbraw/zinc/09/24/39/445092439.db2.gz QCBAMFUJQZCOEE-GFCCVEGCSA-N 1 2 340.343 1.796 20 5 EDBDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000339272443 445128149 /nfs/dbraw/zinc/12/81/49/445128149.db2.gz USPLBULFOBGYII-OAHLLOKOSA-N 1 2 348.403 1.770 20 5 EDBDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000339272443 445128153 /nfs/dbraw/zinc/12/81/53/445128153.db2.gz USPLBULFOBGYII-OAHLLOKOSA-N 1 2 348.403 1.770 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343290028 445183166 /nfs/dbraw/zinc/18/31/66/445183166.db2.gz VHYVQTNZYBMICV-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000348303456 445248616 /nfs/dbraw/zinc/24/86/16/445248616.db2.gz MUCQSJZXTRDKDP-GFCCVEGCSA-N 1 2 327.406 1.536 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1C ZINC000348303456 445248621 /nfs/dbraw/zinc/24/86/21/445248621.db2.gz MUCQSJZXTRDKDP-GFCCVEGCSA-N 1 2 327.406 1.536 20 5 EDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000351639405 445252807 /nfs/dbraw/zinc/25/28/07/445252807.db2.gz ZOIVYWIXKJXDBN-GFCCVEGCSA-N 1 2 338.339 1.672 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354668783 445333408 /nfs/dbraw/zinc/33/34/08/445333408.db2.gz IOUHHIXXNNSIAR-ZDUSSCGKSA-N 1 2 348.403 1.548 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354668783 445333409 /nfs/dbraw/zinc/33/34/09/445333409.db2.gz IOUHHIXXNNSIAR-ZDUSSCGKSA-N 1 2 348.403 1.548 20 5 EDBDLO COC(=O)c1cc(C(=O)NCc2c[nH+]ccc2OC)cc([N+](=O)[O-])c1 ZINC000348283235 445338424 /nfs/dbraw/zinc/33/84/24/445338424.db2.gz ULYHNFKOXHXXGS-UHFFFAOYSA-N 1 2 345.311 1.715 20 5 EDBDLO COC(=O)COc1ccc(C[NH+]2CC3(C2)CCOC3)cc1[N+](=O)[O-] ZINC000354771312 445377946 /nfs/dbraw/zinc/37/79/46/445377946.db2.gz LBBXPCMABMUQQU-UHFFFAOYSA-N 1 2 336.344 1.369 20 5 EDBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1c([N+](=O)[O-])ncn1C ZINC000355907198 445525943 /nfs/dbraw/zinc/52/59/43/445525943.db2.gz APSFXULBWPNGRW-UHFFFAOYSA-N 1 2 332.286 1.719 20 5 EDBDLO 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340.405 1.239 20 5 EDBDLO COC(=O)C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599054190 449712266 /nfs/dbraw/zinc/71/22/66/449712266.db2.gz HFDUIJZUCNPKPT-LBPRGKRZSA-N 1 2 331.328 1.911 20 5 EDBDLO C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1[nH+]ccn1C ZINC000596936366 449724912 /nfs/dbraw/zinc/72/49/12/449724912.db2.gz KHZSZLSPSWZXSA-LLVKDONJSA-N 1 2 345.359 1.862 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093753 449728392 /nfs/dbraw/zinc/72/83/92/449728392.db2.gz RIDIBROXBFBUIG-NEPJUHHUSA-N 1 2 331.328 1.503 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000599000206 449688970 /nfs/dbraw/zinc/68/89/70/449688970.db2.gz LYMQIZDBDUBGDS-JSGCOSHPSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000599000206 449688976 /nfs/dbraw/zinc/68/89/76/449688976.db2.gz LYMQIZDBDUBGDS-JSGCOSHPSA-N 1 2 336.392 1.594 20 5 EDBDLO O=[N+]([O-])c1ccccc1CN1CC[NH+](CCc2cnccn2)CC1 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COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ncc[nH]1 ZINC000595400680 450114485 /nfs/dbraw/zinc/11/44/85/450114485.db2.gz ZGILKQOKSZDEMO-UHFFFAOYSA-N 1 2 333.348 1.787 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599699341 450162589 /nfs/dbraw/zinc/16/25/89/450162589.db2.gz FNNRFCJUGXFTAW-HNNXBMFYSA-N 1 2 348.403 1.832 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599699341 450162597 /nfs/dbraw/zinc/16/25/97/450162597.db2.gz FNNRFCJUGXFTAW-HNNXBMFYSA-N 1 2 348.403 1.832 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597707421 450210384 /nfs/dbraw/zinc/21/03/84/450210384.db2.gz QKGFYXBLKWHESZ-AWEZNQCLSA-N 1 2 333.388 1.840 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ncns3)CC2)c1 ZINC000595515086 450199240 /nfs/dbraw/zinc/19/92/40/450199240.db2.gz HLDJWAWOSUKGGE-UHFFFAOYSA-N 1 2 335.389 1.647 20 5 EDBDLO COc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)n1 ZINC000619620004 450284774 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1 2 336.392 1.457 20 5 EDBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCn2cc[nH+]c2C1 ZINC000732017485 578687515 /nfs/dbraw/zinc/68/75/15/578687515.db2.gz CTBUIZUZYLWOBI-UHFFFAOYSA-N 1 2 327.344 1.704 20 5 EDBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000761126060 580049103 /nfs/dbraw/zinc/04/91/03/580049103.db2.gz QAFMQDLUEAYSDR-NOZJJQNGSA-N 1 2 327.768 1.889 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1O ZINC000761126060 580049104 /nfs/dbraw/zinc/04/91/04/580049104.db2.gz QAFMQDLUEAYSDR-NOZJJQNGSA-N 1 2 327.768 1.889 20 5 EDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745082948 579536929 /nfs/dbraw/zinc/53/69/29/579536929.db2.gz SHKIJHPXQQIBQN-HUUCEWRRSA-N 1 2 347.371 1.728 20 5 EDBDLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000745082948 579536931 /nfs/dbraw/zinc/53/69/31/579536931.db2.gz SHKIJHPXQQIBQN-HUUCEWRRSA-N 1 2 347.371 1.728 20 5 EDBDLO 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CC(C)[C@]1(C)NC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795644794 580932530 /nfs/dbraw/zinc/93/25/30/580932530.db2.gz PKIKCCRMNFLFDV-KRWDZBQOSA-N 1 2 348.403 1.993 20 5 EDBDLO O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000891039117 590925682 /nfs/dbraw/zinc/92/56/82/590925682.db2.gz LLBUINSPIATPCK-KGLIPLIRSA-N 1 2 342.355 1.935 20 5 EDBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000892390628 591007413 /nfs/dbraw/zinc/00/74/13/591007413.db2.gz ILGONCHCCXJNAX-UHFFFAOYSA-N 1 2 332.364 1.054 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](O)[C@H](F)C1 ZINC000897377862 591354248 /nfs/dbraw/zinc/35/42/48/591354248.db2.gz JCXKWZHOBUHCHS-CZUORRHYSA-N 1 2 339.367 1.336 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898486452 591382248 /nfs/dbraw/zinc/38/22/48/591382248.db2.gz UKJDCSJUOHBJTR-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898486452 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/nfs/dbraw/zinc/02/84/58/592028458.db2.gz WYNROHRFADPWCQ-CQSZACIVSA-N 1 2 345.359 1.648 20 5 EDBDLO Cn1ccc(-n2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])nn2)n1 ZINC000906302870 592788683 /nfs/dbraw/zinc/78/86/83/592788683.db2.gz UAGUVRJRJAVTKG-UHFFFAOYSA-N 1 2 341.375 1.584 20 5 EDBDLO Cn1ccc(-n2cc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])nn2)n1 ZINC000906302870 592788686 /nfs/dbraw/zinc/78/86/86/592788686.db2.gz UAGUVRJRJAVTKG-UHFFFAOYSA-N 1 2 341.375 1.584 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840119084 593202819 /nfs/dbraw/zinc/20/28/19/593202819.db2.gz PGVCJSAPBNSDIC-ZDUSSCGKSA-N 1 2 327.291 1.307 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@@](O)(C(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840119084 593202821 /nfs/dbraw/zinc/20/28/21/593202821.db2.gz PGVCJSAPBNSDIC-ZDUSSCGKSA-N 1 2 327.291 1.307 20 5 EDBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000839655073 593357985 /nfs/dbraw/zinc/35/79/85/593357985.db2.gz QUPAIYVPPAMWLQ-APHBMKBZSA-N 1 2 333.388 1.566 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC[NH+]2CCC2)cc1Cl ZINC000809828000 593362839 /nfs/dbraw/zinc/36/28/39/593362839.db2.gz GFLGTKORSCAVFR-UHFFFAOYSA-N 1 2 337.760 1.371 20 5 EDBDLO Cc1cnn([C@@H]2CC[N@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000811798157 593482590 /nfs/dbraw/zinc/48/25/90/593482590.db2.gz IBUYNGODEBMKIT-GFCCVEGCSA-N 1 2 343.343 1.912 20 5 EDBDLO Cc1cnn([C@@H]2CC[N@@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000811798157 593482591 /nfs/dbraw/zinc/48/25/91/593482591.db2.gz IBUYNGODEBMKIT-GFCCVEGCSA-N 1 2 343.343 1.912 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830886424 594505484 /nfs/dbraw/zinc/50/54/84/594505484.db2.gz PKQQVFKDMOFTNZ-JQWIXIFHSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830886424 594505485 /nfs/dbraw/zinc/50/54/85/594505485.db2.gz PKQQVFKDMOFTNZ-JQWIXIFHSA-N 1 2 328.752 1.604 20 5 EDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000826571030 594530243 /nfs/dbraw/zinc/53/02/43/594530243.db2.gz CDTSCRSGDWNHRT-GHMZBOCLSA-N 1 2 325.340 1.573 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC000826703980 594559717 /nfs/dbraw/zinc/55/97/17/594559717.db2.gz OGLKHWUQNWJCMX-ZDUSSCGKSA-N 1 2 329.360 1.728 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000826703980 594559719 /nfs/dbraw/zinc/55/97/19/594559719.db2.gz OGLKHWUQNWJCMX-ZDUSSCGKSA-N 1 2 329.360 1.728 20 5 EDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000831738612 594697753 /nfs/dbraw/zinc/69/77/53/594697753.db2.gz MOMIDXXBOXZMBH-VIFPVBQESA-N 1 2 326.309 1.354 20 5 EDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000832419802 594749135 /nfs/dbraw/zinc/74/91/35/594749135.db2.gz CZUSUJOVXLZLDY-IONNQARKSA-N 1 2 328.375 1.837 20 5 EDBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000832427093 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ATKFFVMRJZMDNE-NSHDSACASA-N 1 2 347.375 1.796 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539643 267384642 /nfs/dbraw/zinc/38/46/42/267384642.db2.gz ATKFFVMRJZMDNE-NSHDSACASA-N 1 2 347.375 1.796 20 5 EDBDLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000275311996 268320487 /nfs/dbraw/zinc/32/04/87/268320487.db2.gz OOCPUTGAEORTFN-DGCLKSJQSA-N 1 2 334.332 1.473 20 5 EDBDLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000275311996 268320488 /nfs/dbraw/zinc/32/04/88/268320488.db2.gz OOCPUTGAEORTFN-DGCLKSJQSA-N 1 2 334.332 1.473 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)c1 ZINC000275591459 268364676 /nfs/dbraw/zinc/36/46/76/268364676.db2.gz HUEVWFUZTREGJS-ZDUSSCGKSA-N 1 2 342.403 1.986 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)c1 ZINC000275591459 268364678 /nfs/dbraw/zinc/36/46/78/268364678.db2.gz HUEVWFUZTREGJS-ZDUSSCGKSA-N 1 2 342.403 1.986 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NCC(F)(F)CO)c1ccc([N+](=O)[O-])cc1 ZINC000274325275 273083726 /nfs/dbraw/zinc/08/37/26/273083726.db2.gz BVDUCEPSSMEEDH-GFCCVEGCSA-N 1 2 326.303 1.635 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000186823826 272947530 /nfs/dbraw/zinc/94/75/30/272947530.db2.gz ZDCDPWBIBPMURN-SNVBAGLBSA-N 1 2 327.768 1.387 20 5 EDBDLO COC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000279160937 273284814 /nfs/dbraw/zinc/28/48/14/273284814.db2.gz ZYRKBRFUNYLEJT-UONOGXRCSA-N 1 2 348.359 1.928 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284484217 274219041 /nfs/dbraw/zinc/21/90/41/274219041.db2.gz AQXMKXAKYVTDSF-CQSZACIVSA-N 1 2 347.375 1.784 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284484217 274219043 /nfs/dbraw/zinc/21/90/43/274219043.db2.gz AQXMKXAKYVTDSF-CQSZACIVSA-N 1 2 347.375 1.784 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286361798 287989206 /nfs/dbraw/zinc/98/92/06/287989206.db2.gz NDZOKERRKNYGNP-MNOVXSKESA-N 1 2 337.405 1.603 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286513856 288024504 /nfs/dbraw/zinc/02/45/04/288024504.db2.gz ZDNZODKFMLQKIQ-STQMWFEESA-N 1 2 332.404 1.862 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000287453752 288241667 /nfs/dbraw/zinc/24/16/67/288241667.db2.gz RSBZKHSQMIJALX-LBPRGKRZSA-N 1 2 336.392 1.348 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000287453752 288241668 /nfs/dbraw/zinc/24/16/68/288241668.db2.gz RSBZKHSQMIJALX-LBPRGKRZSA-N 1 2 336.392 1.348 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287539876 288261136 /nfs/dbraw/zinc/26/11/36/288261136.db2.gz VXNOQTKURCWLBF-UONOGXRCSA-N 1 2 333.388 1.838 20 5 EDBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCn2c[nH+]cc2C1 ZINC000291180995 289013798 /nfs/dbraw/zinc/01/37/98/289013798.db2.gz SMHSFUOJKMECMD-HNNXBMFYSA-N 1 2 341.327 1.327 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000292140261 289271382 /nfs/dbraw/zinc/27/13/82/289271382.db2.gz UDCBXMVMSUXVLX-UHFFFAOYSA-N 1 2 333.323 1.652 20 5 EDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000420475489 304763334 /nfs/dbraw/zinc/76/33/34/304763334.db2.gz WZKKEIPCVAJUAO-LLVKDONJSA-N 1 2 349.359 1.259 20 5 EDBDLO C[C@H]1CC[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000422029737 447316568 /nfs/dbraw/zinc/31/65/68/447316568.db2.gz IYKLBMRTRIRONM-WCQYABFASA-N 1 2 330.344 1.766 20 5 EDBDLO O=C(CCC(=O)N1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000295635339 303245326 /nfs/dbraw/zinc/24/53/26/303245326.db2.gz CBOAOGHDWLUGRB-UHFFFAOYSA-N 1 2 328.328 1.797 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296982288 303351316 /nfs/dbraw/zinc/35/13/16/303351316.db2.gz DVVOMLQJVOJLTD-UHFFFAOYSA-N 1 2 345.407 1.366 20 5 EDBDLO CC(C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448595119 447331504 /nfs/dbraw/zinc/33/15/04/447331504.db2.gz PLSFNTJHDAALBF-UHFFFAOYSA-N 1 2 331.332 1.035 20 5 EDBDLO C[C@@H]1CN(c2cc(CNc3ncc([N+](=O)[O-])c(N)n3)cc[nH+]2)CCO1 ZINC000301458354 303679320 /nfs/dbraw/zinc/67/93/20/303679320.db2.gz CSVPXEGHZRPLMK-SNVBAGLBSA-N 1 2 345.363 1.199 20 5 EDBDLO Cc1c[nH+]ccc1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301881255 303701283 /nfs/dbraw/zinc/70/12/83/303701283.db2.gz ZXARNFXPIUSBMY-UHFFFAOYSA-N 1 2 336.373 1.600 20 5 EDBDLO CC(C)NC(=O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353395489 303816471 /nfs/dbraw/zinc/81/64/71/303816471.db2.gz PUVJODSVQHAXCF-MRXNPFEDSA-N 1 2 345.403 1.922 20 5 EDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371699380 303842957 /nfs/dbraw/zinc/84/29/57/303842957.db2.gz GGVDAQTXBINQGG-UHFFFAOYSA-N 1 2 336.373 1.445 20 5 EDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428365454 305009523 /nfs/dbraw/zinc/00/95/23/305009523.db2.gz BRYAJOHJPBSMJB-JTQLQIEISA-N 1 2 344.327 1.307 20 5 EDBDLO CCNc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000428896860 305019484 /nfs/dbraw/zinc/01/94/84/305019484.db2.gz OAWJDHOYOZIECB-AWEZNQCLSA-N 1 2 348.403 1.620 20 5 EDBDLO CCNc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000428896860 305019485 /nfs/dbraw/zinc/01/94/85/305019485.db2.gz OAWJDHOYOZIECB-AWEZNQCLSA-N 1 2 348.403 1.620 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000430196405 305047442 /nfs/dbraw/zinc/04/74/42/305047442.db2.gz RCDRRYBOCLMWPH-UHFFFAOYSA-N 1 2 331.376 1.644 20 5 EDBDLO Cc1cc(OCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000432389008 305092716 /nfs/dbraw/zinc/09/27/16/305092716.db2.gz STMMZEUZMVGJOS-GFCCVEGCSA-N 1 2 330.344 1.610 20 5 EDBDLO Cc1cc(N[C@H]2CC[S@](=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000433444411 305109277 /nfs/dbraw/zinc/10/92/77/305109277.db2.gz REBVVROSZUHWDT-MYODQAERSA-N 1 2 332.385 1.715 20 5 EDBDLO COC(=O)Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000449243065 305309286 /nfs/dbraw/zinc/30/92/86/305309286.db2.gz HVFNJQFGWBSPDT-UHFFFAOYSA-N 1 2 333.348 1.384 20 5 EDBDLO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H](O)C[NH+]1CCOCC1 ZINC000450222261 305327668 /nfs/dbraw/zinc/32/76/68/305327668.db2.gz BCWDNDCUYULESS-GFCCVEGCSA-N 1 2 332.360 1.248 20 5 EDBDLO C[C@@]1(C(N)=O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451380236 305342474 /nfs/dbraw/zinc/34/24/74/305342474.db2.gz VIUNBRZSNZGFDX-MRXNPFEDSA-N 1 2 343.343 1.118 20 5 EDBDLO C[C@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000451828753 305371404 /nfs/dbraw/zinc/37/14/04/305371404.db2.gz HYUCIPNAZOLBQT-JTQLQIEISA-N 1 2 331.319 1.871 20 5 EDBDLO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000451828753 305371405 /nfs/dbraw/zinc/37/14/05/305371405.db2.gz HYUCIPNAZOLBQT-JTQLQIEISA-N 1 2 331.319 1.871 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000538279778 306030382 /nfs/dbraw/zinc/03/03/82/306030382.db2.gz MHEJLSCNPOJWNV-UHFFFAOYSA-N 1 2 338.389 1.858 20 5 EDBDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599745 441115042 /nfs/dbraw/zinc/11/50/42/441115042.db2.gz AIMUKBXDOPPJDI-OCCSQVGLSA-N 1 2 348.403 1.139 20 5 EDBDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599745 441115044 /nfs/dbraw/zinc/11/50/44/441115044.db2.gz AIMUKBXDOPPJDI-OCCSQVGLSA-N 1 2 348.403 1.139 20 5 EDBDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742855 441223449 /nfs/dbraw/zinc/22/34/49/441223449.db2.gz XEDJSPIHSCCZSW-AWEZNQCLSA-N 1 2 334.420 1.878 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026227871 441371025 /nfs/dbraw/zinc/37/10/25/441371025.db2.gz MRCUIYUFLAYBOZ-UHFFFAOYSA-N 1 2 345.783 1.782 20 5 EDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088591607 441514438 /nfs/dbraw/zinc/51/44/38/441514438.db2.gz MWSDADQVUBJBCD-OAHLLOKOSA-N 1 2 346.431 1.723 20 5 EDBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088591607 441514440 /nfs/dbraw/zinc/51/44/40/441514440.db2.gz MWSDADQVUBJBCD-OAHLLOKOSA-N 1 2 346.431 1.723 20 5 EDBDLO NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090069056 441618624 /nfs/dbraw/zinc/61/86/24/441618624.db2.gz OGDNOVUXVKWFTK-UHFFFAOYSA-N 1 2 341.371 1.264 20 5 EDBDLO Cc1c(C(=O)NCc2[nH]cc[nH+]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000114337916 441645767 /nfs/dbraw/zinc/64/57/67/441645767.db2.gz JQSCOUUTYFCSAC-UHFFFAOYSA-N 1 2 327.304 1.137 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000067784857 441680112 /nfs/dbraw/zinc/68/01/12/441680112.db2.gz CFCJCTJBEWNQBT-CQSZACIVSA-N 1 2 349.387 1.540 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115517198 441750726 /nfs/dbraw/zinc/75/07/26/441750726.db2.gz YVDDOXQQGGKOSP-UHFFFAOYSA-N 1 2 344.419 1.971 20 5 EDBDLO 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ZINC000174497350 441931429 /nfs/dbraw/zinc/93/14/29/441931429.db2.gz ULICHXKDYGMEBS-OAHLLOKOSA-N 1 2 349.387 1.297 20 5 EDBDLO COc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000078510907 441939879 /nfs/dbraw/zinc/93/98/79/441939879.db2.gz YOMGRPMPWNZEBA-NWDGAFQWSA-N 1 2 337.376 1.442 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000161997503 442054040 /nfs/dbraw/zinc/05/40/40/442054040.db2.gz NACTUCKCKWIWNU-UHFFFAOYSA-N 1 2 342.359 1.807 20 5 EDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120662005 442113458 /nfs/dbraw/zinc/11/34/58/442113458.db2.gz KFWKMSDNJVVJFQ-UHFFFAOYSA-N 1 2 336.373 1.817 20 5 EDBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000170834862 442272277 /nfs/dbraw/zinc/27/22/77/442272277.db2.gz LPAKPUZDTLILGM-LBPRGKRZSA-N 1 2 328.390 1.612 20 5 EDBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000170834862 442272280 /nfs/dbraw/zinc/27/22/80/442272280.db2.gz 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443870786 /nfs/dbraw/zinc/87/07/86/443870786.db2.gz JGQFSOGYJGXXQK-UHFFFAOYSA-N 1 2 342.355 1.717 20 5 EDBDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285804623 444112542 /nfs/dbraw/zinc/11/25/42/444112542.db2.gz VLVFRJOAUUWXGP-ZFWWWQNUSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285804623 444112547 /nfs/dbraw/zinc/11/25/47/444112547.db2.gz VLVFRJOAUUWXGP-ZFWWWQNUSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1cc(N2CC(S(C)(=O)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000337940124 444465734 /nfs/dbraw/zinc/46/57/34/444465734.db2.gz BYKJEBGXBQUNEW-UHFFFAOYSA-N 1 2 348.384 1.593 20 5 EDBDLO CCC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000343990332 444713249 /nfs/dbraw/zinc/71/32/49/444713249.db2.gz OGKHQSMXQAHXAB-CYBMUJFWSA-N 1 2 329.360 1.848 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000338425951 444687542 /nfs/dbraw/zinc/68/75/42/444687542.db2.gz 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O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342943458 444956524 /nfs/dbraw/zinc/95/65/24/444956524.db2.gz DBYCLASCILALRN-GFCCVEGCSA-N 1 2 344.371 1.669 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342943458 444956527 /nfs/dbraw/zinc/95/65/27/444956527.db2.gz DBYCLASCILALRN-GFCCVEGCSA-N 1 2 344.371 1.669 20 5 EDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330823719 445154806 /nfs/dbraw/zinc/15/48/06/445154806.db2.gz QHQHCIAZKCCVCE-NEPJUHHUSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330823719 445154810 /nfs/dbraw/zinc/15/48/10/445154810.db2.gz QHQHCIAZKCCVCE-NEPJUHHUSA-N 1 2 327.406 1.449 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCOCC1 ZINC000348295402 445342314 /nfs/dbraw/zinc/34/23/14/445342314.db2.gz PNOZDFRSXDITFN-ZDUSSCGKSA-N 1 2 334.332 1.819 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351808671 445328483 /nfs/dbraw/zinc/32/84/83/445328483.db2.gz KECNXGKLCCKRIK-VYUIOLGVSA-N 1 2 327.768 1.888 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351808671 445328486 /nfs/dbraw/zinc/32/84/86/445328486.db2.gz KECNXGKLCCKRIK-VYUIOLGVSA-N 1 2 327.768 1.888 20 5 EDBDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000362647849 445478187 /nfs/dbraw/zinc/47/81/87/445478187.db2.gz HROAZGDOWHIZIH-UHFFFAOYSA-N 1 2 343.387 1.685 20 5 EDBDLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000362647849 445478188 /nfs/dbraw/zinc/47/81/88/445478188.db2.gz HROAZGDOWHIZIH-UHFFFAOYSA-N 1 2 343.387 1.685 20 5 EDBDLO COc1ccccc1C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355952258 445542927 /nfs/dbraw/zinc/54/29/27/445542927.db2.gz ZYWQWXWAEPWVGM-UHFFFAOYSA-N 1 2 345.403 1.655 20 5 EDBDLO COC[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000353674194 445702420 /nfs/dbraw/zinc/70/24/20/445702420.db2.gz SZLOQHJXFJMCEI-LSDHHAIUSA-N 1 2 334.376 1.669 20 5 EDBDLO Cn1c(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000350408916 445824634 /nfs/dbraw/zinc/82/46/34/445824634.db2.gz VAHOQWMOBUESTK-PWSUYJOCSA-N 1 2 333.348 1.909 20 5 EDBDLO Cn1c(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000350408916 445824638 /nfs/dbraw/zinc/82/46/38/445824638.db2.gz VAHOQWMOBUESTK-PWSUYJOCSA-N 1 2 333.348 1.909 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000350314655 445810252 /nfs/dbraw/zinc/81/02/52/445810252.db2.gz NVGGGECGQQKTKU-SECBINFHSA-N 1 2 344.780 1.812 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000350867438 445932899 /nfs/dbraw/zinc/93/28/99/445932899.db2.gz GXHVETYJLXMJFI-MNOVXSKESA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000350867438 445932903 /nfs/dbraw/zinc/93/29/03/445932903.db2.gz GXHVETYJLXMJFI-MNOVXSKESA-N 1 2 327.406 1.616 20 5 EDBDLO C[C@H]1CC[N@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354080651 445890874 /nfs/dbraw/zinc/89/08/74/445890874.db2.gz WFHXOAFKXWEXGO-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO C[C@H]1CC[N@@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000354080651 445890877 /nfs/dbraw/zinc/89/08/77/445890877.db2.gz WFHXOAFKXWEXGO-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO CNc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356778364 446009771 /nfs/dbraw/zinc/00/97/71/446009771.db2.gz NXFQGWISKZZFJN-TZMCWYRMSA-N 1 2 348.403 1.572 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000373361417 446181274 /nfs/dbraw/zinc/18/12/74/446181274.db2.gz UARMXCNCGGATGR-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000373361417 446181281 /nfs/dbraw/zinc/18/12/81/446181281.db2.gz UARMXCNCGGATGR-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000365592435 446264810 /nfs/dbraw/zinc/26/48/10/446264810.db2.gz NNZHBRFPBLSWEZ-LLVKDONJSA-N 1 2 336.373 1.393 20 5 EDBDLO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000366640546 446290377 /nfs/dbraw/zinc/29/03/77/446290377.db2.gz KWVNILOFTWGLQU-LBPRGKRZSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000366640546 446290381 /nfs/dbraw/zinc/29/03/81/446290381.db2.gz KWVNILOFTWGLQU-LBPRGKRZSA-N 1 2 325.752 1.643 20 5 EDBDLO CCn1nnc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453571238 446562001 /nfs/dbraw/zinc/56/20/01/446562001.db2.gz BPYHRANCOZOGMK-UHFFFAOYSA-N 1 2 331.380 1.232 20 5 EDBDLO [NH3+][C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1c(F)cccc1F ZINC000423828014 446717209 /nfs/dbraw/zinc/71/72/09/446717209.db2.gz PJPULUWTUUYDDX-OAHLLOKOSA-N 1 2 348.309 1.853 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc3ncc([N+](=O)[O-])n3n1)CCC2 ZINC000371339895 446788389 /nfs/dbraw/zinc/78/83/89/446788389.db2.gz YSLGLMMGKJTCJN-NSHDSACASA-N 1 2 327.348 2.132 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412042265 446804433 /nfs/dbraw/zinc/80/44/33/446804433.db2.gz NZZVNGHNYLVKDC-CMPLNLGQSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412042265 446804437 /nfs/dbraw/zinc/80/44/37/446804437.db2.gz NZZVNGHNYLVKDC-CMPLNLGQSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412042265 446804441 /nfs/dbraw/zinc/80/44/41/446804441.db2.gz NZZVNGHNYLVKDC-CMPLNLGQSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412042265 446804447 /nfs/dbraw/zinc/80/44/47/446804447.db2.gz NZZVNGHNYLVKDC-CMPLNLGQSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)[nH]1 ZINC000412047043 446808252 /nfs/dbraw/zinc/80/82/52/446808252.db2.gz UFRZKNVZHJPNQA-SNVBAGLBSA-N 1 2 327.348 1.887 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)[nH]1 ZINC000412047043 446808261 /nfs/dbraw/zinc/80/82/61/446808261.db2.gz UFRZKNVZHJPNQA-SNVBAGLBSA-N 1 2 327.348 1.887 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000412047043 446808267 /nfs/dbraw/zinc/80/82/67/446808267.db2.gz UFRZKNVZHJPNQA-SNVBAGLBSA-N 1 2 327.348 1.887 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000412047043 446808273 /nfs/dbraw/zinc/80/82/73/446808273.db2.gz UFRZKNVZHJPNQA-SNVBAGLBSA-N 1 2 327.348 1.887 20 5 EDBDLO CC[C@@H](F)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977518 446950205 /nfs/dbraw/zinc/95/02/05/446950205.db2.gz VSAHFCOUWDSAMY-LLVKDONJSA-N 1 2 333.385 1.553 20 5 EDBDLO CC[C@@H](F)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977518 446950211 /nfs/dbraw/zinc/95/02/11/446950211.db2.gz VSAHFCOUWDSAMY-LLVKDONJSA-N 1 2 333.385 1.553 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000375860713 447104884 /nfs/dbraw/zinc/10/48/84/447104884.db2.gz JORXQNOFHUYZFQ-GLQYFDAESA-N 1 2 331.372 1.857 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000375860713 447104886 /nfs/dbraw/zinc/10/48/86/447104886.db2.gz JORXQNOFHUYZFQ-GLQYFDAESA-N 1 2 331.372 1.857 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)o2)cc1 ZINC000447914552 447297500 /nfs/dbraw/zinc/29/75/00/447297500.db2.gz PFOCKYADDFWXBW-STQMWFEESA-N 1 2 334.332 1.274 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000416482944 447619616 /nfs/dbraw/zinc/61/96/16/447619616.db2.gz DVLGYSYDSAYEEU-CYBMUJFWSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000416482944 447619622 /nfs/dbraw/zinc/61/96/22/447619622.db2.gz DVLGYSYDSAYEEU-CYBMUJFWSA-N 1 2 341.433 1.926 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408084836 447626861 /nfs/dbraw/zinc/62/68/61/447626861.db2.gz UIIWHOFIOMTLRT-NXEZZACHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408084836 447626867 /nfs/dbraw/zinc/62/68/67/447626867.db2.gz UIIWHOFIOMTLRT-NXEZZACHSA-N 1 2 347.824 1.961 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000408081688 447628186 /nfs/dbraw/zinc/62/81/86/447628186.db2.gz FJKAPMPPPBFQEY-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000408081688 447628194 /nfs/dbraw/zinc/62/81/94/447628194.db2.gz FJKAPMPPPBFQEY-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1CO ZINC000451256167 447714103 /nfs/dbraw/zinc/71/41/03/447714103.db2.gz SPSCWIAZYFPTKF-IAQYHMDHSA-N 1 2 330.344 1.623 20 5 EDBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459715580 447750753 /nfs/dbraw/zinc/75/07/53/447750753.db2.gz LOWHDDFIBPSXKE-CQSZACIVSA-N 1 2 332.303 1.515 20 5 EDBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459715580 447750754 /nfs/dbraw/zinc/75/07/54/447750754.db2.gz LOWHDDFIBPSXKE-CQSZACIVSA-N 1 2 332.303 1.515 20 5 EDBDLO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000496628384 447836634 /nfs/dbraw/zinc/83/66/34/447836634.db2.gz XJJCEGSLJNMXRU-LLVKDONJSA-N 1 2 345.359 1.745 20 5 EDBDLO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000496628384 447836635 /nfs/dbraw/zinc/83/66/35/447836635.db2.gz XJJCEGSLJNMXRU-LLVKDONJSA-N 1 2 345.359 1.745 20 5 EDBDLO CO[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1OC ZINC000488047343 447840555 /nfs/dbraw/zinc/84/05/55/447840555.db2.gz WLARTLZOIONEHN-CHWSQXEVSA-N 1 2 343.767 1.532 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488562328 447848790 /nfs/dbraw/zinc/84/87/90/447848790.db2.gz RRZLBWMSIOXHHD-GFCCVEGCSA-N 1 2 344.375 1.517 20 5 EDBDLO CCc1cc(NCCNC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000496910413 448027974 /nfs/dbraw/zinc/02/79/74/448027974.db2.gz PAAQKJIRYLJYMS-UHFFFAOYSA-N 1 2 345.359 1.804 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492023664 448159330 /nfs/dbraw/zinc/15/93/30/448159330.db2.gz MVBHDRJMDKTUTO-LLVKDONJSA-N 1 2 336.373 1.393 20 5 EDBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505627649 448123226 /nfs/dbraw/zinc/12/32/26/448123226.db2.gz BEGKAQQKWYAGGV-CYBMUJFWSA-N 1 2 347.419 1.559 20 5 EDBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505640900 448123447 /nfs/dbraw/zinc/12/34/47/448123447.db2.gz SZPUFWVAUMGFDH-UHFFFAOYSA-N 1 2 326.316 1.493 20 5 EDBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000572751975 448456708 /nfs/dbraw/zinc/45/67/08/448456708.db2.gz XQJCJURSQTUKFL-SECBINFHSA-N 1 2 342.402 1.571 20 5 EDBDLO CN1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1=O ZINC000516843179 448479242 /nfs/dbraw/zinc/47/92/42/448479242.db2.gz OCLGSIGUUZMFCP-CYBMUJFWSA-N 1 2 345.359 1.697 20 5 EDBDLO CN1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1=O ZINC000516843179 448479249 /nfs/dbraw/zinc/47/92/49/448479249.db2.gz OCLGSIGUUZMFCP-CYBMUJFWSA-N 1 2 345.359 1.697 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130635 448700531 /nfs/dbraw/zinc/70/05/31/448700531.db2.gz ITTNDEFWADEXDY-LBPRGKRZSA-N 1 2 327.331 1.999 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130635 448700534 /nfs/dbraw/zinc/70/05/34/448700534.db2.gz ITTNDEFWADEXDY-LBPRGKRZSA-N 1 2 327.331 1.999 20 5 EDBDLO O=C(NCCc1cn[nH]c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000579776915 448873600 /nfs/dbraw/zinc/87/36/00/448873600.db2.gz ITHNSLAKZLJPAY-UHFFFAOYSA-N 1 2 326.316 1.476 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000574825846 448965957 /nfs/dbraw/zinc/96/59/57/448965957.db2.gz AZKVAIHPKQKCGM-NOZJJQNGSA-N 1 2 334.294 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000574825846 448965964 /nfs/dbraw/zinc/96/59/64/448965964.db2.gz AZKVAIHPKQKCGM-NOZJJQNGSA-N 1 2 334.294 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000574825851 448966274 /nfs/dbraw/zinc/96/62/74/448966274.db2.gz AZKVAIHPKQKCGM-TVQRCGJNSA-N 1 2 334.294 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000574825851 448966279 /nfs/dbraw/zinc/96/62/79/448966279.db2.gz AZKVAIHPKQKCGM-TVQRCGJNSA-N 1 2 334.294 1.789 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611083526 449162203 /nfs/dbraw/zinc/16/22/03/449162203.db2.gz CYOLHMYYWOLGEI-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611083526 449162205 /nfs/dbraw/zinc/16/22/05/449162205.db2.gz CYOLHMYYWOLGEI-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO O=C(N[C@@H](CO)C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597920725 449142940 /nfs/dbraw/zinc/14/29/40/449142940.db2.gz INKOZHYRHUJITA-ZDUSSCGKSA-N 1 2 330.344 1.671 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000597995006 449179908 /nfs/dbraw/zinc/17/99/08/449179908.db2.gz DBVUHXGWLSMPEX-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000597995006 449179910 /nfs/dbraw/zinc/17/99/10/449179910.db2.gz DBVUHXGWLSMPEX-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000597995003 449180107 /nfs/dbraw/zinc/18/01/07/449180107.db2.gz DBVUHXGWLSMPEX-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000597995003 449180113 /nfs/dbraw/zinc/18/01/13/449180113.db2.gz DBVUHXGWLSMPEX-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000611210480 449217228 /nfs/dbraw/zinc/21/72/28/449217228.db2.gz ISXVTIGSXZZSMO-LBPRGKRZSA-N 1 2 340.343 1.765 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597998035 449182374 /nfs/dbraw/zinc/18/23/74/449182374.db2.gz OKYCDIFHUZALJW-CHWSQXEVSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597998035 449182378 /nfs/dbraw/zinc/18/23/78/449182378.db2.gz OKYCDIFHUZALJW-CHWSQXEVSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)CO1 ZINC000597999948 449185567 /nfs/dbraw/zinc/18/55/67/449185567.db2.gz TWCBORFIKFDIBU-RYUDHWBXSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)CO1 ZINC000597999948 449185570 /nfs/dbraw/zinc/18/55/70/449185570.db2.gz TWCBORFIKFDIBU-RYUDHWBXSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@H]1CC(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590671003 449239104 /nfs/dbraw/zinc/23/91/04/449239104.db2.gz FWFCOEGBQZHVKO-NSHDSACASA-N 1 2 343.343 1.131 20 5 EDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000590758971 449276929 /nfs/dbraw/zinc/27/69/29/449276929.db2.gz RJLGCMLCVZHFER-CYBMUJFWSA-N 1 2 342.355 1.885 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000611616415 449360268 /nfs/dbraw/zinc/36/02/68/449360268.db2.gz MVWCWPFAEPVEOQ-UHFFFAOYSA-N 1 2 330.392 1.662 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000598449525 449400076 /nfs/dbraw/zinc/40/00/76/449400076.db2.gz SFRTZJAYAAOVDH-PXAZEXFGSA-N 1 2 344.371 1.871 20 5 EDBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000596158546 449389410 /nfs/dbraw/zinc/38/94/10/449389410.db2.gz YPQMAQQSLWIOLJ-ABAIWWIYSA-N 1 2 329.360 1.978 20 5 EDBDLO CNC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000596247949 449438908 /nfs/dbraw/zinc/43/89/08/449438908.db2.gz UGRVZTFOWKSXGJ-CQSZACIVSA-N 1 2 348.403 1.255 20 5 EDBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602300036 449500163 /nfs/dbraw/zinc/50/01/63/449500163.db2.gz JJCDECZFYUUNSK-MRXNPFEDSA-N 1 2 333.388 1.807 20 5 EDBDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602300036 449500164 /nfs/dbraw/zinc/50/01/64/449500164.db2.gz JJCDECZFYUUNSK-MRXNPFEDSA-N 1 2 333.388 1.807 20 5 EDBDLO COc1cc[nH+]cc1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598628353 449506137 /nfs/dbraw/zinc/50/61/37/449506137.db2.gz PUZRSQJAJZRPLH-UHFFFAOYSA-N 1 2 346.347 1.237 20 5 EDBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598633841 449509360 /nfs/dbraw/zinc/50/93/60/449509360.db2.gz CMYFAVKXBLMFAO-GOEBONIOSA-N 1 2 349.431 1.882 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598785726 449599918 /nfs/dbraw/zinc/59/99/18/449599918.db2.gz PPRPVUPLLHCPMN-TZMCWYRMSA-N 1 2 344.371 1.871 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612345831 449652299 /nfs/dbraw/zinc/65/22/99/449652299.db2.gz MUXOWZVPODKGNV-ZENOOKHLSA-N 1 2 342.355 1.623 20 5 EDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598945696 449663748 /nfs/dbraw/zinc/66/37/48/449663748.db2.gz BEHLQRZGLIXWMV-VIFPVBQESA-N 1 2 336.298 1.743 20 5 EDBDLO COc1cc(N2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)ccc1F ZINC000602656448 449733932 /nfs/dbraw/zinc/73/39/32/449733932.db2.gz YPQREXLAVUCADH-UHFFFAOYSA-N 1 2 349.366 1.798 20 5 EDBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602595081 449693391 /nfs/dbraw/zinc/69/33/91/449693391.db2.gz GWAVYCYZOCJVEY-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602595081 449693398 /nfs/dbraw/zinc/69/33/98/449693398.db2.gz GWAVYCYZOCJVEY-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC(CO)(CO)C3)cs2)c1 ZINC000597219726 449878680 /nfs/dbraw/zinc/87/86/80/449878680.db2.gz VCCBBNLJKOHFNN-UHFFFAOYSA-N 1 2 349.412 1.895 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC(CO)(CO)C3)cs2)c1 ZINC000597219726 449878685 /nfs/dbraw/zinc/87/86/85/449878685.db2.gz VCCBBNLJKOHFNN-UHFFFAOYSA-N 1 2 349.412 1.895 20 5 EDBDLO CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325252 449893156 /nfs/dbraw/zinc/89/31/56/449893156.db2.gz BPDZHPOXFIAUGT-LBPRGKRZSA-N 1 2 335.408 1.638 20 5 EDBDLO CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325252 449893160 /nfs/dbraw/zinc/89/31/60/449893160.db2.gz BPDZHPOXFIAUGT-LBPRGKRZSA-N 1 2 335.408 1.638 20 5 EDBDLO CNc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000609354850 450018177 /nfs/dbraw/zinc/01/81/77/450018177.db2.gz RVHVXBMDEVZKDC-UHFFFAOYSA-N 1 2 328.328 1.935 20 5 EDBDLO CCc1ccc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595381989 450095142 /nfs/dbraw/zinc/09/51/42/450095142.db2.gz AVEJOFSKGDJVOI-SNVBAGLBSA-N 1 2 338.389 1.930 20 5 EDBDLO COCC[N@H+](C)Cc1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603244242 450173370 /nfs/dbraw/zinc/17/33/70/450173370.db2.gz PXPCIWPJMHTBQK-UHFFFAOYSA-N 1 2 335.364 1.321 20 5 EDBDLO COCC[N@@H+](C)Cc1cn(Cc2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000603244242 450173377 /nfs/dbraw/zinc/17/33/77/450173377.db2.gz PXPCIWPJMHTBQK-UHFFFAOYSA-N 1 2 335.364 1.321 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710017 450213739 /nfs/dbraw/zinc/21/37/39/450213739.db2.gz PDOBPSULLJGHFO-CYBMUJFWSA-N 1 2 337.351 1.671 20 5 EDBDLO O=C(N[C@H]1CCNC(=O)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597783283 450252554 /nfs/dbraw/zinc/25/25/54/450252554.db2.gz HTMZAIFLDJJEDN-GFCCVEGCSA-N 1 2 343.343 1.179 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604243 450271304 /nfs/dbraw/zinc/27/13/04/450271304.db2.gz JHKSICAATGTUCU-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604243 450271307 /nfs/dbraw/zinc/27/13/07/450271307.db2.gz JHKSICAATGTUCU-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000610769877 450329655 /nfs/dbraw/zinc/32/96/55/450329655.db2.gz YZFOOGJKJDLBSQ-SECBINFHSA-N 1 2 345.197 1.885 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000610769877 450329659 /nfs/dbraw/zinc/32/96/59/450329659.db2.gz YZFOOGJKJDLBSQ-SECBINFHSA-N 1 2 345.197 1.885 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000619874089 450349395 /nfs/dbraw/zinc/34/93/95/450349395.db2.gz YPLPEBIGRHNNIK-INIZCTEOSA-N 1 2 332.404 1.034 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000619874089 450349398 /nfs/dbraw/zinc/34/93/98/450349398.db2.gz YPLPEBIGRHNNIK-INIZCTEOSA-N 1 2 332.404 1.034 20 5 EDBDLO CN(C)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)[nH+]c1 ZINC000610890290 450370778 /nfs/dbraw/zinc/37/07/78/450370778.db2.gz PJICHTDTSYFGBM-UHFFFAOYSA-N 1 2 330.344 2.439 20 5 EDBDLO CCOC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CC ZINC000183609168 527808193 /nfs/dbraw/zinc/80/81/93/527808193.db2.gz IFKAAZKCCUFZIX-FZMZJTMJSA-N 1 2 325.365 1.324 20 5 EDBDLO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000736136771 578956168 /nfs/dbraw/zinc/95/61/68/578956168.db2.gz HJZNTAURFDCUDL-QWRGUYRKSA-N 1 2 347.379 1.296 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750329452 579759617 /nfs/dbraw/zinc/75/96/17/579759617.db2.gz UUCPAUXCQBSUPX-UHFFFAOYSA-N 1 2 328.288 1.115 20 5 EDBDLO O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000782625252 580580986 /nfs/dbraw/zinc/58/09/86/580580986.db2.gz VITHPDPWYLSHGW-OTYXRUKQSA-N 1 2 325.752 1.501 20 5 EDBDLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000782625252 580580987 /nfs/dbraw/zinc/58/09/87/580580987.db2.gz VITHPDPWYLSHGW-OTYXRUKQSA-N 1 2 325.752 1.501 20 5 EDBDLO Cc1nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc12 ZINC000788379339 580719712 /nfs/dbraw/zinc/71/97/12/580719712.db2.gz WQBXEXRPTWQEFC-ZDUSSCGKSA-N 1 2 347.419 1.863 20 5 EDBDLO CC1(C)COC(=O)[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000793284175 580840778 /nfs/dbraw/zinc/84/07/78/580840778.db2.gz JFMBGODDYYWBLF-CYBMUJFWSA-N 1 2 345.311 1.889 20 5 EDBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)F ZINC000800218175 581047976 /nfs/dbraw/zinc/04/79/76/581047976.db2.gz LOPRRNFKSBJBNI-UHFFFAOYSA-N 1 2 325.227 1.772 20 5 EDBDLO CN(C)c1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000891859129 590659005 /nfs/dbraw/zinc/65/90/05/590659005.db2.gz AYOIHIJRACEYFR-UHFFFAOYSA-N 1 2 328.376 1.777 20 5 EDBDLO CN(C)c1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]cn1 ZINC000891859129 590659007 /nfs/dbraw/zinc/65/90/07/590659007.db2.gz AYOIHIJRACEYFR-UHFFFAOYSA-N 1 2 328.376 1.777 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)c2cc(C)ccc2[N+](=O)[O-])C[N@@H+]1C ZINC000893584583 590989398 /nfs/dbraw/zinc/98/93/98/590989398.db2.gz QIOQUQCIPKWJQA-MEDUHNTESA-N 1 2 336.344 1.696 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)c2cc(C)ccc2[N+](=O)[O-])C[N@H+]1C ZINC000893584583 590989401 /nfs/dbraw/zinc/98/94/01/590989401.db2.gz QIOQUQCIPKWJQA-MEDUHNTESA-N 1 2 336.344 1.696 20 5 EDBDLO C/C(=C\C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000900647543 592079852 /nfs/dbraw/zinc/07/98/52/592079852.db2.gz WWJDYVIOLQWATE-WYMLVPIESA-N 1 2 349.387 1.368 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900683557 592092925 /nfs/dbraw/zinc/09/29/25/592092925.db2.gz CEHKDFIRXVBKOF-UHFFFAOYSA-N 1 2 345.758 1.792 20 5 EDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn1CC[NH+]1CCOCC1 ZINC000905031160 592387818 /nfs/dbraw/zinc/38/78/18/592387818.db2.gz DDIDFUVLMRBKTM-UHFFFAOYSA-N 1 2 344.371 1.981 20 5 EDBDLO [NH3+][C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000911973138 593043524 /nfs/dbraw/zinc/04/35/24/593043524.db2.gz FDLWELKFKQCPFT-LBPRGKRZSA-N 1 2 328.319 1.226 20 5 EDBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283759 593149652 /nfs/dbraw/zinc/14/96/52/593149652.db2.gz ISPCMVVRDWYFSH-ZNMIVQPWSA-N 1 2 336.344 1.035 20 5 EDBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283759 593149653 /nfs/dbraw/zinc/14/96/53/593149653.db2.gz ISPCMVVRDWYFSH-ZNMIVQPWSA-N 1 2 336.344 1.035 20 5 EDBDLO O=C(N1C[C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1)C(F)(F)F ZINC000840124729 593208855 /nfs/dbraw/zinc/20/88/55/593208855.db2.gz DQNUMVQGPAHKRX-NXEZZACHSA-N 1 2 347.297 1.091 20 5 EDBDLO O=C(N1C[C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1)C(F)(F)F ZINC000840124729 593208856 /nfs/dbraw/zinc/20/88/56/593208856.db2.gz DQNUMVQGPAHKRX-NXEZZACHSA-N 1 2 347.297 1.091 20 5 EDBDLO C[C@H]1C(=O)N(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H]1C ZINC000839963243 593244324 /nfs/dbraw/zinc/24/43/24/593244324.db2.gz FONWDJOEFHFKSM-ZIAGYGMSSA-N 1 2 332.404 1.789 20 5 EDBDLO C[C@H]1COCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840033237 593398590 /nfs/dbraw/zinc/39/85/90/593398590.db2.gz IGOHJJPYYDLVNP-MLGOLLRUSA-N 1 2 335.360 1.458 20 5 EDBDLO C[C@H]1COCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840033237 593398593 /nfs/dbraw/zinc/39/85/93/593398593.db2.gz IGOHJJPYYDLVNP-MLGOLLRUSA-N 1 2 335.360 1.458 20 5 EDBDLO O=[N+]([O-])c1nn(CN2CCn3c[nH+]cc3C2)cc1Br ZINC000811787278 593482038 /nfs/dbraw/zinc/48/20/38/593482038.db2.gz HBCYSWAPFFZQJA-UHFFFAOYSA-N 1 2 327.142 1.224 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000824950501 594103189 /nfs/dbraw/zinc/10/31/89/594103189.db2.gz OXZSDYWIRMLSMK-NSNWQYSKSA-N 1 2 347.415 1.924 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000824950501 594103190 /nfs/dbraw/zinc/10/31/90/594103190.db2.gz OXZSDYWIRMLSMK-NSNWQYSKSA-N 1 2 347.415 1.924 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000823089301 594151420 /nfs/dbraw/zinc/15/14/20/594151420.db2.gz TVZGWYSXLSBWRW-LLVKDONJSA-N 1 2 326.316 1.765 20 5 EDBDLO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000827661299 594253182 /nfs/dbraw/zinc/25/31/82/594253182.db2.gz NQEFJSAJAALZAT-AWEZNQCLSA-N 1 2 341.433 1.775 20 5 EDBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000827661299 594253184 /nfs/dbraw/zinc/25/31/84/594253184.db2.gz NQEFJSAJAALZAT-AWEZNQCLSA-N 1 2 341.433 1.775 20 5 EDBDLO CCN(OC)C(=O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826756732 594570980 /nfs/dbraw/zinc/57/09/80/594570980.db2.gz YANSMRZQHXGZOV-UHFFFAOYSA-N 1 2 345.359 1.604 20 5 EDBDLO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000829246707 594587250 /nfs/dbraw/zinc/58/72/50/594587250.db2.gz ADKYCBLFMCCGNO-UHFFFAOYSA-N 1 2 349.387 1.485 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840655277 594806094 /nfs/dbraw/zinc/80/60/94/594806094.db2.gz DQPQYJQNZPCFEP-UHOFOFEASA-N 1 2 334.372 1.962 20 5 EDBDLO O=C(N[C@@H]1CCn2cc[nH+]c21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000833292409 594821516 /nfs/dbraw/zinc/82/15/16/594821516.db2.gz FXDWNIJWXVDTAC-LLVKDONJSA-N 1 2 330.300 1.437 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000843434155 595109835 /nfs/dbraw/zinc/10/98/35/595109835.db2.gz RTDWBWIWNNWNBD-YPMHNXCESA-N 1 2 349.343 1.312 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000843434155 595109838 /nfs/dbraw/zinc/10/98/38/595109838.db2.gz RTDWBWIWNNWNBD-YPMHNXCESA-N 1 2 349.343 1.312 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)(C)CO ZINC000855112667 595600424 /nfs/dbraw/zinc/60/04/24/595600424.db2.gz LMHIVVDDRGERNE-ZDUSSCGKSA-N 1 2 347.375 1.400 20 5 EDBDLO O=Cc1ccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000857962151 595669070 /nfs/dbraw/zinc/66/90/70/595669070.db2.gz JOCCGSVYDSVUQG-GFCCVEGCSA-N 1 2 344.327 1.114 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853138253 595676642 /nfs/dbraw/zinc/67/66/42/595676642.db2.gz RQJMHXBFSDZUIT-UHFFFAOYSA-N 1 2 342.346 1.791 20 5 EDBDLO CC1(C)OC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851849277 595946648 /nfs/dbraw/zinc/94/66/48/595946648.db2.gz SCWXXLGEUISBDK-OAHLLOKOSA-N 1 2 349.387 1.504 20 5 EDBDLO CON1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000854863560 596216976 /nfs/dbraw/zinc/21/69/76/596216976.db2.gz DHHIBOQBAPGBPV-UHFFFAOYSA-N 1 2 331.332 1.100 20 5 EDBDLO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000882763493 598046744 /nfs/dbraw/zinc/04/67/44/598046744.db2.gz PTDVUSPOCQCLCW-GFCCVEGCSA-N 1 2 327.406 1.530 20 5 EDBDLO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000882763493 598046747 /nfs/dbraw/zinc/04/67/47/598046747.db2.gz PTDVUSPOCQCLCW-GFCCVEGCSA-N 1 2 327.406 1.530 20 5 EDBDLO Cc1nonc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001032224166 704758590 /nfs/dbraw/zinc/75/85/90/704758590.db2.gz WFPUZOVBWVCQCL-UHFFFAOYSA-N 1 2 331.332 1.148 20 5 EDBDLO Cc1ccoc1C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001002347385 708827182 /nfs/dbraw/zinc/82/71/82/708827182.db2.gz REZBXOJDZHYXKX-UHFFFAOYSA-N 1 2 347.375 1.624 20 5 EDBDLO COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001005379864 708842396 /nfs/dbraw/zinc/84/23/96/708842396.db2.gz YIYPMCUSQZXKTO-HUUCEWRRSA-N 1 2 348.403 1.178 20 5 EDBDLO Cc1nc(C(=O)NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)co1 ZINC001002666604 709253934 /nfs/dbraw/zinc/25/39/34/709253934.db2.gz QZDPFECWLXSACP-UHFFFAOYSA-N 1 2 348.363 1.019 20 5 EDBDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000050992810 214075322 /nfs/dbraw/zinc/07/53/22/214075322.db2.gz FSECWFZGPNPAKC-LLVKDONJSA-N 1 2 334.376 1.522 20 5 EDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000558755888 306246611 /nfs/dbraw/zinc/24/66/11/306246611.db2.gz TVPBRTCPAMSRIG-UHFFFAOYSA-N 1 2 333.323 1.415 20 5 EDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289887 303992667 /nfs/dbraw/zinc/99/26/67/303992667.db2.gz IFHZVPAKFSLKMJ-JKSUJKDBSA-N 1 2 345.399 1.679 20 5 EDBDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000068957950 215348870 /nfs/dbraw/zinc/34/88/70/215348870.db2.gz CXJDUDOUROWOOL-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO NC(=O)[C@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000563357365 306329780 /nfs/dbraw/zinc/32/97/80/306329780.db2.gz JFFKXZBRVDLLGY-LBPRGKRZSA-N 1 2 344.165 1.091 20 5 EDBDLO C[N@@H+]1CCc2ncnc(N3CCOc4ccc([N+](=O)[O-])cc4C3)c2C1 ZINC000357777045 283180636 /nfs/dbraw/zinc/18/06/36/283180636.db2.gz XZTDPBYXANSTNH-UHFFFAOYSA-N 1 2 341.371 1.772 20 5 EDBDLO C[N@H+]1CCc2ncnc(N3CCOc4ccc([N+](=O)[O-])cc4C3)c2C1 ZINC000357777045 283180637 /nfs/dbraw/zinc/18/06/37/283180637.db2.gz XZTDPBYXANSTNH-UHFFFAOYSA-N 1 2 341.371 1.772 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131516631 138360832 /nfs/dbraw/zinc/36/08/32/138360832.db2.gz VUMCHIMMCPMVQC-LLVKDONJSA-N 1 2 325.340 1.113 20 5 EDBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000361191923 283361379 /nfs/dbraw/zinc/36/13/79/283361379.db2.gz ROWDBROQYDJGMW-DLBZAZTESA-N 1 2 341.367 1.713 20 5 EDBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000361191923 283361380 /nfs/dbraw/zinc/36/13/80/283361380.db2.gz ROWDBROQYDJGMW-DLBZAZTESA-N 1 2 341.367 1.713 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424192444 252158353 /nfs/dbraw/zinc/15/83/53/252158353.db2.gz OWTCIQZKLADGFA-JTQLQIEISA-N 1 2 332.320 1.069 20 5 EDBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000426137533 252315866 /nfs/dbraw/zinc/31/58/66/252315866.db2.gz FPPRINMHHPDWOO-LLVKDONJSA-N 1 2 348.359 1.055 20 5 EDBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000426137533 252315869 /nfs/dbraw/zinc/31/58/69/252315869.db2.gz FPPRINMHHPDWOO-LLVKDONJSA-N 1 2 348.359 1.055 20 5 EDBDLO Cc1nn(CCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000153528927 224117593 /nfs/dbraw/zinc/11/75/93/224117593.db2.gz TWGGUBHODRLJDC-LLVKDONJSA-N 1 2 334.380 1.447 20 5 EDBDLO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCN(C)CC1 ZINC000114384128 220675475 /nfs/dbraw/zinc/67/54/75/220675475.db2.gz XLHSLRFSDLWSIM-LBPRGKRZSA-N 1 2 345.403 1.442 20 5 EDBDLO CC[N@@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129191158 285228129 /nfs/dbraw/zinc/22/81/29/285228129.db2.gz NTTNCXFREIBXTP-UHFFFAOYSA-N 1 2 333.435 1.592 20 5 EDBDLO CC[N@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129191158 285228130 /nfs/dbraw/zinc/22/81/30/285228130.db2.gz NTTNCXFREIBXTP-UHFFFAOYSA-N 1 2 333.435 1.592 20 5 EDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488578503 255045567 /nfs/dbraw/zinc/04/55/67/255045567.db2.gz ODILILXLURWWCB-CYBMUJFWSA-N 1 2 344.375 1.517 20 5 EDBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000489914733 255073520 /nfs/dbraw/zinc/07/35/20/255073520.db2.gz QSXMVWBRFMPHOQ-UHFFFAOYSA-N 1 2 337.376 1.677 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCOC ZINC000117299936 221049485 /nfs/dbraw/zinc/04/94/85/221049485.db2.gz GPUVJQCZTNNFJG-LLVKDONJSA-N 1 2 327.406 1.839 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1CCOC ZINC000117299936 221049488 /nfs/dbraw/zinc/04/94/88/221049488.db2.gz GPUVJQCZTNNFJG-LLVKDONJSA-N 1 2 327.406 1.839 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119240164 221274249 /nfs/dbraw/zinc/27/42/49/221274249.db2.gz XKMRGZGMHDHJRR-UHFFFAOYSA-N 1 2 327.406 1.538 20 5 EDBDLO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000264292325 139394382 /nfs/dbraw/zinc/39/43/82/139394382.db2.gz QLTHXSFXYDJLAM-RYUDHWBXSA-N 1 2 346.387 1.915 20 5 EDBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000347378093 533407531 /nfs/dbraw/zinc/40/75/31/533407531.db2.gz NEWIEFVEDVIIHW-DPQIITEBSA-N 1 2 330.344 1.234 20 5 EDBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000347378093 533407539 /nfs/dbraw/zinc/40/75/39/533407539.db2.gz NEWIEFVEDVIIHW-DPQIITEBSA-N 1 2 330.344 1.234 20 5 EDBDLO C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000271607448 140319191 /nfs/dbraw/zinc/31/91/91/140319191.db2.gz JRIWKDGANPYPCU-STQMWFEESA-N 1 2 336.392 1.676 20 5 EDBDLO O=C(C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000332156040 141132369 /nfs/dbraw/zinc/13/23/69/141132369.db2.gz XKKNDSQHSIZRCT-UHFFFAOYSA-N 1 2 349.387 1.371 20 5 EDBDLO O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000347316648 143307512 /nfs/dbraw/zinc/30/75/12/143307512.db2.gz SJOSBSPZWKUJLL-QWRGUYRKSA-N 1 2 343.767 1.004 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352691422 149118335 /nfs/dbraw/zinc/11/83/35/149118335.db2.gz LSGDCHJRSMHFBP-UHFFFAOYSA-N 1 2 333.367 1.785 20 5 EDBDLO CCn1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])n1 ZINC000352955659 149229489 /nfs/dbraw/zinc/22/94/89/149229489.db2.gz WJTLTFDXUMOXTO-VIFPVBQESA-N 1 2 340.365 1.060 20 5 EDBDLO Cc1nc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000353208661 149325829 /nfs/dbraw/zinc/32/58/29/149325829.db2.gz OBPBODJOXZCZFV-JTQLQIEISA-N 1 2 333.348 1.788 20 5 EDBDLO Cc1nc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000353208661 149325831 /nfs/dbraw/zinc/32/58/31/149325831.db2.gz OBPBODJOXZCZFV-JTQLQIEISA-N 1 2 333.348 1.788 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCNC(=O)N(C)C ZINC000355078186 150106814 /nfs/dbraw/zinc/10/68/14/150106814.db2.gz ZSQQYKHMWQLUHN-NSHDSACASA-N 1 2 337.380 1.125 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCNC(=O)N(C)C ZINC000355078186 150106817 /nfs/dbraw/zinc/10/68/17/150106817.db2.gz ZSQQYKHMWQLUHN-NSHDSACASA-N 1 2 337.380 1.125 20 5 EDBDLO Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1C1CC[NH2+]CC1 ZINC000573724511 306631670 /nfs/dbraw/zinc/63/16/70/306631670.db2.gz YQDQJOVMCIPEAS-UHFFFAOYSA-N 1 2 346.347 1.377 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000370035359 155292833 /nfs/dbraw/zinc/29/28/33/155292833.db2.gz DKSNSDYYVKEWRV-UHFFFAOYSA-N 1 2 349.435 1.989 20 5 EDBDLO Cn1cccc1C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370039218 155293649 /nfs/dbraw/zinc/29/36/49/155293649.db2.gz WOFSNIRXKZOHEN-UHFFFAOYSA-N 1 2 346.391 1.061 20 5 EDBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000357595427 151079446 /nfs/dbraw/zinc/07/94/46/151079446.db2.gz OROSRFZQCOMQIP-UHFFFAOYSA-N 1 2 349.368 1.630 20 5 EDBDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])nc1 ZINC000361007786 152277946 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ANYRMUAKWGGNGR-CYBMUJFWSA-N 1 2 334.376 1.639 20 5 EDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000273693725 268072484 /nfs/dbraw/zinc/07/24/84/268072484.db2.gz MITRVXONQFAHTC-UHFFFAOYSA-N 1 2 339.417 1.595 20 5 EDBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000273675228 273051725 /nfs/dbraw/zinc/05/17/25/273051725.db2.gz ZYMZLIPZWSPDQG-VIFPVBQESA-N 1 2 347.400 1.995 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)c2c1 ZINC000273926512 273059645 /nfs/dbraw/zinc/05/96/45/273059645.db2.gz HGPDBUPDZYLZII-GFCCVEGCSA-N 1 2 341.331 1.193 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000280192765 273350271 /nfs/dbraw/zinc/35/02/71/273350271.db2.gz FOANINQGYJZUOL-SNVBAGLBSA-N 1 2 347.404 1.531 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000280558130 273370964 /nfs/dbraw/zinc/37/09/64/273370964.db2.gz UNTSWQAHLNCYCE-HNNXBMFYSA-N 1 2 331.376 1.830 20 5 EDBDLO 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Cc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284746122 274315337 /nfs/dbraw/zinc/31/53/37/274315337.db2.gz JEEUYYSQWYRIOI-CABCVRRESA-N 1 2 334.376 1.840 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000284867875 274365751 /nfs/dbraw/zinc/36/57/51/274365751.db2.gz IRBXMQNEWXMGBN-UONOGXRCSA-N 1 2 338.339 1.671 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000284867875 274365752 /nfs/dbraw/zinc/36/57/52/274365752.db2.gz IRBXMQNEWXMGBN-UONOGXRCSA-N 1 2 338.339 1.671 20 5 EDBDLO COc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000119792422 277826977 /nfs/dbraw/zinc/82/69/77/277826977.db2.gz AFEBCQSFYXWRPB-NSHDSACASA-N 1 2 325.340 1.653 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286513853 288024245 /nfs/dbraw/zinc/02/42/45/288024245.db2.gz ZDNZODKFMLQKIQ-QWHCGFSZSA-N 1 2 332.404 1.862 20 5 EDBDLO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330378734 279295271 /nfs/dbraw/zinc/29/52/71/279295271.db2.gz RQBKTGFTEVCKTP-SNVBAGLBSA-N 1 2 331.369 1.497 20 5 EDBDLO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330378734 279295273 /nfs/dbraw/zinc/29/52/73/279295273.db2.gz RQBKTGFTEVCKTP-SNVBAGLBSA-N 1 2 331.369 1.497 20 5 EDBDLO COc1cc(OCC(=O)N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000291043041 288993541 /nfs/dbraw/zinc/99/35/41/288993541.db2.gz GHZORULBFQVNCS-UHFFFAOYSA-N 1 2 332.316 1.221 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291641190 289135061 /nfs/dbraw/zinc/13/50/61/289135061.db2.gz MMZLRAQOYMKMCT-UHFFFAOYSA-N 1 2 329.360 1.011 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339069513 297061036 /nfs/dbraw/zinc/06/10/36/297061036.db2.gz WJEAFFMAPMKMQL-NXEZZACHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000367727956 297413640 /nfs/dbraw/zinc/41/36/40/297413640.db2.gz 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000420436698 304806573 /nfs/dbraw/zinc/80/65/73/304806573.db2.gz BJQCUGYHDLWKRT-VIFPVBQESA-N 1 2 339.295 1.009 20 5 EDBDLO CCOc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427999491 305003359 /nfs/dbraw/zinc/00/33/59/305003359.db2.gz ZPMIRQQDYVEERV-GFCCVEGCSA-N 1 2 330.344 1.935 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000428069704 305006675 /nfs/dbraw/zinc/00/66/75/305006675.db2.gz IYYFUTWTNOSDJS-LLVKDONJSA-N 1 2 340.355 1.157 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000428069704 305006676 /nfs/dbraw/zinc/00/66/76/305006676.db2.gz IYYFUTWTNOSDJS-LLVKDONJSA-N 1 2 340.355 1.157 20 5 EDBDLO CCOC(=O)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448948826 305305486 /nfs/dbraw/zinc/30/54/86/305305486.db2.gz GDBAPOLXYKADPL-NSHDSACASA-N 1 2 346.343 1.804 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000044680134 440870023 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EDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025933586 441361126 /nfs/dbraw/zinc/36/11/26/441361126.db2.gz CTPVIACSKYJESQ-CYBMUJFWSA-N 1 2 332.404 1.380 20 5 EDBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025933586 441361130 /nfs/dbraw/zinc/36/11/30/441361130.db2.gz CTPVIACSKYJESQ-CYBMUJFWSA-N 1 2 332.404 1.380 20 5 EDBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197035 441370604 /nfs/dbraw/zinc/37/06/04/441370604.db2.gz VZYUCYIKMVQAHT-TZMCWYRMSA-N 1 2 333.388 1.983 20 5 EDBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197035 441370606 /nfs/dbraw/zinc/37/06/06/441370606.db2.gz VZYUCYIKMVQAHT-TZMCWYRMSA-N 1 2 333.388 1.983 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000065423814 441431492 /nfs/dbraw/zinc/43/14/92/441431492.db2.gz KGHRKFBTDYLLGD-LBPRGKRZSA-N 1 2 333.388 1.983 20 5 EDBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 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Nc1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000176934770 442275561 /nfs/dbraw/zinc/27/55/61/442275561.db2.gz POQRGTFHJQGGQZ-LBPRGKRZSA-N 1 2 334.376 1.114 20 5 EDBDLO Cn1cc(N2CC[C@H]([N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cn1 ZINC000131397704 442371496 /nfs/dbraw/zinc/37/14/96/442371496.db2.gz ZSLKQALXDSBTPQ-INIZCTEOSA-N 1 2 341.371 1.492 20 5 EDBDLO Cn1cc(N2CC[C@H]([N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cn1 ZINC000131397704 442371499 /nfs/dbraw/zinc/37/14/99/442371499.db2.gz ZSLKQALXDSBTPQ-INIZCTEOSA-N 1 2 341.371 1.492 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCOc3cc[nH+]cc32)c1 ZINC000155621927 442413335 /nfs/dbraw/zinc/41/33/35/442413335.db2.gz VNHFATBKBHIJPV-UHFFFAOYSA-N 1 2 335.341 1.719 20 5 EDBDLO COC(=O)[C@H](O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000135349970 442584793 /nfs/dbraw/zinc/58/47/93/442584793.db2.gz VPSBAQVYECPFBK-CQSZACIVSA-N 1 2 326.324 1.480 20 5 EDBDLO Cn1c(=O)cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)c1=O ZINC000179240572 442603372 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CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266299088 443089919 /nfs/dbraw/zinc/08/99/19/443089919.db2.gz NKOSHUAWFQHRHH-ZYHUDNBSSA-N 1 2 345.396 1.741 20 5 EDBDLO O=C1[C@@H]([N@@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000185149125 443148032 /nfs/dbraw/zinc/14/80/32/443148032.db2.gz LLCYGEQGVODZCI-DOTOQJQBSA-N 1 2 347.371 1.191 20 5 EDBDLO O=C1[C@@H]([N@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000185149125 443148036 /nfs/dbraw/zinc/14/80/36/443148036.db2.gz LLCYGEQGVODZCI-DOTOQJQBSA-N 1 2 347.371 1.191 20 5 EDBDLO CC(C)C[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185336679 443185581 /nfs/dbraw/zinc/18/55/81/443185581.db2.gz KJQSNPMSOXVBAE-CQSZACIVSA-N 1 2 344.433 1.707 20 5 EDBDLO CC(C)C[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185336679 443185586 /nfs/dbraw/zinc/18/55/86/443185586.db2.gz KJQSNPMSOXVBAE-CQSZACIVSA-N 1 2 344.433 1.707 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000272621032 443385626 /nfs/dbraw/zinc/38/56/26/443385626.db2.gz UUKXBCYHLKTMDY-UHFFFAOYSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000272621032 443385630 /nfs/dbraw/zinc/38/56/30/443385630.db2.gz UUKXBCYHLKTMDY-UHFFFAOYSA-N 1 2 348.403 1.784 20 5 EDBDLO Cn1cc[nH+]c1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000264781692 443421209 /nfs/dbraw/zinc/42/12/09/443421209.db2.gz QXIKDRDXKJXWMB-UHFFFAOYSA-N 1 2 346.315 1.937 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264977531 443497555 /nfs/dbraw/zinc/49/75/55/443497555.db2.gz SMWBDUJRZLKGFH-UHFFFAOYSA-N 1 2 343.380 1.593 20 5 EDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000279316689 443554106 /nfs/dbraw/zinc/55/41/06/443554106.db2.gz NZYCWFXAOKRVCE-UHFFFAOYSA-N 1 2 337.376 1.483 20 5 EDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000279316689 443554111 /nfs/dbraw/zinc/55/41/11/443554111.db2.gz NZYCWFXAOKRVCE-UHFFFAOYSA-N 1 2 337.376 1.483 20 5 EDBDLO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272387095 443610178 /nfs/dbraw/zinc/61/01/78/443610178.db2.gz KQFXDUQVYNAZMO-UHFFFAOYSA-N 1 2 339.392 1.731 20 5 EDBDLO COc1cccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000443944117 320116373 /nfs/dbraw/zinc/11/63/73/320116373.db2.gz CWIFKENSJCQEFO-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451658724 320236634 /nfs/dbraw/zinc/23/66/34/320236634.db2.gz NKVNOVGJUQQSLB-CYBMUJFWSA-N 1 2 342.417 1.873 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451658724 320236635 /nfs/dbraw/zinc/23/66/35/320236635.db2.gz NKVNOVGJUQQSLB-CYBMUJFWSA-N 1 2 342.417 1.873 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452116672 320242479 /nfs/dbraw/zinc/24/24/79/320242479.db2.gz MBQFBUSKCIWEBE-OCCSQVGLSA-N 1 2 349.387 1.899 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452116672 320242480 /nfs/dbraw/zinc/24/24/80/320242480.db2.gz MBQFBUSKCIWEBE-OCCSQVGLSA-N 1 2 349.387 1.899 20 5 EDBDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000276408852 443697824 /nfs/dbraw/zinc/69/78/24/443697824.db2.gz GTLPSKPLWKUAQC-BETUJISGSA-N 1 2 329.356 1.680 20 5 EDBDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000276408852 443697827 /nfs/dbraw/zinc/69/78/27/443697827.db2.gz GTLPSKPLWKUAQC-BETUJISGSA-N 1 2 329.356 1.680 20 5 EDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280377075 443706602 /nfs/dbraw/zinc/70/66/02/443706602.db2.gz YZQAYYYAYHDKRQ-UHFFFAOYSA-N 1 2 345.808 1.788 20 5 EDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280377075 443706605 /nfs/dbraw/zinc/70/66/05/443706605.db2.gz YZQAYYYAYHDKRQ-UHFFFAOYSA-N 1 2 345.808 1.788 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000276573740 443751948 /nfs/dbraw/zinc/75/19/48/443751948.db2.gz BBRMYGZDFMMJIJ-UHFFFAOYSA-N 1 2 338.389 1.766 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000276595565 443759515 /nfs/dbraw/zinc/75/95/15/443759515.db2.gz ILDVPCZHFMGLEY-AWEZNQCLSA-N 1 2 329.360 1.457 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298749970 443857803 /nfs/dbraw/zinc/85/78/03/443857803.db2.gz OIRBBTTVUWMTON-NSHDSACASA-N 1 2 333.344 1.792 20 5 EDBDLO CCOc1cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000276905626 443869399 /nfs/dbraw/zinc/86/93/99/443869399.db2.gz MGVPUXSGIDSLQT-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CCOc1cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000276905626 443869403 /nfs/dbraw/zinc/86/94/03/443869403.db2.gz MGVPUXSGIDSLQT-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277385668 443973818 /nfs/dbraw/zinc/97/38/18/443973818.db2.gz IOGZKRUDXATYSM-UHFFFAOYSA-N 1 2 348.403 1.601 20 5 EDBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548420047 320879268 /nfs/dbraw/zinc/87/92/68/320879268.db2.gz DXGMTKLDCJULOH-UHFFFAOYSA-N 1 2 345.359 1.711 20 5 EDBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549184736 320903624 /nfs/dbraw/zinc/90/36/24/320903624.db2.gz KYZYVOLCTSFVNZ-NSHDSACASA-N 1 2 347.350 1.976 20 5 EDBDLO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285568650 444031986 /nfs/dbraw/zinc/03/19/86/444031986.db2.gz AECNRFYWILUAGT-ZFWWWQNUSA-N 1 2 333.388 1.838 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000282096201 444085324 /nfs/dbraw/zinc/08/53/24/444085324.db2.gz DPFQZCDPUUBWSI-NSHDSACASA-N 1 2 343.343 1.083 20 5 EDBDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000568390594 321289150 /nfs/dbraw/zinc/28/91/50/321289150.db2.gz WNDLPUSWJJXGMR-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000568390594 321289151 /nfs/dbraw/zinc/28/91/51/321289151.db2.gz WNDLPUSWJJXGMR-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO Cc1cc(NCCS(C)(=O)=O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226683 444156684 /nfs/dbraw/zinc/15/66/84/444156684.db2.gz GXWOBIIGJSACQW-UHFFFAOYSA-N 1 2 336.373 1.817 20 5 EDBDLO Cc1ccnc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000301255182 444158612 /nfs/dbraw/zinc/15/86/12/444158612.db2.gz DGQJCQCGBVBCRD-UHFFFAOYSA-N 1 2 342.421 1.219 20 5 EDBDLO Cc1cc(N2CC[NH+]([C@H](C)C(N)=O)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036835 444201672 /nfs/dbraw/zinc/20/16/72/444201672.db2.gz VCPCMKGACDGNDT-GFCCVEGCSA-N 1 2 343.387 1.447 20 5 EDBDLO CC[NH+]1CCC(N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000302127402 444205149 /nfs/dbraw/zinc/20/51/49/444205149.db2.gz BDGMLYYAEOFDID-UHFFFAOYSA-N 1 2 347.462 1.980 20 5 EDBDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331321056 444465493 /nfs/dbraw/zinc/46/54/93/444465493.db2.gz FAVQUCPMUQIFGS-QHCPKHFHSA-N 1 2 339.417 1.766 20 5 EDBDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331321056 444465494 /nfs/dbraw/zinc/46/54/94/444465494.db2.gz FAVQUCPMUQIFGS-QHCPKHFHSA-N 1 2 339.417 1.766 20 5 EDBDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc([N+](=O)[O-])c1C ZINC000332273703 444507696 /nfs/dbraw/zinc/50/76/96/444507696.db2.gz VNAKPWUJNUMXIP-HIFRSBDPSA-N 1 2 335.360 1.067 20 5 EDBDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc([N+](=O)[O-])c1C ZINC000332273703 444507698 /nfs/dbraw/zinc/50/76/98/444507698.db2.gz VNAKPWUJNUMXIP-HIFRSBDPSA-N 1 2 335.360 1.067 20 5 EDBDLO CNc1c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000342281482 444610810 /nfs/dbraw/zinc/61/08/10/444610810.db2.gz ITRPZPARRFGVPR-STQMWFEESA-N 1 2 348.403 1.572 20 5 EDBDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338661015 444796696 /nfs/dbraw/zinc/79/66/96/444796696.db2.gz AFMMTDPEGCZWOL-UHFFFAOYSA-N 1 2 337.376 1.679 20 5 EDBDLO CCOC(=O)C[N@H+]1CCCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338661015 444796699 /nfs/dbraw/zinc/79/66/99/444796699.db2.gz AFMMTDPEGCZWOL-UHFFFAOYSA-N 1 2 337.376 1.679 20 5 EDBDLO NC(=O)c1cccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000342774166 444861269 /nfs/dbraw/zinc/86/12/69/444861269.db2.gz BSBXYBZULQPMAL-LLVKDONJSA-N 1 2 327.344 1.780 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338998288 444978234 /nfs/dbraw/zinc/97/82/34/444978234.db2.gz HARDYEHUPBNQOZ-OAHLLOKOSA-N 1 2 342.323 1.053 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338998288 444978235 /nfs/dbraw/zinc/97/82/35/444978235.db2.gz HARDYEHUPBNQOZ-OAHLLOKOSA-N 1 2 342.323 1.053 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330630056 445070177 /nfs/dbraw/zinc/07/01/77/445070177.db2.gz CFPNQZPUXHUWMD-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330630056 445070181 /nfs/dbraw/zinc/07/01/81/445070181.db2.gz CFPNQZPUXHUWMD-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]1 ZINC000337563672 445138689 /nfs/dbraw/zinc/13/86/89/445138689.db2.gz AGOYMBYWVLVUCP-CYBMUJFWSA-N 1 2 330.344 1.718 20 5 EDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000345496982 445187921 /nfs/dbraw/zinc/18/79/21/445187921.db2.gz YGXXQVFAVHXQLP-VHSXEESVSA-N 1 2 333.435 1.760 20 5 EDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000345496982 445187924 /nfs/dbraw/zinc/18/79/24/445187924.db2.gz YGXXQVFAVHXQLP-VHSXEESVSA-N 1 2 333.435 1.760 20 5 EDBDLO Cn1ccnc1[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000348394517 445275552 /nfs/dbraw/zinc/27/55/52/445275552.db2.gz FMWAQMYYEFDHJL-OAHLLOKOSA-N 1 2 333.367 1.956 20 5 EDBDLO Cn1ccnc1[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000348394517 445275554 /nfs/dbraw/zinc/27/55/54/445275554.db2.gz FMWAQMYYEFDHJL-OAHLLOKOSA-N 1 2 333.367 1.956 20 5 EDBDLO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])cnc3N)[nH+]c2c1 ZINC000359788964 445429078 /nfs/dbraw/zinc/42/90/78/445429078.db2.gz GQVYBJGPUXHQCK-UHFFFAOYSA-N 1 2 326.316 1.458 20 5 EDBDLO Cc1nc(C)n(C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000353649084 445691888 /nfs/dbraw/zinc/69/18/88/445691888.db2.gz XCMFVMBPSYZPDT-INIZCTEOSA-N 1 2 331.376 1.704 20 5 EDBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000353649084 445691891 /nfs/dbraw/zinc/69/18/91/445691891.db2.gz XCMFVMBPSYZPDT-INIZCTEOSA-N 1 2 331.376 1.704 20 5 EDBDLO CCc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491523 445828432 /nfs/dbraw/zinc/82/84/32/445828432.db2.gz XBXRYNJBNSCDML-OLZOCXBDSA-N 1 2 338.433 1.405 20 5 EDBDLO CCc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491523 445828435 /nfs/dbraw/zinc/82/84/35/445828435.db2.gz XBXRYNJBNSCDML-OLZOCXBDSA-N 1 2 338.433 1.405 20 5 EDBDLO CCCC(=O)N1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000363432393 445800735 /nfs/dbraw/zinc/80/07/35/445800735.db2.gz JEOXZIKKSQSYIM-UHFFFAOYSA-N 1 2 348.403 1.528 20 5 EDBDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000363432393 445800738 /nfs/dbraw/zinc/80/07/38/445800738.db2.gz JEOXZIKKSQSYIM-UHFFFAOYSA-N 1 2 348.403 1.528 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583145911 326012894 /nfs/dbraw/zinc/01/28/94/326012894.db2.gz CDWNNEMPEDJBMK-NSHDSACASA-N 1 2 330.344 1.679 20 5 EDBDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351520962 446123222 /nfs/dbraw/zinc/12/32/22/446123222.db2.gz GIILNMAYLZYQQS-UHFFFAOYSA-N 1 2 349.322 1.418 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3noc(C(F)F)n3)CCC2)n1 ZINC000366334163 446159115 /nfs/dbraw/zinc/15/91/15/446159115.db2.gz RMJGYBPSCKQEJC-UHFFFAOYSA-N 1 2 328.279 1.781 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000366633202 446287737 /nfs/dbraw/zinc/28/77/37/446287737.db2.gz JNNZLJXEKLKXRE-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374907950 446451063 /nfs/dbraw/zinc/45/10/63/446451063.db2.gz FXRMZZDYWQVHAC-NSHDSACASA-N 1 2 335.751 1.758 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374917436 446457925 /nfs/dbraw/zinc/45/79/25/446457925.db2.gz UTUILYQUHAYUHP-LLVKDONJSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374917436 446457930 /nfs/dbraw/zinc/45/79/30/446457930.db2.gz UTUILYQUHAYUHP-LLVKDONJSA-N 1 2 331.369 1.248 20 5 EDBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367104308 446508058 /nfs/dbraw/zinc/50/80/58/446508058.db2.gz ZXTMNWJPTAUTEZ-LLVKDONJSA-N 1 2 330.344 1.960 20 5 EDBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367104308 446508064 /nfs/dbraw/zinc/50/80/64/446508064.db2.gz ZXTMNWJPTAUTEZ-LLVKDONJSA-N 1 2 330.344 1.960 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1F ZINC000411390530 446514763 /nfs/dbraw/zinc/51/47/63/446514763.db2.gz QDDJESFZYQVMTO-JTQLQIEISA-N 1 2 336.323 1.686 20 5 EDBDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000411410769 446526867 /nfs/dbraw/zinc/52/68/67/446526867.db2.gz WOSLKNQCRDTUED-UHFFFAOYSA-N 1 2 335.360 1.999 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000433171918 446542094 /nfs/dbraw/zinc/54/20/94/446542094.db2.gz FUXHQOQGBQIGEV-CQSZACIVSA-N 1 2 339.392 1.559 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](CO)COC(C)C ZINC000433171918 446542102 /nfs/dbraw/zinc/54/21/02/446542102.db2.gz FUXHQOQGBQIGEV-CQSZACIVSA-N 1 2 339.392 1.559 20 5 EDBDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412043232 446806538 /nfs/dbraw/zinc/80/65/38/446806538.db2.gz PBYFDKBRHUSKPD-PWSUYJOCSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412043232 446806541 /nfs/dbraw/zinc/80/65/41/446806541.db2.gz PBYFDKBRHUSKPD-PWSUYJOCSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412043232 446806545 /nfs/dbraw/zinc/80/65/45/446806545.db2.gz PBYFDKBRHUSKPD-PWSUYJOCSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412043232 446806551 /nfs/dbraw/zinc/80/65/51/446806551.db2.gz PBYFDKBRHUSKPD-PWSUYJOCSA-N 1 2 344.375 1.838 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000371457541 446868055 /nfs/dbraw/zinc/86/80/55/446868055.db2.gz OCUNTITVTIPXJW-UHFFFAOYSA-N 1 2 340.343 1.659 20 5 EDBDLO C[C@@H]1C[C@@H](CO)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420928501 446899039 /nfs/dbraw/zinc/89/90/39/446899039.db2.gz ANUCKQGGCGIXKO-CHWSQXEVSA-N 1 2 342.417 1.319 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C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000603210676 450145225 /nfs/dbraw/zinc/14/52/25/450145225.db2.gz GXBUPARSGAMDIG-TZMCWYRMSA-N 1 2 331.376 1.752 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000603210676 450145229 /nfs/dbraw/zinc/14/52/29/450145229.db2.gz GXBUPARSGAMDIG-TZMCWYRMSA-N 1 2 331.376 1.752 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599688557 450154077 /nfs/dbraw/zinc/15/40/77/450154077.db2.gz FAEBBVFSMJMJRH-ZDUSSCGKSA-N 1 2 331.376 1.962 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599688557 450154083 /nfs/dbraw/zinc/15/40/83/450154083.db2.gz FAEBBVFSMJMJRH-ZDUSSCGKSA-N 1 2 331.376 1.962 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599688556 450155036 /nfs/dbraw/zinc/15/50/36/450155036.db2.gz FAEBBVFSMJMJRH-CYBMUJFWSA-N 1 2 331.376 1.962 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599688556 450155043 /nfs/dbraw/zinc/15/50/43/450155043.db2.gz FAEBBVFSMJMJRH-CYBMUJFWSA-N 1 2 331.376 1.962 20 5 EDBDLO COC[C@@]1(C)C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000599693044 450157376 /nfs/dbraw/zinc/15/73/76/450157376.db2.gz NWWLHDDSOMKNIH-MRXNPFEDSA-N 1 2 340.376 1.720 20 5 EDBDLO COC[C@@]1(C)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000599693044 450157379 /nfs/dbraw/zinc/15/73/79/450157379.db2.gz NWWLHDDSOMKNIH-MRXNPFEDSA-N 1 2 340.376 1.720 20 5 EDBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000610247140 450160671 /nfs/dbraw/zinc/16/06/71/450160671.db2.gz BIAPMZXASHEBGT-UHFFFAOYSA-N 1 2 326.312 2.578 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601735144 450199554 /nfs/dbraw/zinc/19/95/54/450199554.db2.gz HALHTOVJHKQTJF-LLVKDONJSA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601735144 450199557 /nfs/dbraw/zinc/19/95/57/450199557.db2.gz HALHTOVJHKQTJF-LLVKDONJSA-N 1 2 327.768 1.651 20 5 EDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709406 450212281 /nfs/dbraw/zinc/21/22/81/450212281.db2.gz JCVZHMMSZXBDMQ-CQSZACIVSA-N 1 2 337.351 1.671 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595595498 450253934 /nfs/dbraw/zinc/25/39/34/450253934.db2.gz WHPWRKKLBMXITK-SNVBAGLBSA-N 1 2 333.348 1.786 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000595595498 450253938 /nfs/dbraw/zinc/25/39/38/450253938.db2.gz WHPWRKKLBMXITK-SNVBAGLBSA-N 1 2 333.348 1.786 20 5 EDBDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581083 450267220 /nfs/dbraw/zinc/26/72/20/450267220.db2.gz HJTKMAPTCSXMBB-CYBMUJFWSA-N 1 2 330.344 1.979 20 5 EDBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581083 450267223 /nfs/dbraw/zinc/26/72/23/450267223.db2.gz HJTKMAPTCSXMBB-CYBMUJFWSA-N 1 2 330.344 1.979 20 5 EDBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610733354 450315418 /nfs/dbraw/zinc/31/54/18/450315418.db2.gz SXQUDJWFJZCTRA-CYBMUJFWSA-N 1 2 344.371 1.623 20 5 EDBDLO O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000619872859 450349313 /nfs/dbraw/zinc/34/93/13/450349313.db2.gz MPRXWXLFEJSQTO-UHFFFAOYSA-N 1 2 345.359 1.894 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000619475616 450484299 /nfs/dbraw/zinc/48/42/99/450484299.db2.gz TZIJCMSOKMCBAU-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000619498507 450492606 /nfs/dbraw/zinc/49/26/06/450492606.db2.gz PDMZMLSNBSVCPM-UHFFFAOYSA-N 1 2 325.413 1.667 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000619498507 450492612 /nfs/dbraw/zinc/49/26/12/450492612.db2.gz PDMZMLSNBSVCPM-UHFFFAOYSA-N 1 2 325.413 1.667 20 5 EDBDLO O=C(NCC1(O)CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174816641 491015215 /nfs/dbraw/zinc/01/52/15/491015215.db2.gz VRKWCUYYLPGNAL-UHFFFAOYSA-N 1 2 346.343 1.052 20 5 EDBDLO COc1n[nH]c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000179369969 491018131 /nfs/dbraw/zinc/01/81/31/491018131.db2.gz ZKBQBEQCKHKVMA-UHFFFAOYSA-N 1 2 329.276 1.160 20 5 EDBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000345779767 536763758 /nfs/dbraw/zinc/76/37/58/536763758.db2.gz HRGMVQPIESHKAX-NUEKZKHPSA-N 1 2 336.388 1.965 20 5 EDBDLO COc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000345779767 536763764 /nfs/dbraw/zinc/76/37/64/536763764.db2.gz HRGMVQPIESHKAX-NUEKZKHPSA-N 1 2 336.388 1.965 20 5 EDBDLO Cn1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000759560747 580009062 /nfs/dbraw/zinc/00/90/62/580009062.db2.gz APYBVTWBRUXSIO-UHFFFAOYSA-N 1 2 328.288 1.266 20 5 EDBDLO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCOC[C@H]1C1CC1 ZINC000766248502 580162644 /nfs/dbraw/zinc/16/26/44/580162644.db2.gz OMGXRRIIXIQCHM-KRWDZBQOSA-N 1 2 345.399 1.590 20 5 EDBDLO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCOC[C@H]1C1CC1 ZINC000766248502 580162645 /nfs/dbraw/zinc/16/26/45/580162645.db2.gz OMGXRRIIXIQCHM-KRWDZBQOSA-N 1 2 345.399 1.590 20 5 EDBDLO O=C1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2cc[nH+]cc2N1 ZINC000768843047 580222135 /nfs/dbraw/zinc/22/21/35/580222135.db2.gz DTFLOYIICXCFKQ-UHFFFAOYSA-N 1 2 340.342 1.199 20 5 EDBDLO C[C@@H](NC(=S)NCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000774579760 580366383 /nfs/dbraw/zinc/36/63/83/580366383.db2.gz HPFOTZCVSWUVIF-GFCCVEGCSA-N 1 2 338.433 1.452 20 5 EDBDLO Cc1cc(CN2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000776276418 580413701 /nfs/dbraw/zinc/41/37/01/580413701.db2.gz MYLHMCCWGMXCSB-QGZVFWFLSA-N 1 2 346.387 1.742 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000776279720 580413907 /nfs/dbraw/zinc/41/39/07/580413907.db2.gz XFRBDIVWAUYEFZ-GOSISDBHSA-N 1 2 342.399 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000776279720 580413908 /nfs/dbraw/zinc/41/39/08/580413908.db2.gz XFRBDIVWAUYEFZ-GOSISDBHSA-N 1 2 342.399 1.841 20 5 EDBDLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593713 580423242 /nfs/dbraw/zinc/42/32/42/580423242.db2.gz MOCBFWQYNBNDBJ-AWEZNQCLSA-N 1 2 330.406 1.383 20 5 EDBDLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593713 580423243 /nfs/dbraw/zinc/42/32/43/580423243.db2.gz MOCBFWQYNBNDBJ-AWEZNQCLSA-N 1 2 330.406 1.383 20 5 EDBDLO Cc1nn(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1[N+](=O)[O-] ZINC000782862502 580586459 /nfs/dbraw/zinc/58/64/59/580586459.db2.gz PICIWZIBDMMQSC-UHFFFAOYSA-N 1 2 335.324 1.499 20 5 EDBDLO COc1cc(OCC(=O)OCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000783235088 580596256 /nfs/dbraw/zinc/59/62/56/580596256.db2.gz OFFATBKPDILBPN-UHFFFAOYSA-N 1 2 335.316 1.812 20 5 EDBDLO Cc1nn(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1[N+](=O)[O-] ZINC000783982381 580610099 /nfs/dbraw/zinc/61/00/99/580610099.db2.gz OVGTXVGOUYBDPN-UHFFFAOYSA-N 1 2 334.355 1.804 20 5 EDBDLO Cc1nn(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1[N+](=O)[O-] ZINC000783982381 580610100 /nfs/dbraw/zinc/61/01/00/580610100.db2.gz OVGTXVGOUYBDPN-UHFFFAOYSA-N 1 2 334.355 1.804 20 5 EDBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000791338247 580789928 /nfs/dbraw/zinc/78/99/28/580789928.db2.gz GUYMYAKYKJLCLF-UHFFFAOYSA-N 1 2 342.315 1.424 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000793642292 580849746 /nfs/dbraw/zinc/84/97/46/580849746.db2.gz IDOXDPVCLUYMDY-WDNDVIMCSA-N 1 2 343.343 1.162 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000793642292 580849747 /nfs/dbraw/zinc/84/97/47/580849747.db2.gz IDOXDPVCLUYMDY-WDNDVIMCSA-N 1 2 343.343 1.162 20 5 EDBDLO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000794697341 580903293 /nfs/dbraw/zinc/90/32/93/580903293.db2.gz CZLXJWAHIBUCEA-MLGOLLRUSA-N 1 2 332.360 1.782 20 5 EDBDLO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000794697341 580903294 /nfs/dbraw/zinc/90/32/94/580903294.db2.gz CZLXJWAHIBUCEA-MLGOLLRUSA-N 1 2 332.360 1.782 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000801906339 581087612 /nfs/dbraw/zinc/08/76/12/581087612.db2.gz QQBORKPQJXKZEB-UHFFFAOYSA-N 1 2 333.323 1.943 20 5 EDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000895805814 591277270 /nfs/dbraw/zinc/27/72/70/591277270.db2.gz XHUQVVOOKHIYRP-LBPRGKRZSA-N 1 2 336.392 1.477 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898499837 591378358 /nfs/dbraw/zinc/37/83/58/591378358.db2.gz RJKGQQMRVZVRRW-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898499837 591378361 /nfs/dbraw/zinc/37/83/61/591378361.db2.gz RJKGQQMRVZVRRW-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000895018832 591528362 /nfs/dbraw/zinc/52/83/62/591528362.db2.gz HKHPAQAVABEPRB-OAHLLOKOSA-N 1 2 345.403 1.950 20 5 EDBDLO Cc1cccc(C[N@H+]2CCO[C@H](CNc3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000895018832 591528365 /nfs/dbraw/zinc/52/83/65/591528365.db2.gz HKHPAQAVABEPRB-OAHLLOKOSA-N 1 2 345.403 1.950 20 5 EDBDLO CCn1c[nH+]c2c1CCN(c1ccc(C(=O)NC)cc1[N+](=O)[O-])C2 ZINC000896659441 591565597 /nfs/dbraw/zinc/56/55/97/591565597.db2.gz IXRZAVJOZBLBNG-UHFFFAOYSA-N 1 2 329.360 1.734 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000897905039 591715508 /nfs/dbraw/zinc/71/55/08/591715508.db2.gz JGWCCDQMXSJVTQ-OKILXGFUSA-N 1 2 333.388 1.805 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000897905039 591715511 /nfs/dbraw/zinc/71/55/11/591715511.db2.gz JGWCCDQMXSJVTQ-OKILXGFUSA-N 1 2 333.388 1.805 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906460590 592827403 /nfs/dbraw/zinc/82/74/03/592827403.db2.gz UNGGXMBAOPIXOF-ZDUSSCGKSA-N 1 2 341.795 1.628 20 5 EDBDLO C[N@H+]1CCO[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906460590 592827405 /nfs/dbraw/zinc/82/74/05/592827405.db2.gz UNGGXMBAOPIXOF-ZDUSSCGKSA-N 1 2 341.795 1.628 20 5 EDBDLO CCOC1CC[NH+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839969655 593261477 /nfs/dbraw/zinc/26/14/77/593261477.db2.gz YMRATURETZKQQX-KRWDZBQOSA-N 1 2 349.387 1.990 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839507061 593312790 /nfs/dbraw/zinc/31/27/90/593312790.db2.gz UPPMQXQIUNSEQY-UHFFFAOYSA-N 1 2 342.783 1.773 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839507061 593312792 /nfs/dbraw/zinc/31/27/92/593312792.db2.gz UPPMQXQIUNSEQY-UHFFFAOYSA-N 1 2 342.783 1.773 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816916117 593557937 /nfs/dbraw/zinc/55/79/37/593557937.db2.gz WBPLRPRRWSNWNI-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000819018073 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CN(CC[NH+]1CCOCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000112406617 220321589 /nfs/dbraw/zinc/32/15/89/220321589.db2.gz RRUKPWHFURSUJB-UHFFFAOYSA-N 1 2 347.375 1.409 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495255283 255275954 /nfs/dbraw/zinc/27/59/54/255275954.db2.gz USZNGNWROYHIPL-NSHDSACASA-N 1 2 348.359 1.496 20 5 EDBDLO Cc1noc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000119646935 221367422 /nfs/dbraw/zinc/36/74/22/221367422.db2.gz UJPJJBOTUOOFLI-UHFFFAOYSA-N 1 2 342.315 1.444 20 5 EDBDLO O=C1N=NCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000571057674 306557344 /nfs/dbraw/zinc/55/73/44/306557344.db2.gz CDIVKUHOBXHLEH-UHFFFAOYSA-N 1 2 343.347 1.605 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000332280536 141155506 /nfs/dbraw/zinc/15/55/06/141155506.db2.gz LEZOZVDCWIDAEN-OAHLLOKOSA-N 1 2 346.431 1.896 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000332280536 141155507 /nfs/dbraw/zinc/15/55/07/141155507.db2.gz LEZOZVDCWIDAEN-OAHLLOKOSA-N 1 2 346.431 1.896 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC000332304094 141159035 /nfs/dbraw/zinc/15/90/35/141159035.db2.gz MFKOAVAEHSQYRR-UHFFFAOYSA-N 1 2 348.403 1.154 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000344916349 143026465 /nfs/dbraw/zinc/02/64/65/143026465.db2.gz WYCJGLLWXFVCEG-SNVBAGLBSA-N 1 2 344.318 1.700 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000344916349 143026466 /nfs/dbraw/zinc/02/64/66/143026466.db2.gz WYCJGLLWXFVCEG-SNVBAGLBSA-N 1 2 344.318 1.700 20 5 EDBDLO Cc1cccn2cc(CNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000347505547 143329819 /nfs/dbraw/zinc/32/98/19/143329819.db2.gz VPLGZVYSNOVMBB-UHFFFAOYSA-N 1 2 342.359 1.799 20 5 EDBDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000352662014 149106619 /nfs/dbraw/zinc/10/66/19/149106619.db2.gz ZRPDOCDWRWHGAA-OAHLLOKOSA-N 1 2 335.404 1.972 20 5 EDBDLO O=C(CCc1[nH]cc[nH+]1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353079752 149278063 /nfs/dbraw/zinc/27/80/63/149278063.db2.gz UIRDTAXLQYASPO-UHFFFAOYSA-N 1 2 327.304 1.674 20 5 EDBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000353372765 149383287 /nfs/dbraw/zinc/38/32/87/149383287.db2.gz IHBLJAWTQJNISG-JTQLQIEISA-N 1 2 326.316 1.995 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000355607701 150334997 /nfs/dbraw/zinc/33/49/97/150334997.db2.gz ODLXQKHBNYLLKW-UHFFFAOYSA-N 1 2 346.343 1.569 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000355607701 150335000 /nfs/dbraw/zinc/33/50/00/150335000.db2.gz ODLXQKHBNYLLKW-UHFFFAOYSA-N 1 2 346.343 1.569 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000363618792 153015053 /nfs/dbraw/zinc/01/50/53/153015053.db2.gz ASQXVNUVZJAYIJ-UHFFFAOYSA-N 1 2 344.371 1.865 20 5 EDBDLO Cc1cc(C2=CC[N@H+]([C@H](C)c3nnnn3C)CC2)cc([N+](=O)[O-])c1N ZINC000364067826 153136910 /nfs/dbraw/zinc/13/69/10/153136910.db2.gz ZIFABINKFRUBFT-LLVKDONJSA-N 1 2 343.391 1.859 20 5 EDBDLO Cc1cc(C2=CC[N@@H+]([C@H](C)c3nnnn3C)CC2)cc([N+](=O)[O-])c1N ZINC000364067826 153136911 /nfs/dbraw/zinc/13/69/11/153136911.db2.gz ZIFABINKFRUBFT-LLVKDONJSA-N 1 2 343.391 1.859 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000129518367 292286876 /nfs/dbraw/zinc/28/68/76/292286876.db2.gz BITNTONVEKGKMO-CQSZACIVSA-N 1 2 347.419 1.431 20 5 EDBDLO CN1C(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000369452200 155040290 /nfs/dbraw/zinc/04/02/90/155040290.db2.gz NQLZFQFKSZNBHU-LBPRGKRZSA-N 1 2 338.751 1.326 20 5 EDBDLO CN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000369452200 155040292 /nfs/dbraw/zinc/04/02/92/155040292.db2.gz NQLZFQFKSZNBHU-LBPRGKRZSA-N 1 2 338.751 1.326 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369637064 155117613 /nfs/dbraw/zinc/11/76/13/155117613.db2.gz HYXIAYSOONCCLJ-GFCCVEGCSA-N 1 2 329.360 1.829 20 5 EDBDLO Cc1cc(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)ncc1[N+](=O)[O-] ZINC000371600008 156023782 /nfs/dbraw/zinc/02/37/82/156023782.db2.gz ZRVYXWZMHIEEHT-UHFFFAOYSA-N 1 2 333.392 1.041 20 5 EDBDLO Cc1cc(N2CCC(N3CC[N@H+](C)CC3=O)CC2)ncc1[N+](=O)[O-] ZINC000371600008 156023785 /nfs/dbraw/zinc/02/37/85/156023785.db2.gz ZRVYXWZMHIEEHT-UHFFFAOYSA-N 1 2 333.392 1.041 20 5 EDBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371691702 156063482 /nfs/dbraw/zinc/06/34/82/156063482.db2.gz CDNHNNQKMQEOMB-HIFRSBDPSA-N 1 2 346.387 1.905 20 5 EDBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371691702 156063485 /nfs/dbraw/zinc/06/34/85/156063485.db2.gz CDNHNNQKMQEOMB-HIFRSBDPSA-N 1 2 346.387 1.905 20 5 EDBDLO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374051915 157123114 /nfs/dbraw/zinc/12/31/14/157123114.db2.gz ADRQIQXBJWJSBB-ZDUSSCGKSA-N 1 2 333.396 1.591 20 5 EDBDLO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374051915 157123116 /nfs/dbraw/zinc/12/31/16/157123116.db2.gz ADRQIQXBJWJSBB-ZDUSSCGKSA-N 1 2 333.396 1.591 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000275745063 268371542 /nfs/dbraw/zinc/37/15/42/268371542.db2.gz VUBGHWRETNRYMS-AWEZNQCLSA-N 1 2 347.350 1.596 20 5 EDBDLO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280508862 273364684 /nfs/dbraw/zinc/36/46/84/273364684.db2.gz CTUFHPBDGKNSMO-AWEZNQCLSA-N 1 2 340.767 1.384 20 5 EDBDLO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280508862 273364686 /nfs/dbraw/zinc/36/46/86/273364686.db2.gz CTUFHPBDGKNSMO-AWEZNQCLSA-N 1 2 340.767 1.384 20 5 EDBDLO COC(=O)c1cc(C)nc(N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000283685607 273928133 /nfs/dbraw/zinc/92/81/33/273928133.db2.gz YDTUELYHJALJOV-LLVKDONJSA-N 1 2 338.364 1.217 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000283946541 274021756 /nfs/dbraw/zinc/02/17/56/274021756.db2.gz FVFQSGRKMBJRIA-YFWHOBGESA-N 1 2 331.372 1.540 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000283946541 274021757 /nfs/dbraw/zinc/02/17/57/274021757.db2.gz FVFQSGRKMBJRIA-YFWHOBGESA-N 1 2 331.372 1.540 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284138779 274093329 /nfs/dbraw/zinc/09/33/29/274093329.db2.gz PQICGMNVHCTVHI-UONOGXRCSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284138779 274093331 /nfs/dbraw/zinc/09/33/31/274093331.db2.gz PQICGMNVHCTVHI-UONOGXRCSA-N 1 2 335.360 1.149 20 5 EDBDLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000284519207 274231963 /nfs/dbraw/zinc/23/19/63/274231963.db2.gz FQUVHICUWFUBOW-QWHCGFSZSA-N 1 2 334.332 1.226 20 5 EDBDLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000284519207 274231964 /nfs/dbraw/zinc/23/19/64/274231964.db2.gz FQUVHICUWFUBOW-QWHCGFSZSA-N 1 2 334.332 1.226 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000285664081 274610660 /nfs/dbraw/zinc/61/06/60/274610660.db2.gz FMZBRDZDHKPXDG-PWSUYJOCSA-N 1 2 325.390 1.592 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352358574 276258209 /nfs/dbraw/zinc/25/82/09/276258209.db2.gz ZBLYWTKPEBUFFP-UHFFFAOYSA-N 1 2 343.387 1.401 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000068660417 277000433 /nfs/dbraw/zinc/00/04/33/277000433.db2.gz UQWQZJYKFDAJRF-UHFFFAOYSA-N 1 2 329.360 1.011 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000338641815 277937958 /nfs/dbraw/zinc/93/79/58/277937958.db2.gz MNSXDKAXRBDMGO-LBPRGKRZSA-N 1 2 348.403 1.393 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286616687 288046509 /nfs/dbraw/zinc/04/65/09/288046509.db2.gz UQBWVFSBZGNHJQ-UKRRQHHQSA-N 1 2 348.403 1.599 20 5 EDBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000339071625 280327469 /nfs/dbraw/zinc/32/74/69/280327469.db2.gz JGVCHGOFRUNLSI-HNNXBMFYSA-N 1 2 337.376 1.273 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000350829983 288238429 /nfs/dbraw/zinc/23/84/29/288238429.db2.gz KOXQBXRTTAEIQQ-ZJUUUORDSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000350829983 288238431 /nfs/dbraw/zinc/23/84/31/288238431.db2.gz KOXQBXRTTAEIQQ-ZJUUUORDSA-N 1 2 331.369 1.447 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346685063 281261340 /nfs/dbraw/zinc/26/13/40/281261340.db2.gz IHBKIPLJRRXULR-HWWQOWPSSA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346685063 281261343 /nfs/dbraw/zinc/26/13/43/281261343.db2.gz IHBKIPLJRRXULR-HWWQOWPSSA-N 1 2 346.387 1.428 20 5 EDBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292427648 289344609 /nfs/dbraw/zinc/34/46/09/289344609.db2.gz NFSYRUSMOSXBEU-ZDUSSCGKSA-N 1 2 325.365 1.276 20 5 EDBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292427648 289344613 /nfs/dbraw/zinc/34/46/13/289344613.db2.gz NFSYRUSMOSXBEU-ZDUSSCGKSA-N 1 2 325.365 1.276 20 5 EDBDLO CCNC(=O)[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000293318774 289581474 /nfs/dbraw/zinc/58/14/74/289581474.db2.gz QVMHWOJQAGSULD-AWEZNQCLSA-N 1 2 347.375 1.895 20 5 EDBDLO COCC(COC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456201094 447320696 /nfs/dbraw/zinc/32/06/96/447320696.db2.gz BHVFHFHCDXVKFR-UHFFFAOYSA-N 1 2 334.332 1.172 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000341159188 303019829 /nfs/dbraw/zinc/01/98/29/303019829.db2.gz DOOOPSNCFNSPAM-CQSZACIVSA-N 1 2 343.387 1.782 20 5 EDBDLO O=CN1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000294234656 303081175 /nfs/dbraw/zinc/08/11/75/303081175.db2.gz ONTHQYPVCPSGQM-UHFFFAOYSA-N 1 2 330.344 1.914 20 5 EDBDLO O=CN1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000294234656 303081176 /nfs/dbraw/zinc/08/11/76/303081176.db2.gz ONTHQYPVCPSGQM-UHFFFAOYSA-N 1 2 330.344 1.914 20 5 EDBDLO COc1nccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000294909232 303154224 /nfs/dbraw/zinc/15/42/24/303154224.db2.gz SMJJRCCOXUQIBN-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302863025 303738181 /nfs/dbraw/zinc/73/81/81/303738181.db2.gz ROMJKSMGSJLVGO-LLVKDONJSA-N 1 2 336.367 1.523 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420436693 304806583 /nfs/dbraw/zinc/80/65/83/304806583.db2.gz BJQCUGYHDLWKRT-SECBINFHSA-N 1 2 339.295 1.009 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1CCO ZINC000428592613 305012662 /nfs/dbraw/zinc/01/26/62/305012662.db2.gz AERHKGWFZVXHOM-ZDUSSCGKSA-N 1 2 330.344 1.768 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446895432 305271632 /nfs/dbraw/zinc/27/16/32/305271632.db2.gz XLLMPSKZLRRUHM-UHFFFAOYSA-N 1 2 343.347 1.546 20 5 EDBDLO O=C(N[C@H]1CC[C@@H](CO)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452501819 305399945 /nfs/dbraw/zinc/39/99/45/305399945.db2.gz WBQANRNLGGDQBH-YPMHNXCESA-N 1 2 330.344 1.671 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC000544518387 306075708 /nfs/dbraw/zinc/07/57/08/306075708.db2.gz XEGNGHRXEPNISF-SECBINFHSA-N 1 2 349.347 1.974 20 5 EDBDLO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000548399160 306126806 /nfs/dbraw/zinc/12/68/06/306126806.db2.gz IVFQPSDTZFPFKP-TZMCWYRMSA-N 1 2 326.349 1.122 20 5 EDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC[C@H]1CCCO1 ZINC000007355361 441046737 /nfs/dbraw/zinc/04/67/37/441046737.db2.gz VOBWZARHVDBPCT-MRXNPFEDSA-N 1 2 348.403 1.012 20 5 EDBDLO COC(=O)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000007637043 441059510 /nfs/dbraw/zinc/05/95/10/441059510.db2.gz RCALVJMHQHBVLE-UHFFFAOYSA-N 1 2 335.360 1.727 20 5 EDBDLO Cc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)ncc1[N+](=O)[O-] ZINC000080605738 441182755 /nfs/dbraw/zinc/18/27/55/441182755.db2.gz QPGSCSKVEOZHPB-UHFFFAOYSA-N 1 2 326.422 1.553 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047931931 441239279 /nfs/dbraw/zinc/23/92/79/441239279.db2.gz BOPJICKDVFRZRE-LBPRGKRZSA-N 1 2 345.359 1.116 20 5 EDBDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596208 441380604 /nfs/dbraw/zinc/38/06/04/441380604.db2.gz PUIRODCHYALHJB-ZDUSSCGKSA-N 1 2 349.435 1.805 20 5 EDBDLO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000026348744 441375262 /nfs/dbraw/zinc/37/52/62/441375262.db2.gz PQVKAQPJGSKNBY-UHFFFAOYSA-N 1 2 348.281 1.415 20 5 EDBDLO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000026348744 441375265 /nfs/dbraw/zinc/37/52/65/441375265.db2.gz PQVKAQPJGSKNBY-UHFFFAOYSA-N 1 2 348.281 1.415 20 5 EDBDLO CCOC(=O)CCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347747 441375423 /nfs/dbraw/zinc/37/54/23/441375423.db2.gz UHVHSVLGAYFCEE-UHFFFAOYSA-N 1 2 337.376 1.486 20 5 EDBDLO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347747 441375425 /nfs/dbraw/zinc/37/54/25/441375425.db2.gz UHVHSVLGAYFCEE-UHFFFAOYSA-N 1 2 337.376 1.486 20 5 EDBDLO CC(=O)N1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000027564492 441406193 /nfs/dbraw/zinc/40/61/93/441406193.db2.gz IOGOLUBTBMGGAF-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO CC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000027564492 441406199 /nfs/dbraw/zinc/40/61/99/441406199.db2.gz IOGOLUBTBMGGAF-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867600 441490823 /nfs/dbraw/zinc/49/08/23/441490823.db2.gz UGBAOTOSAWQNAF-ZDUSSCGKSA-N 1 2 346.387 1.386 20 5 EDBDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000088757791 441519217 /nfs/dbraw/zinc/51/92/17/441519217.db2.gz QAVLCBGHKGTLAJ-AWEZNQCLSA-N 1 2 347.419 1.431 20 5 EDBDLO COc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000109765725 441506873 /nfs/dbraw/zinc/50/68/73/441506873.db2.gz OLCKLAHZIMVZQE-ZDUSSCGKSA-N 1 2 340.401 1.755 20 5 EDBDLO COc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000109765725 441506879 /nfs/dbraw/zinc/50/68/79/441506879.db2.gz OLCKLAHZIMVZQE-ZDUSSCGKSA-N 1 2 340.401 1.755 20 5 EDBDLO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000076269608 441620270 /nfs/dbraw/zinc/62/02/70/441620270.db2.gz VIQFLFRDFKWYKP-UHFFFAOYSA-N 1 2 329.364 1.467 20 5 EDBDLO CN(CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000173471747 441761818 /nfs/dbraw/zinc/76/18/18/441761818.db2.gz OMMFQDTXDMEUNA-CQSZACIVSA-N 1 2 348.403 1.010 20 5 EDBDLO CN(CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000173471747 441761824 /nfs/dbraw/zinc/76/18/24/441761824.db2.gz OMMFQDTXDMEUNA-CQSZACIVSA-N 1 2 348.403 1.010 20 5 EDBDLO CCc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174195801 441901780 /nfs/dbraw/zinc/90/17/80/441901780.db2.gz ZRGJUBKQBBXIRF-OLZOCXBDSA-N 1 2 335.404 1.996 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000126321790 442099312 /nfs/dbraw/zinc/09/93/12/442099312.db2.gz SBKDOVJJGYRZFU-DJNLSKAYSA-N 1 2 343.405 1.241 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000126321790 442099318 /nfs/dbraw/zinc/09/93/18/442099318.db2.gz SBKDOVJJGYRZFU-DJNLSKAYSA-N 1 2 343.405 1.241 20 5 EDBDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000121217121 442193409 /nfs/dbraw/zinc/19/34/09/442193409.db2.gz XOAMZFDGGPJHSC-LBPRGKRZSA-N 1 2 344.375 1.734 20 5 EDBDLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000121217121 442193413 /nfs/dbraw/zinc/19/34/13/442193413.db2.gz XOAMZFDGGPJHSC-LBPRGKRZSA-N 1 2 344.375 1.734 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000127356173 442196286 /nfs/dbraw/zinc/19/62/86/442196286.db2.gz QAJYKUWAJWKVEO-UHFFFAOYSA-N 1 2 345.359 1.058 20 5 EDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCO)CC1 ZINC000170698391 442249680 /nfs/dbraw/zinc/24/96/80/442249680.db2.gz PXKMUVKKBGGVTM-UHFFFAOYSA-N 1 2 328.756 1.390 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000127735480 442222663 /nfs/dbraw/zinc/22/26/63/442222663.db2.gz PKGCPDRKONGKSB-CYBMUJFWSA-N 1 2 349.435 1.969 20 5 EDBDLO COC(=O)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171081680 442308818 /nfs/dbraw/zinc/30/88/18/442308818.db2.gz PUEZQMNCZLKGDK-JTQLQIEISA-N 1 2 332.316 1.319 20 5 EDBDLO CN(C[C@H]1CCOC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177229613 442316740 /nfs/dbraw/zinc/31/67/40/442316740.db2.gz PYKTWIKPYYGRLR-GFCCVEGCSA-N 1 2 330.344 1.889 20 5 EDBDLO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC1 ZINC000133880608 442438187 /nfs/dbraw/zinc/43/81/87/442438187.db2.gz ZXHKHYJUILBYPT-UHFFFAOYSA-N 1 2 330.348 1.803 20 5 EDBDLO CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC1 ZINC000133880608 442438191 /nfs/dbraw/zinc/43/81/91/442438191.db2.gz ZXHKHYJUILBYPT-UHFFFAOYSA-N 1 2 330.348 1.803 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133948857 442442397 /nfs/dbraw/zinc/44/23/97/442442397.db2.gz PEIOOZDAFPLAHD-UHFFFAOYSA-N 1 2 342.783 1.773 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133948857 442442400 /nfs/dbraw/zinc/44/24/00/442442400.db2.gz PEIOOZDAFPLAHD-UHFFFAOYSA-N 1 2 342.783 1.773 20 5 EDBDLO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000134288971 442464433 /nfs/dbraw/zinc/46/44/33/442464433.db2.gz JYYJIDBDGAWWBQ-QWRGUYRKSA-N 1 2 325.340 1.573 20 5 EDBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)NC1CC1 ZINC000135225637 442571285 /nfs/dbraw/zinc/57/12/85/442571285.db2.gz ZUJCEWVMGIZZMF-UHFFFAOYSA-N 1 2 332.360 1.547 20 5 EDBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)NC1CC1 ZINC000135225637 442571287 /nfs/dbraw/zinc/57/12/87/442571287.db2.gz ZUJCEWVMGIZZMF-UHFFFAOYSA-N 1 2 332.360 1.547 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000157589835 442595710 /nfs/dbraw/zinc/59/57/10/442595710.db2.gz YCSBCZJCPNBCPO-IINYFYTJSA-N 1 2 339.417 1.766 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000157589835 442595714 /nfs/dbraw/zinc/59/57/14/442595714.db2.gz YCSBCZJCPNBCPO-IINYFYTJSA-N 1 2 339.417 1.766 20 5 EDBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000136019480 442646504 /nfs/dbraw/zinc/64/65/04/442646504.db2.gz ZKIFBAVPJZBPFP-UHFFFAOYSA-N 1 2 325.390 1.067 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265506120 442800691 /nfs/dbraw/zinc/80/06/91/442800691.db2.gz YVGXXJAHDDQMIL-UHFFFAOYSA-N 1 2 347.824 1.762 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1CC(C)(C)O ZINC000188608683 442769262 /nfs/dbraw/zinc/76/92/62/442769262.db2.gz OGZCLKLHCFEDJS-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1CC(C)(C)O ZINC000188608683 442769265 /nfs/dbraw/zinc/76/92/65/442769265.db2.gz OGZCLKLHCFEDJS-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[NH+]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000248142347 442883724 /nfs/dbraw/zinc/88/37/24/442883724.db2.gz QQQXJSJEPJQMGH-UHFFFAOYSA-N 1 2 335.407 1.929 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000248445359 442892644 /nfs/dbraw/zinc/89/26/44/442892644.db2.gz GNLUFUXIQYCAGA-BFHYXJOUSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000248445359 442892647 /nfs/dbraw/zinc/89/26/47/442892647.db2.gz GNLUFUXIQYCAGA-BFHYXJOUSA-N 1 2 349.387 1.078 20 5 EDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184470792 443025730 /nfs/dbraw/zinc/02/57/30/443025730.db2.gz OHEJSEQNHCYBOD-UHFFFAOYSA-N 1 2 336.392 1.360 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268716691 443087404 /nfs/dbraw/zinc/08/74/04/443087404.db2.gz UWBMOFWMNZYHHW-WBVHZDCISA-N 1 2 346.387 1.616 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000268716691 443087405 /nfs/dbraw/zinc/08/74/05/443087405.db2.gz UWBMOFWMNZYHHW-WBVHZDCISA-N 1 2 346.387 1.616 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185125038 443142869 /nfs/dbraw/zinc/14/28/69/443142869.db2.gz AKOPGTKMOWOHAC-DJNLSKAYSA-N 1 2 338.389 1.844 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000185125038 443142872 /nfs/dbraw/zinc/14/28/72/443142872.db2.gz AKOPGTKMOWOHAC-DJNLSKAYSA-N 1 2 338.389 1.844 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc[nH+]1 ZINC000185420672 443197541 /nfs/dbraw/zinc/19/75/41/443197541.db2.gz KCTJWQMVZDNATC-UHFFFAOYSA-N 1 2 341.371 1.964 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](CF)C1 ZINC000412440114 319233136 /nfs/dbraw/zinc/23/31/36/319233136.db2.gz VOUMVVCGANVTQJ-LBPRGKRZSA-N 1 2 334.307 1.591 20 5 EDBDLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185932848 443286560 /nfs/dbraw/zinc/28/65/60/443286560.db2.gz OIIKJLYUVVHKSL-MRXNPFEDSA-N 1 2 345.359 1.875 20 5 EDBDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185932848 443286562 /nfs/dbraw/zinc/28/65/62/443286562.db2.gz OIIKJLYUVVHKSL-MRXNPFEDSA-N 1 2 345.359 1.875 20 5 EDBDLO C[C@H]1CC(O)C[C@H](C)[NH+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191276895 443270598 /nfs/dbraw/zinc/27/05/98/443270598.db2.gz RVVSUZPFHBKZEA-RYUDHWBXSA-N 1 2 342.417 1.602 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000269492635 443324961 /nfs/dbraw/zinc/32/49/61/443324961.db2.gz XXUJUPKPAJFQQU-UHFFFAOYSA-N 1 2 339.396 1.282 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000269492635 443324963 /nfs/dbraw/zinc/32/49/63/443324963.db2.gz XXUJUPKPAJFQQU-UHFFFAOYSA-N 1 2 339.396 1.282 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272472353 443330374 /nfs/dbraw/zinc/33/03/74/443330374.db2.gz FQTHXGJDYFZFCF-LBPRGKRZSA-N 1 2 329.303 1.133 20 5 EDBDLO C[N@H+]1CCO[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272472353 443330378 /nfs/dbraw/zinc/33/03/78/443330378.db2.gz FQTHXGJDYFZFCF-LBPRGKRZSA-N 1 2 329.303 1.133 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000269377431 443298062 /nfs/dbraw/zinc/29/80/62/443298062.db2.gz IONYOAPWKGTMKI-UHFFFAOYSA-N 1 2 335.368 1.171 20 5 EDBDLO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000282596456 443384715 /nfs/dbraw/zinc/38/47/15/443384715.db2.gz XNFMNOZIQFDROK-ZDUSSCGKSA-N 1 2 348.359 1.003 20 5 EDBDLO 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O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821271441 594004602 /nfs/dbraw/zinc/00/46/02/594004602.db2.gz RPHPNWLNQOKLGF-UHFFFAOYSA-N 1 2 335.751 1.968 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000824950503 594103510 /nfs/dbraw/zinc/10/35/10/594103510.db2.gz OXZSDYWIRMLSMK-UTJXIGIESA-N 1 2 347.415 1.924 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000824950503 594103513 /nfs/dbraw/zinc/10/35/13/594103513.db2.gz OXZSDYWIRMLSMK-UTJXIGIESA-N 1 2 347.415 1.924 20 5 EDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1cn2c([nH+]1)CCCC2 ZINC000823625521 594222715 /nfs/dbraw/zinc/22/27/15/594222715.db2.gz XNQOFRGFXNIKBO-UHFFFAOYSA-N 1 2 341.335 1.315 20 5 EDBDLO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)c(-c2nn[nH]n2)c1 ZINC000823651496 594224709 /nfs/dbraw/zinc/22/47/09/594224709.db2.gz MICNJGCBEMHCRB-UHFFFAOYSA-N 1 2 337.303 1.430 20 5 EDBDLO Cc1nn(C)c(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000826724868 594565254 /nfs/dbraw/zinc/56/52/54/594565254.db2.gz RMCYNVSBQPLDQI-ZDUSSCGKSA-N 1 2 329.360 1.553 20 5 EDBDLO Cc1nn(C)c(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000826724868 594565256 /nfs/dbraw/zinc/56/52/56/594565256.db2.gz RMCYNVSBQPLDQI-ZDUSSCGKSA-N 1 2 329.360 1.553 20 5 EDBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1=O ZINC000832927053 594785505 /nfs/dbraw/zinc/78/55/05/594785505.db2.gz MUSBMIGSBBEXLG-OAHLLOKOSA-N 1 2 330.300 1.216 20 5 EDBDLO C[C@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CNC(=O)C1 ZINC000835327712 594813581 /nfs/dbraw/zinc/81/35/81/594813581.db2.gz YZCRYVYBXDBQKF-MRXNPFEDSA-N 1 2 344.327 1.464 20 5 EDBDLO O=C(O[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835442113 594828299 /nfs/dbraw/zinc/82/82/99/594828299.db2.gz GPNUEIDYVFUIEA-NSHDSACASA-N 1 2 330.300 1.216 20 5 EDBDLO CC(=O)N[C@H](C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835720531 594866286 /nfs/dbraw/zinc/86/62/86/594866286.db2.gz LKHRCXBQTGJKJR-SNVBAGLBSA-N 1 2 332.316 1.462 20 5 EDBDLO NC(C[NH+]1CCSCC1)=NOCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842649272 595156442 /nfs/dbraw/zinc/15/64/42/595156442.db2.gz FBSHOQKACOZEEG-UHFFFAOYSA-N 1 2 328.369 1.781 20 5 EDBDLO COc1ccc(CO[NH+]=C(N)COC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000842656058 595160265 /nfs/dbraw/zinc/16/02/65/595160265.db2.gz BPLIGTZJGHCVPZ-LBPRGKRZSA-N 1 2 339.348 1.655 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n1C ZINC000844707674 595379771 /nfs/dbraw/zinc/37/97/71/595379771.db2.gz GILXPDDOYTXZQB-CQSZACIVSA-N 1 2 331.376 1.636 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n1C ZINC000844707674 595379773 /nfs/dbraw/zinc/37/97/73/595379773.db2.gz GILXPDDOYTXZQB-CQSZACIVSA-N 1 2 331.376 1.636 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000847956973 595504207 /nfs/dbraw/zinc/50/42/07/595504207.db2.gz SDOIRDKHORHCDN-JTQLQIEISA-N 1 2 330.348 1.325 20 5 EDBDLO CN(C)C(=O)OCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855652887 595783275 /nfs/dbraw/zinc/78/32/75/595783275.db2.gz WTVAHNHHTOXOOT-UHFFFAOYSA-N 1 2 347.331 1.209 20 5 EDBDLO COC(=O)N(C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853873676 595907840 /nfs/dbraw/zinc/90/78/40/595907840.db2.gz ULSCBRVIAMKCEE-UHFFFAOYSA-N 1 2 345.359 1.892 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1F ZINC000851856242 595949251 /nfs/dbraw/zinc/94/92/51/595949251.db2.gz LWIHVUHCNMQODR-SECBINFHSA-N 1 2 342.352 1.815 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000859877335 596213708 /nfs/dbraw/zinc/21/37/08/596213708.db2.gz LJFWFNXFDVOOAV-QLFBSQMISA-N 1 2 340.401 1.280 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000859877335 596213712 /nfs/dbraw/zinc/21/37/12/596213712.db2.gz LJFWFNXFDVOOAV-QLFBSQMISA-N 1 2 340.401 1.280 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000871688832 596672274 /nfs/dbraw/zinc/67/22/74/596672274.db2.gz SLDWSNOLUHPDKN-ZDUSSCGKSA-N 1 2 338.433 1.992 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000871688832 596672275 /nfs/dbraw/zinc/67/22/75/596672275.db2.gz SLDWSNOLUHPDKN-ZDUSSCGKSA-N 1 2 338.433 1.992 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863764050 596679520 /nfs/dbraw/zinc/67/95/20/596679520.db2.gz LEBNYBWXQCTVID-VXGBXAGGSA-N 1 2 342.311 1.026 20 5 EDBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000879219799 597854725 /nfs/dbraw/zinc/85/47/25/597854725.db2.gz XCDBWJVNEAMNSR-RYUDHWBXSA-N 1 2 337.380 1.485 20 5 EDBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000879219799 597854727 /nfs/dbraw/zinc/85/47/27/597854727.db2.gz XCDBWJVNEAMNSR-RYUDHWBXSA-N 1 2 337.380 1.485 20 5 EDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000882763446 598046919 /nfs/dbraw/zinc/04/69/19/598046919.db2.gz OJURWOSRXMMLGB-SNVBAGLBSA-N 1 2 347.824 1.929 20 5 EDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000882763446 598046921 /nfs/dbraw/zinc/04/69/21/598046921.db2.gz OJURWOSRXMMLGB-SNVBAGLBSA-N 1 2 347.824 1.929 20 5 EDBDLO O=[N+]([O-])c1ccc(NCc2cn3c([nH+]2)CCCC3)c(-c2nn[nH]n2)c1 ZINC000738371612 598395240 /nfs/dbraw/zinc/39/52/40/598395240.db2.gz UKPBMAACKYWFPU-UHFFFAOYSA-N 1 2 340.347 1.920 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2nn[nH]n2)c1 ZINC000738368659 598502523 /nfs/dbraw/zinc/50/25/23/598502523.db2.gz HPWCNXZFNDIJES-SNVBAGLBSA-N 1 2 341.335 1.208 20 5 EDBDLO CC1([NH2+]Cc2noc(C3CC3)n2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940109167 700222107 /nfs/dbraw/zinc/22/21/07/700222107.db2.gz NMMJEYFZMOPDBO-VXGBXAGGSA-N 1 2 349.391 1.083 20 5 EDBDLO O=C(NC1CC[NH+](Cc2cnc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002781420 709386916 /nfs/dbraw/zinc/38/69/16/709386916.db2.gz BRRIEDSKBOOBQT-GHMZBOCLSA-N 1 2 344.824 1.542 20 5 EDBDLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001002788243 709394394 /nfs/dbraw/zinc/39/43/94/709394394.db2.gz OXYMXWSNMGCCMT-CHWSQXEVSA-N 1 2 336.392 1.544 20 5 EDBDLO Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816970 711199791 /nfs/dbraw/zinc/19/97/91/711199791.db2.gz XSCYERUEHXSHAB-GDBMZVCRSA-N 1 2 344.371 1.554 20 5 EDBDLO CNC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000412056727 303959696 /nfs/dbraw/zinc/95/96/96/303959696.db2.gz UUODAVFQEJYNCS-UHFFFAOYSA-N 1 2 332.364 1.365 20 5 EDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000174529503 231232465 /nfs/dbraw/zinc/23/24/65/231232465.db2.gz LNUDXDBFDYAMTN-VIFPVBQESA-N 1 2 327.304 1.390 20 5 EDBDLO Nc1c(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000178159571 232097147 /nfs/dbraw/zinc/09/71/47/232097147.db2.gz OZOQSUBUJHRTET-UHFFFAOYSA-N 1 2 341.371 1.530 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000104591030 219396339 /nfs/dbraw/zinc/39/63/39/219396339.db2.gz QTWBLBKWCPJKMC-QWHCGFSZSA-N 1 2 337.376 1.199 20 5 EDBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000565583149 306386938 /nfs/dbraw/zinc/38/69/38/306386938.db2.gz AHZVAYYWNAMTEA-UHFFFAOYSA-N 1 2 335.408 1.136 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]2N1 ZINC000133094832 223387952 /nfs/dbraw/zinc/38/79/52/223387952.db2.gz RHEWBBPNSMUCBU-BPUTZDHNSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]2N1 ZINC000133094832 223387955 /nfs/dbraw/zinc/38/79/55/223387955.db2.gz RHEWBBPNSMUCBU-BPUTZDHNSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000378314720 284116886 /nfs/dbraw/zinc/11/68/86/284116886.db2.gz UJRGYZWTHQKTBB-SECBINFHSA-N 1 2 331.288 1.513 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000378314720 284116888 /nfs/dbraw/zinc/11/68/88/284116888.db2.gz UJRGYZWTHQKTBB-SECBINFHSA-N 1 2 331.288 1.513 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000110920717 220079224 /nfs/dbraw/zinc/07/92/24/220079224.db2.gz XUMPRBUTXRLCPB-UHFFFAOYSA-N 1 2 340.355 1.110 20 5 EDBDLO CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000450397570 254665888 /nfs/dbraw/zinc/66/58/88/254665888.db2.gz YXBQBCRPERAYCV-LBPRGKRZSA-N 1 2 346.343 1.852 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000263819746 139362556 /nfs/dbraw/zinc/36/25/56/139362556.db2.gz PPMYKAHSRPOLFY-UHFFFAOYSA-N 1 2 346.391 1.928 20 5 EDBDLO C[C@H]([C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000154280372 224231126 /nfs/dbraw/zinc/23/11/26/224231126.db2.gz NJFNKHCXSGIKOF-WDMOLILDSA-N 1 2 330.406 1.382 20 5 EDBDLO C[C@H]([C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000154280372 224231127 /nfs/dbraw/zinc/23/11/27/224231127.db2.gz NJFNKHCXSGIKOF-WDMOLILDSA-N 1 2 330.406 1.382 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1=O ZINC000495242361 255275030 /nfs/dbraw/zinc/27/50/30/255275030.db2.gz SMQDSNUFBITNGS-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1=O ZINC000495242361 255275031 /nfs/dbraw/zinc/27/50/31/255275031.db2.gz SMQDSNUFBITNGS-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264111295 139381155 /nfs/dbraw/zinc/38/11/55/139381155.db2.gz GNIYZVUFXHBJRL-UHFFFAOYSA-N 1 2 344.375 1.360 20 5 EDBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000347378100 533383137 /nfs/dbraw/zinc/38/31/37/533383137.db2.gz NEWIEFVEDVIIHW-SMJHDNPOSA-N 1 2 330.344 1.234 20 5 EDBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000347378100 533383143 /nfs/dbraw/zinc/38/31/43/533383143.db2.gz NEWIEFVEDVIIHW-SMJHDNPOSA-N 1 2 330.344 1.234 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000174917698 533327526 /nfs/dbraw/zinc/32/75/26/533327526.db2.gz NGYLYOHDWDEXEN-JTQLQIEISA-N 1 2 335.364 1.055 20 5 EDBDLO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265008954 139449459 /nfs/dbraw/zinc/44/94/59/139449459.db2.gz FLOBYTYBYGBKKD-LBPRGKRZSA-N 1 2 347.371 1.808 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000270758992 140163456 /nfs/dbraw/zinc/16/34/56/140163456.db2.gz LTIPJZZWAGNUDE-UHFFFAOYSA-N 1 2 330.348 1.254 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)n1 ZINC000331812732 141083980 /nfs/dbraw/zinc/08/39/80/141083980.db2.gz NZQNLFSDMIRQIE-UHFFFAOYSA-N 1 2 332.364 1.616 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000332099972 141122972 /nfs/dbraw/zinc/12/29/72/141122972.db2.gz PQQILRNGWPNUPT-UHFFFAOYSA-N 1 2 335.389 1.646 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000332099972 141122974 /nfs/dbraw/zinc/12/29/74/141122974.db2.gz PQQILRNGWPNUPT-UHFFFAOYSA-N 1 2 335.389 1.646 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000353390618 149388345 /nfs/dbraw/zinc/38/83/45/149388345.db2.gz UQYVNSXOMZCFAJ-JKSUJKDBSA-N 1 2 347.415 1.804 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000353390618 149388347 /nfs/dbraw/zinc/38/83/47/149388347.db2.gz UQYVNSXOMZCFAJ-JKSUJKDBSA-N 1 2 347.415 1.804 20 5 EDBDLO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000355328889 150220244 /nfs/dbraw/zinc/22/02/44/150220244.db2.gz YUNBBVJJVPSVGD-OCCSQVGLSA-N 1 2 335.360 1.236 20 5 EDBDLO COc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1F ZINC000362323532 286217703 /nfs/dbraw/zinc/21/77/03/286217703.db2.gz JBASVILUUMGVQR-SNVBAGLBSA-N 1 2 346.380 1.609 20 5 EDBDLO 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329.360 1.716 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000184394899 443017595 /nfs/dbraw/zinc/01/75/95/443017595.db2.gz YJQAHXIELMOLGD-AWEZNQCLSA-N 1 2 348.403 1.504 20 5 EDBDLO CCOC(=O)CC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000296278851 318681628 /nfs/dbraw/zinc/68/16/28/318681628.db2.gz RCPITYHPHZXWNG-CYBMUJFWSA-N 1 2 338.360 1.362 20 5 EDBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1=O ZINC000195235737 443000596 /nfs/dbraw/zinc/00/05/96/443000596.db2.gz PZYMQRPNYIHXQO-LLVKDONJSA-N 1 2 345.277 1.716 20 5 EDBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1=O ZINC000195235737 443000597 /nfs/dbraw/zinc/00/05/97/443000597.db2.gz PZYMQRPNYIHXQO-LLVKDONJSA-N 1 2 345.277 1.716 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000413967711 319307097 /nfs/dbraw/zinc/30/70/97/319307097.db2.gz QSZNAASWSIYEPX-UHFFFAOYSA-N 1 2 347.375 1.312 20 5 EDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnnn1CC(F)(F)F 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440278696 320068846 /nfs/dbraw/zinc/06/88/46/320068846.db2.gz BAFCIWAIXVCUJR-NSHDSACASA-N 1 2 334.376 1.313 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000285281701 443925097 /nfs/dbraw/zinc/92/50/97/443925097.db2.gz JMJUHIGTVZEKAV-JTQLQIEISA-N 1 2 347.824 1.963 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000285281701 443925101 /nfs/dbraw/zinc/92/51/01/443925101.db2.gz JMJUHIGTVZEKAV-JTQLQIEISA-N 1 2 347.824 1.963 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000281599494 443955337 /nfs/dbraw/zinc/95/53/37/443955337.db2.gz XZHLQMNWHLLCCR-CYBMUJFWSA-N 1 2 345.407 1.620 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000281599494 443955339 /nfs/dbraw/zinc/95/53/39/443955339.db2.gz XZHLQMNWHLLCCR-CYBMUJFWSA-N 1 2 345.407 1.620 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 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ZINC000339091674 445028113 /nfs/dbraw/zinc/02/81/13/445028113.db2.gz OVEPYQBANVAYKV-OCCSQVGLSA-N 1 2 338.360 1.843 20 5 EDBDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091674 445028117 /nfs/dbraw/zinc/02/81/17/445028117.db2.gz OVEPYQBANVAYKV-OCCSQVGLSA-N 1 2 338.360 1.843 20 5 EDBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000341794443 445004830 /nfs/dbraw/zinc/00/48/30/445004830.db2.gz YOPUFRGOSVRQCY-ZFWWWQNUSA-N 1 2 330.344 1.766 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339065478 445015975 /nfs/dbraw/zinc/01/59/75/445015975.db2.gz FMALPWAVQKSDGK-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO CNc1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000343291286 445183808 /nfs/dbraw/zinc/18/38/08/445183808.db2.gz BYTDEVIWRKLWSI-KBPBESRZSA-N 1 2 334.376 1.182 20 5 EDBDLO CNc1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000343291286 445183814 /nfs/dbraw/zinc/18/38/14/445183814.db2.gz BYTDEVIWRKLWSI-KBPBESRZSA-N 1 2 334.376 1.182 20 5 EDBDLO CO[C@@H]1C[C@H](CO)N(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000343360759 445209811 /nfs/dbraw/zinc/20/98/11/445209811.db2.gz WQROWDAAKMPUAB-HUUCEWRRSA-N 1 2 344.371 1.946 20 5 EDBDLO C[C@H]1[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343448863 445225286 /nfs/dbraw/zinc/22/52/86/445225286.db2.gz CHEQXAOHNDGYHM-QWRGUYRKSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@H]1[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343448863 445225287 /nfs/dbraw/zinc/22/52/87/445225287.db2.gz CHEQXAOHNDGYHM-QWRGUYRKSA-N 1 2 327.406 1.893 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CCO)C2)cc1 ZINC000343529094 445239169 /nfs/dbraw/zinc/23/91/69/445239169.db2.gz LYPZHRRPATYAOP-LBPRGKRZSA-N 1 2 328.390 1.073 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000343529094 445239170 /nfs/dbraw/zinc/23/91/70/445239170.db2.gz LYPZHRRPATYAOP-LBPRGKRZSA-N 1 2 328.390 1.073 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000348345558 445263245 /nfs/dbraw/zinc/26/32/45/445263245.db2.gz SNTXECVAHFNCGL-JSGCOSHPSA-N 1 2 335.360 1.149 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000348345558 445263247 /nfs/dbraw/zinc/26/32/47/445263247.db2.gz SNTXECVAHFNCGL-JSGCOSHPSA-N 1 2 335.360 1.149 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000354905004 445432390 /nfs/dbraw/zinc/43/23/90/445432390.db2.gz SREMIGXKCPENHE-ZDUSSCGKSA-N 1 2 349.387 1.518 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000354905004 445432395 /nfs/dbraw/zinc/43/23/95/445432395.db2.gz SREMIGXKCPENHE-ZDUSSCGKSA-N 1 2 349.387 1.518 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000359829669 445450184 /nfs/dbraw/zinc/45/01/84/445450184.db2.gz GOPKMHPIGKKGFP-LBPRGKRZSA-N 1 2 329.316 1.261 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000362893992 445599839 /nfs/dbraw/zinc/59/98/39/445599839.db2.gz WMWVKRWDFCALQF-CYBMUJFWSA-N 1 2 327.406 1.556 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000362893992 445599841 /nfs/dbraw/zinc/59/98/41/445599841.db2.gz WMWVKRWDFCALQF-CYBMUJFWSA-N 1 2 327.406 1.556 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000362881947 445594910 /nfs/dbraw/zinc/59/49/10/445594910.db2.gz CSEZLKXFPZLNKL-SNVBAGLBSA-N 1 2 333.435 1.617 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000362881947 445594912 /nfs/dbraw/zinc/59/49/12/445594912.db2.gz CSEZLKXFPZLNKL-SNVBAGLBSA-N 1 2 333.435 1.617 20 5 EDBDLO COCCOC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000358674550 445708039 /nfs/dbraw/zinc/70/80/39/445708039.db2.gz ZTLYHBZNYTYLEE-LBPRGKRZSA-N 1 2 348.359 1.562 20 5 EDBDLO O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353798968 445760816 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KSYLYNZRFKDVSL-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO COC(=O)c1cnc(N2CCn3c(C)c(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000365058060 445998635 /nfs/dbraw/zinc/99/86/35/445998635.db2.gz GHFKOKPHOXNKIG-UHFFFAOYSA-N 1 2 331.332 1.610 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)c1[N+](=O)[O-] ZINC000373072603 446007762 /nfs/dbraw/zinc/00/77/62/446007762.db2.gz YGSQDPNFFORLFK-NSHDSACASA-N 1 2 346.391 1.944 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000373169148 446070868 /nfs/dbraw/zinc/07/08/68/446070868.db2.gz YFRWSIILBPWUMD-UHFFFAOYSA-N 1 2 348.403 1.153 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000373169148 446070873 /nfs/dbraw/zinc/07/08/73/446070873.db2.gz YFRWSIILBPWUMD-UHFFFAOYSA-N 1 2 348.403 1.153 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCc2c([nH+]cn2C)C1 ZINC000369313579 446067456 /nfs/dbraw/zinc/06/74/56/446067456.db2.gz CQGWAHGVZVOGKU-UHFFFAOYSA-N 1 2 330.344 1.926 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000354414088 446187952 /nfs/dbraw/zinc/18/79/52/446187952.db2.gz LJQRJKIGLZISQN-UHFFFAOYSA-N 1 2 339.311 1.581 20 5 EDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000365457983 446217133 /nfs/dbraw/zinc/21/71/33/446217133.db2.gz IVUUUGVNUVBIBQ-JTQLQIEISA-N 1 2 340.343 1.546 20 5 EDBDLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362327258 446321613 /nfs/dbraw/zinc/32/16/13/446321613.db2.gz XOADAMAVFVIWIJ-LLVKDONJSA-N 1 2 346.395 1.418 20 5 EDBDLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362327258 446321617 /nfs/dbraw/zinc/32/16/17/446321617.db2.gz XOADAMAVFVIWIJ-LLVKDONJSA-N 1 2 346.395 1.418 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367490446 446554553 /nfs/dbraw/zinc/55/45/53/446554553.db2.gz ONYCMOVYWOATOE-NSHDSACASA-N 1 2 349.359 1.439 20 5 EDBDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375390420 446766853 /nfs/dbraw/zinc/76/68/53/446766853.db2.gz ITLDRQMPKZLOMS-ZJUUUORDSA-N 1 2 349.313 1.495 20 5 EDBDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375390420 446766860 /nfs/dbraw/zinc/76/68/60/446766860.db2.gz ITLDRQMPKZLOMS-ZJUUUORDSA-N 1 2 349.313 1.495 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@H](CF)C1 ZINC000413473563 447192616 /nfs/dbraw/zinc/19/26/16/447192616.db2.gz MDBQGTMULGTARC-CQSZACIVSA-N 1 2 339.367 1.602 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377582807 447223187 /nfs/dbraw/zinc/22/31/87/447223187.db2.gz KSLGXKPCZZFSIK-NSHDSACASA-N 1 2 333.348 1.807 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377582807 447223194 /nfs/dbraw/zinc/22/31/94/447223194.db2.gz KSLGXKPCZZFSIK-NSHDSACASA-N 1 2 333.348 1.807 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408084838 447627745 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CC(C)NC(=O)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560267 449336784 /nfs/dbraw/zinc/33/67/84/449336784.db2.gz INAXEJNXSYOHKB-OAHLLOKOSA-N 1 2 331.376 1.532 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602197427 449425464 /nfs/dbraw/zinc/42/54/64/449425464.db2.gz DTAPMNOGCIGDQI-UHFFFAOYSA-N 1 2 330.344 1.583 20 5 EDBDLO COC(=O)[C@@](C)(NC(=O)CCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000600534974 449428874 /nfs/dbraw/zinc/42/88/74/449428874.db2.gz IKMYHTHMTADVOV-INIZCTEOSA-N 1 2 346.343 1.455 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000598605440 449488652 /nfs/dbraw/zinc/48/86/52/449488652.db2.gz BZWIDPVRIRZPNO-UHFFFAOYSA-N 1 2 336.373 1.654 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000598615570 449495386 /nfs/dbraw/zinc/49/53/86/449495386.db2.gz YYUJDLRWTYYYJR-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000598615570 449495391 /nfs/dbraw/zinc/49/53/91/449495391.db2.gz YYUJDLRWTYYYJR-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO C[C@@H]1C[N@H+](CCNc2nc3sccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426865 449497382 /nfs/dbraw/zinc/49/73/82/449497382.db2.gz CHLXDLQSSGJDRZ-VHSXEESVSA-N 1 2 325.394 1.825 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426865 449497388 /nfs/dbraw/zinc/49/73/88/449497388.db2.gz CHLXDLQSSGJDRZ-VHSXEESVSA-N 1 2 325.394 1.825 20 5 EDBDLO C[C@@H](c1[nH+]ccn1C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600704929 449505623 /nfs/dbraw/zinc/50/56/23/449505623.db2.gz WXADUIJCDKIDLI-MGPLVRAMSA-N 1 2 343.343 1.857 20 5 EDBDLO COc1cc2c(cc1OC)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602432885 449582239 /nfs/dbraw/zinc/58/22/39/449582239.db2.gz IDCABWNNMQVJSG-UHFFFAOYSA-N 1 2 332.360 1.904 20 5 EDBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602432885 449582244 /nfs/dbraw/zinc/58/22/44/449582244.db2.gz IDCABWNNMQVJSG-UHFFFAOYSA-N 1 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449750721 /nfs/dbraw/zinc/75/07/21/449750721.db2.gz GRPOGMLXRPPZNB-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO C[C@]1(CO)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000599163297 449772449 /nfs/dbraw/zinc/77/24/49/449772449.db2.gz FZQQZTFXLFHXGA-CALCHBBNSA-N 1 2 331.372 1.960 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000612630873 449809059 /nfs/dbraw/zinc/80/90/59/449809059.db2.gz GOHBMXJXODMCGE-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000612630873 449809064 /nfs/dbraw/zinc/80/90/64/449809064.db2.gz GOHBMXJXODMCGE-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])CC2 ZINC000601390989 449906687 /nfs/dbraw/zinc/90/66/87/449906687.db2.gz KAYITYYAFOHVFO-UHFFFAOYSA-N 1 2 342.402 1.674 20 5 EDBDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000595289394 450005612 /nfs/dbraw/zinc/00/56/12/450005612.db2.gz DHFPOVYXAAMDCJ-HZPDHXFCSA-N 1 2 348.447 1.826 20 5 EDBDLO CNC(=O)NC[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599539473 450048561 /nfs/dbraw/zinc/04/85/61/450048561.db2.gz FQPAVXFAXRXAMP-OCCSQVGLSA-N 1 2 336.392 1.594 20 5 EDBDLO CNC(=O)NC[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599539473 450048566 /nfs/dbraw/zinc/04/85/66/450048566.db2.gz FQPAVXFAXRXAMP-OCCSQVGLSA-N 1 2 336.392 1.594 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000599562717 450062434 /nfs/dbraw/zinc/06/24/34/450062434.db2.gz FIPOBZBARJIOKB-HNNXBMFYSA-N 1 2 342.323 1.506 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000599562717 450062440 /nfs/dbraw/zinc/06/24/40/450062440.db2.gz FIPOBZBARJIOKB-HNNXBMFYSA-N 1 2 342.323 1.506 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848880 450105537 /nfs/dbraw/zinc/10/55/37/450105537.db2.gz JWAGVCFICAFUFN-GFCCVEGCSA-N 1 2 337.376 1.636 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848880 450105541 /nfs/dbraw/zinc/10/55/41/450105541.db2.gz JWAGVCFICAFUFN-GFCCVEGCSA-N 1 2 337.376 1.636 20 5 EDBDLO O=[N+]([O-])c1ccc(CCn2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000603199839 450137072 /nfs/dbraw/zinc/13/70/72/450137072.db2.gz YTABGQHUIIODGS-UHFFFAOYSA-N 1 2 331.376 1.304 20 5 EDBDLO COc1cc(C[NH+]2CCN(c3ncns3)CC2)ccc1[N+](=O)[O-] ZINC000595515444 450200266 /nfs/dbraw/zinc/20/02/66/450200266.db2.gz JNKNAUIZSOTWFK-UHFFFAOYSA-N 1 2 335.389 1.777 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708299 450211596 /nfs/dbraw/zinc/21/15/96/450211596.db2.gz XYOIGMGPFPVZDI-CQSZACIVSA-N 1 2 349.387 1.540 20 5 EDBDLO Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597710249 450213649 /nfs/dbraw/zinc/21/36/49/450213649.db2.gz RMKUDMZBMWHMFP-AWEZNQCLSA-N 1 2 333.388 1.840 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000618469765 450214199 /nfs/dbraw/zinc/21/41/99/450214199.db2.gz UWPBKHSFKCFBKE-ZDUSSCGKSA-N 1 2 349.387 1.613 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000618469765 450214205 /nfs/dbraw/zinc/21/42/05/450214205.db2.gz UWPBKHSFKCFBKE-ZDUSSCGKSA-N 1 2 349.387 1.613 20 5 EDBDLO CCOc1ccc(NC(=O)CN2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000595493257 450182858 /nfs/dbraw/zinc/18/28/58/450182858.db2.gz FIMPUEJZLYIOOF-UHFFFAOYSA-N 1 2 345.359 1.644 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595504504 450193358 /nfs/dbraw/zinc/19/33/58/450193358.db2.gz DXVPARZUTODLIH-AWEZNQCLSA-N 1 2 344.371 1.824 20 5 EDBDLO Cc1noc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595504504 450193364 /nfs/dbraw/zinc/19/33/64/450193364.db2.gz DXVPARZUTODLIH-AWEZNQCLSA-N 1 2 344.371 1.824 20 5 EDBDLO COC1(CO)CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000618551375 450240655 /nfs/dbraw/zinc/24/06/55/450240655.db2.gz ZGSUPBXBYPJYRQ-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO Cc1sc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603508312 450316583 /nfs/dbraw/zinc/31/65/83/450316583.db2.gz QRTSGRNJYCLRFN-LBPRGKRZSA-N 1 2 339.417 1.902 20 5 EDBDLO COc1cc(CNc2ccc(-n3cncn3)c[nH+]2)cc([N+](=O)[O-])c1O ZINC000616206062 450354436 /nfs/dbraw/zinc/35/44/36/450354436.db2.gz PXSZDEGWBHGWCA-UHFFFAOYSA-N 1 2 342.315 1.897 20 5 EDBDLO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610913664 450380106 /nfs/dbraw/zinc/38/01/06/450380106.db2.gz PCHBRUGPBAUFDJ-MRXNPFEDSA-N 1 2 347.415 1.806 20 5 EDBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000273571141 486836789 /nfs/dbraw/zinc/83/67/89/486836789.db2.gz GBOGLBBAHJSGLM-VIFPVBQESA-N 1 2 347.400 1.995 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269609017 485835418 /nfs/dbraw/zinc/83/54/18/485835418.db2.gz DQCPCTRACBTXMN-UHFFFAOYSA-N 1 2 342.346 1.521 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269609017 485835425 /nfs/dbraw/zinc/83/54/25/485835425.db2.gz DQCPCTRACBTXMN-UHFFFAOYSA-N 1 2 342.346 1.521 20 5 EDBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nnc1C ZINC000359502848 491007162 /nfs/dbraw/zinc/00/71/62/491007162.db2.gz MITXBLOSTWDEAQ-UHFFFAOYSA-N 1 2 338.327 2.440 20 5 EDBDLO C[C@@H](C[S@@](C)=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181634182 534218482 /nfs/dbraw/zinc/21/84/82/534218482.db2.gz VRGCFIKMWIINOM-SDWAUSNYSA-N 1 2 336.373 1.277 20 5 EDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180838073 527960729 /nfs/dbraw/zinc/96/07/29/527960729.db2.gz JMCPJJIAQKZYTR-UHFFFAOYSA-N 1 2 336.392 1.360 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000331623495 535320751 /nfs/dbraw/zinc/32/07/51/535320751.db2.gz QPKFTPLXHBBTTO-LBPRGKRZSA-N 1 2 344.375 1.623 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000331623495 535320753 /nfs/dbraw/zinc/32/07/53/535320753.db2.gz QPKFTPLXHBBTTO-LBPRGKRZSA-N 1 2 344.375 1.623 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000130614964 535326728 /nfs/dbraw/zinc/32/67/28/535326728.db2.gz YQMXNRWWPAKORV-JSGCOSHPSA-N 1 2 348.403 1.912 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000130614964 535326732 /nfs/dbraw/zinc/32/67/32/535326732.db2.gz YQMXNRWWPAKORV-JSGCOSHPSA-N 1 2 348.403 1.912 20 5 EDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000331352565 536374326 /nfs/dbraw/zinc/37/43/26/536374326.db2.gz XIJPSIAQODRSHW-UHFFFAOYSA-N 1 2 336.392 1.360 20 5 EDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000331352565 536374329 /nfs/dbraw/zinc/37/43/29/536374329.db2.gz XIJPSIAQODRSHW-UHFFFAOYSA-N 1 2 336.392 1.360 20 5 EDBDLO COC(=O)[C@]1(C)CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759754442 580013968 /nfs/dbraw/zinc/01/39/68/580013968.db2.gz GLJMZCSTQWUZRO-MRXNPFEDSA-N 1 2 347.327 1.033 20 5 EDBDLO COC(=O)[C@]1(C)CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759754442 580013969 /nfs/dbraw/zinc/01/39/69/580013969.db2.gz GLJMZCSTQWUZRO-MRXNPFEDSA-N 1 2 347.327 1.033 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000759917679 580019258 /nfs/dbraw/zinc/01/92/58/580019258.db2.gz KQNCELDHAYEKEA-OAHLLOKOSA-N 1 2 347.350 1.380 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741143592 578649627 /nfs/dbraw/zinc/64/96/27/578649627.db2.gz KRMBCVUIXXYFRL-HSZRJFAPSA-N 1 2 339.417 1.040 20 5 EDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000760551837 580033581 /nfs/dbraw/zinc/03/35/81/580033581.db2.gz QSSKMBPUDFUDEB-ZDUSSCGKSA-N 1 2 344.375 1.438 20 5 EDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000760551837 580033582 /nfs/dbraw/zinc/03/35/82/580033582.db2.gz QSSKMBPUDFUDEB-ZDUSSCGKSA-N 1 2 344.375 1.438 20 5 EDBDLO Cc1ccnc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000750053372 579750333 /nfs/dbraw/zinc/75/03/33/579750333.db2.gz RHDMYRIWCPHSDL-OAHLLOKOSA-N 1 2 344.371 1.902 20 5 EDBDLO Cc1ccnc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000750053372 579750335 /nfs/dbraw/zinc/75/03/35/579750335.db2.gz RHDMYRIWCPHSDL-OAHLLOKOSA-N 1 2 344.371 1.902 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000756814300 579957519 /nfs/dbraw/zinc/95/75/19/579957519.db2.gz YAOATRKGPKAHTI-GFCCVEGCSA-N 1 2 334.380 1.852 20 5 EDBDLO C[S@@](=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000762120921 580067464 /nfs/dbraw/zinc/06/74/64/580067464.db2.gz OGISZPJEYWXHRX-HSZRJFAPSA-N 1 2 333.329 1.709 20 5 EDBDLO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000776585719 580422381 /nfs/dbraw/zinc/42/23/81/580422381.db2.gz ZLYYPQWFCBCSCC-WFASDCNBSA-N 1 2 344.433 1.773 20 5 EDBDLO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000776585719 580422382 /nfs/dbraw/zinc/42/23/82/580422382.db2.gz ZLYYPQWFCBCSCC-WFASDCNBSA-N 1 2 344.433 1.773 20 5 EDBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592374 580423135 /nfs/dbraw/zinc/42/31/35/580423135.db2.gz MVVSCBJSVAFYBJ-IRXDYDNUSA-N 1 2 341.367 1.713 20 5 EDBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592374 580423136 /nfs/dbraw/zinc/42/31/36/580423136.db2.gz MVVSCBJSVAFYBJ-IRXDYDNUSA-N 1 2 341.367 1.713 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000776594094 580423201 /nfs/dbraw/zinc/42/32/01/580423201.db2.gz ULBWAHZZNYYSCE-GOSISDBHSA-N 1 2 342.399 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000776594094 580423202 /nfs/dbraw/zinc/42/32/02/580423202.db2.gz ULBWAHZZNYYSCE-GOSISDBHSA-N 1 2 342.399 1.841 20 5 EDBDLO CC[S@](=O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780763807 580533355 /nfs/dbraw/zinc/53/33/55/580533355.db2.gz DBLCJVFTEKYFLG-FATZIPQQSA-N 1 2 336.417 1.776 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783575039 580601476 /nfs/dbraw/zinc/60/14/76/580601476.db2.gz VOXJGRBTNIHIEJ-NSHDSACASA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783575039 580601477 /nfs/dbraw/zinc/60/14/77/580601477.db2.gz VOXJGRBTNIHIEJ-NSHDSACASA-N 1 2 347.824 1.762 20 5 EDBDLO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000783910152 580608110 /nfs/dbraw/zinc/60/81/10/580608110.db2.gz CTAHEWUCXIKWRS-GFCCVEGCSA-N 1 2 327.406 1.004 20 5 EDBDLO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000783910152 580608111 /nfs/dbraw/zinc/60/81/11/580608111.db2.gz CTAHEWUCXIKWRS-GFCCVEGCSA-N 1 2 327.406 1.004 20 5 EDBDLO C/C(=C/C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785265563 580638684 /nfs/dbraw/zinc/63/86/84/580638684.db2.gz HXQXUFLBYCQZGN-YBEMTRGBSA-N 1 2 333.388 1.835 20 5 EDBDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794636395 580901043 /nfs/dbraw/zinc/90/10/43/580901043.db2.gz IVFLIOAPBKVCPG-NEPJUHHUSA-N 1 2 348.359 1.604 20 5 EDBDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794636395 580901044 /nfs/dbraw/zinc/90/10/44/580901044.db2.gz IVFLIOAPBKVCPG-NEPJUHHUSA-N 1 2 348.359 1.604 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000796255449 580949300 /nfs/dbraw/zinc/94/93/00/580949300.db2.gz RGMGADAJCUGWPD-JTQLQIEISA-N 1 2 326.353 1.319 20 5 EDBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801518368 581078811 /nfs/dbraw/zinc/07/88/11/581078811.db2.gz FYFBLIWXNFFZDC-UHFFFAOYSA-N 1 2 326.324 1.888 20 5 EDBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801518368 581078812 /nfs/dbraw/zinc/07/88/12/581078812.db2.gz FYFBLIWXNFFZDC-UHFFFAOYSA-N 1 2 326.324 1.888 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000801799423 581085075 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CCC1(O)CC[NH+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840012718 593351345 /nfs/dbraw/zinc/35/13/45/593351345.db2.gz SCAIOHFERYIQKH-INIZCTEOSA-N 1 2 349.387 1.726 20 5 EDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(OC)OC ZINC000839741098 593377899 /nfs/dbraw/zinc/37/78/99/593377899.db2.gz CJBYXVGHOFRXAI-GFCCVEGCSA-N 1 2 348.359 1.908 20 5 EDBDLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028835 593392955 /nfs/dbraw/zinc/39/29/55/593392955.db2.gz CGRVFDYJPQWUOV-MLGOLLRUSA-N 1 2 335.360 1.600 20 5 EDBDLO C[C@@H]1COCCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028835 593392957 /nfs/dbraw/zinc/39/29/57/593392957.db2.gz CGRVFDYJPQWUOV-MLGOLLRUSA-N 1 2 335.360 1.600 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccnc3-n3cc[nH+]c3)no2)n1 ZINC000761711156 593420717 /nfs/dbraw/zinc/42/07/17/593420717.db2.gz QWNKQTRLJFYEEU-UHFFFAOYSA-N 1 2 338.287 1.626 20 5 EDBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000817414901 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327.344 1.943 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748873 597553022 /nfs/dbraw/zinc/55/30/22/597553022.db2.gz LSIRZLZJTYYWKG-NEPJUHHUSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748873 597553023 /nfs/dbraw/zinc/55/30/23/597553023.db2.gz LSIRZLZJTYYWKG-NEPJUHHUSA-N 1 2 331.166 1.285 20 5 EDBDLO Cn1cc(C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])n1 ZINC000877825521 597560256 /nfs/dbraw/zinc/56/02/56/597560256.db2.gz UWNVWLGARCZMMP-AWEZNQCLSA-N 1 2 345.359 1.786 20 5 EDBDLO Cn1cc(C[N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])n1 ZINC000877825521 597560257 /nfs/dbraw/zinc/56/02/57/597560257.db2.gz UWNVWLGARCZMMP-AWEZNQCLSA-N 1 2 345.359 1.786 20 5 EDBDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001060480160 695448327 /nfs/dbraw/zinc/44/83/27/695448327.db2.gz YJUQNWXJVDILHA-FOLVSLTJSA-N 1 2 327.344 1.111 20 5 EDBDLO CC[NH+](CC)Cc1csc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1 ZINC000919852849 697347056 /nfs/dbraw/zinc/34/70/56/697347056.db2.gz VGQSSOZIUNZUHX-UHFFFAOYSA-N 1 2 339.381 1.123 20 5 EDBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175462761 697757424 /nfs/dbraw/zinc/75/74/24/697757424.db2.gz MJBIGRUEYXPVCR-CQSZACIVSA-N 1 2 335.360 1.951 20 5 EDBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175462761 697757427 /nfs/dbraw/zinc/75/74/27/697757427.db2.gz MJBIGRUEYXPVCR-CQSZACIVSA-N 1 2 335.360 1.951 20 5 EDBDLO O=C(NCc1ccc(C[NH2+]Cc2nncs2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816477 711198266 /nfs/dbraw/zinc/19/82/66/711198266.db2.gz PEFNHVKWZUOTPT-CHWSQXEVSA-N 1 2 347.400 1.109 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173984817 231090077 /nfs/dbraw/zinc/09/00/77/231090077.db2.gz SBGVVAMROVFOAH-CJNGLKHVSA-N 1 2 348.403 1.328 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000263941467 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MKAUEORQDLRQHW-GFCCVEGCSA-N 1 2 349.416 1.758 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1ccco1 ZINC000118866399 138313132 /nfs/dbraw/zinc/31/31/32/138313132.db2.gz IKNSULVQMKHJQS-GFCCVEGCSA-N 1 2 345.359 1.385 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1ccco1 ZINC000118866399 138313133 /nfs/dbraw/zinc/31/31/33/138313133.db2.gz IKNSULVQMKHJQS-GFCCVEGCSA-N 1 2 345.359 1.385 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@H]3CO)cs2)c1 ZINC000187667262 236272677 /nfs/dbraw/zinc/27/26/77/236272677.db2.gz SAQGYOJPRXNJAD-KBPBESRZSA-N 1 2 335.385 1.646 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)cs2)c1 ZINC000187667262 236272678 /nfs/dbraw/zinc/27/26/78/236272678.db2.gz SAQGYOJPRXNJAD-KBPBESRZSA-N 1 2 335.385 1.646 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286361803 291131262 /nfs/dbraw/zinc/13/12/62/291131262.db2.gz NDZOKERRKNYGNP-QWRGUYRKSA-N 1 2 337.405 1.603 20 5 EDBDLO CN(C(=O)C[N@H+](CCO)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000129842232 223097848 /nfs/dbraw/zinc/09/78/48/223097848.db2.gz JPLPVHJWDSFAHM-UHFFFAOYSA-N 1 2 344.371 1.447 20 5 EDBDLO CN(C(=O)C[N@@H+](CCO)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000129842232 223097851 /nfs/dbraw/zinc/09/78/51/223097851.db2.gz JPLPVHJWDSFAHM-UHFFFAOYSA-N 1 2 344.371 1.447 20 5 EDBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000371359125 284238001 /nfs/dbraw/zinc/23/80/01/284238001.db2.gz GZVLZEVEVLCZBD-VIFPVBQESA-N 1 2 344.327 1.376 20 5 EDBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000371359125 284238003 /nfs/dbraw/zinc/23/80/03/284238003.db2.gz GZVLZEVEVLCZBD-VIFPVBQESA-N 1 2 344.327 1.376 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000194762409 139000182 /nfs/dbraw/zinc/00/01/82/139000182.db2.gz VCUMGOZYJVOUSP-TXEJJXNPSA-N 1 2 336.392 1.358 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 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Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000154551768 224269905 /nfs/dbraw/zinc/26/99/05/224269905.db2.gz DKGNCRVSLXYDNJ-LBPRGKRZSA-N 1 2 341.371 1.889 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](CC)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000270948120 140205435 /nfs/dbraw/zinc/20/54/35/140205435.db2.gz SJRACYVXIFRHJR-IAQYHMDHSA-N 1 2 337.376 1.635 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](CC)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000270948120 140205437 /nfs/dbraw/zinc/20/54/37/140205437.db2.gz SJRACYVXIFRHJR-IAQYHMDHSA-N 1 2 337.376 1.635 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270985056 140213868 /nfs/dbraw/zinc/21/38/68/140213868.db2.gz CTRNEEUZXVSEJZ-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270985056 140213870 /nfs/dbraw/zinc/21/38/70/140213870.db2.gz CTRNEEUZXVSEJZ-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C3)c21 ZINC000347407691 296513185 /nfs/dbraw/zinc/51/31/85/296513185.db2.gz BGJQQKUSYZLRPT-LBPRGKRZSA-N 1 2 329.360 1.449 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000332259367 141148394 /nfs/dbraw/zinc/14/83/94/141148394.db2.gz VHDYAFSXYXQUGN-CABCVRRESA-N 1 2 334.376 1.758 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000332259367 141148395 /nfs/dbraw/zinc/14/83/95/141148395.db2.gz VHDYAFSXYXQUGN-CABCVRRESA-N 1 2 334.376 1.758 20 5 EDBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-])CCCC2 ZINC000344790232 143012262 /nfs/dbraw/zinc/01/22/62/143012262.db2.gz NLCRPDUPTYESQX-LBPRGKRZSA-N 1 2 344.375 1.908 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C(C)C ZINC000345564043 143106313 /nfs/dbraw/zinc/10/63/13/143106313.db2.gz DMGSBPGBRVKHQJ-GJZGRUSLSA-N 1 2 348.403 1.980 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C(C)C ZINC000345564043 143106314 /nfs/dbraw/zinc/10/63/14/143106314.db2.gz DMGSBPGBRVKHQJ-GJZGRUSLSA-N 1 2 348.403 1.980 20 5 EDBDLO O=C(C[N@@H+]1[C@@H](CO)CC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000347316647 143307475 /nfs/dbraw/zinc/30/74/75/143307475.db2.gz SJOSBSPZWKUJLL-PHIMTYICSA-N 1 2 343.767 1.004 20 5 EDBDLO O=C(C[N@H+]1[C@@H](CO)CC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000347316647 143307476 /nfs/dbraw/zinc/30/74/76/143307476.db2.gz SJOSBSPZWKUJLL-PHIMTYICSA-N 1 2 343.767 1.004 20 5 EDBDLO Cn1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000347861183 143371430 /nfs/dbraw/zinc/37/14/30/143371430.db2.gz LDFPOBQEQWSDAW-CYBMUJFWSA-N 1 2 336.392 1.260 20 5 EDBDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000348551780 143441375 /nfs/dbraw/zinc/44/13/75/143441375.db2.gz UXSSYNGECGMEKZ-MRXNPFEDSA-N 1 2 335.404 1.972 20 5 EDBDLO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000352865346 149195819 /nfs/dbraw/zinc/19/58/19/149195819.db2.gz YVVMKVUYZPENSK-GFCCVEGCSA-N 1 2 336.392 1.056 20 5 EDBDLO COc1ccc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000353134682 149299223 /nfs/dbraw/zinc/29/92/23/149299223.db2.gz HZHWTBDXHHAIED-RISCZKNCSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1ccc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000353134682 149299227 /nfs/dbraw/zinc/29/92/27/149299227.db2.gz HZHWTBDXHHAIED-RISCZKNCSA-N 1 2 326.374 1.222 20 5 EDBDLO Cn1cc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000353408647 149395066 /nfs/dbraw/zinc/39/50/66/149395066.db2.gz UKUBHOKOUYVEFZ-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354678788 149916860 /nfs/dbraw/zinc/91/68/60/149916860.db2.gz VEMMTMKUWDBSAW-ZDUSSCGKSA-N 1 2 334.376 1.184 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354678788 149916861 /nfs/dbraw/zinc/91/68/61/149916861.db2.gz VEMMTMKUWDBSAW-ZDUSSCGKSA-N 1 2 334.376 1.184 20 5 EDBDLO CN(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000356212973 150553949 /nfs/dbraw/zinc/55/39/49/150553949.db2.gz HQSVKUPKKRBLAA-UHFFFAOYSA-N 1 2 344.375 1.521 20 5 EDBDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000356212973 150553950 /nfs/dbraw/zinc/55/39/50/150553950.db2.gz HQSVKUPKKRBLAA-UHFFFAOYSA-N 1 2 344.375 1.521 20 5 EDBDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000357481623 151044406 /nfs/dbraw/zinc/04/44/06/151044406.db2.gz PQONLRFPATWBEE-YPMHNXCESA-N 1 2 334.355 1.748 20 5 EDBDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cn1 ZINC000360586485 152110378 /nfs/dbraw/zinc/11/03/78/152110378.db2.gz VHPLFMAQOUHGRX-CABCVRRESA-N 1 2 335.408 1.164 20 5 EDBDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cn1 ZINC000360586485 152110381 /nfs/dbraw/zinc/11/03/81/152110381.db2.gz VHPLFMAQOUHGRX-CABCVRRESA-N 1 2 335.408 1.164 20 5 EDBDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364863744 153355037 /nfs/dbraw/zinc/35/50/37/153355037.db2.gz SZVOHOXWRIJSQH-CYBMUJFWSA-N 1 2 333.396 1.975 20 5 EDBDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364863744 153355039 /nfs/dbraw/zinc/35/50/39/153355039.db2.gz SZVOHOXWRIJSQH-CYBMUJFWSA-N 1 2 333.396 1.975 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371354433 155903595 /nfs/dbraw/zinc/90/35/95/155903595.db2.gz MHLAWJCPGOYQSW-VIFPVBQESA-N 1 2 334.307 1.510 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371354433 155903599 /nfs/dbraw/zinc/90/35/99/155903599.db2.gz MHLAWJCPGOYQSW-VIFPVBQESA-N 1 2 334.307 1.510 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000373637295 156936598 /nfs/dbraw/zinc/93/65/98/156936598.db2.gz KMTANWHMRWZRJX-LBPRGKRZSA-N 1 2 340.401 1.337 20 5 EDBDLO Cc1c(NC(=O)C(=O)NCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000048598666 267390148 /nfs/dbraw/zinc/39/01/48/267390148.db2.gz GXGBJDNUCWWCBW-UHFFFAOYSA-N 1 2 331.332 1.245 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000276004548 268389773 /nfs/dbraw/zinc/38/97/73/268389773.db2.gz PUCKZIJVGXFUDX-NSHDSACASA-N 1 2 330.348 1.059 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000276004548 268389775 /nfs/dbraw/zinc/38/97/75/268389775.db2.gz PUCKZIJVGXFUDX-NSHDSACASA-N 1 2 330.348 1.059 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000275998930 273141582 /nfs/dbraw/zinc/14/15/82/273141582.db2.gz OVHWMEGRMNUIML-CYBMUJFWSA-N 1 2 345.363 1.244 20 5 EDBDLO Cc1ccc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000276497480 273166842 /nfs/dbraw/zinc/16/68/42/273166842.db2.gz BPDDMGLXZPZIBI-HNNXBMFYSA-N 1 2 343.387 1.766 20 5 EDBDLO CCOc1cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000276940926 273170763 /nfs/dbraw/zinc/17/07/63/273170763.db2.gz SGTNAFBFOLOIFR-UHFFFAOYSA-N 1 2 344.371 1.646 20 5 EDBDLO CCOc1cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000276940926 273170764 /nfs/dbraw/zinc/17/07/64/273170764.db2.gz SGTNAFBFOLOIFR-UHFFFAOYSA-N 1 2 344.371 1.646 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1O ZINC000277765370 273224987 /nfs/dbraw/zinc/22/49/87/273224987.db2.gz DHSBJTKTJOWLOR-GWCFXTLKSA-N 1 2 332.316 1.886 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1O ZINC000277765370 273224989 /nfs/dbraw/zinc/22/49/89/273224989.db2.gz DHSBJTKTJOWLOR-GWCFXTLKSA-N 1 2 332.316 1.886 20 5 EDBDLO Cn1ccnc1[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000279255089 273289426 /nfs/dbraw/zinc/28/94/26/273289426.db2.gz AJXXMUXRVWNABO-OAHLLOKOSA-N 1 2 345.403 1.696 20 5 EDBDLO Cn1ccnc1[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000279255089 273289427 /nfs/dbraw/zinc/28/94/27/273289427.db2.gz AJXXMUXRVWNABO-OAHLLOKOSA-N 1 2 345.403 1.696 20 5 EDBDLO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280718523 273389790 /nfs/dbraw/zinc/38/97/90/273389790.db2.gz HDQUPZHFQMFLQP-LBPRGKRZSA-N 1 2 349.387 1.531 20 5 EDBDLO CO[C@@H]1C[C@@H](CO)N(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000284648521 274278902 /nfs/dbraw/zinc/27/89/02/274278902.db2.gz WQROWDAAKMPUAB-LSDHHAIUSA-N 1 2 344.371 1.946 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286081825 287930757 /nfs/dbraw/zinc/93/07/57/287930757.db2.gz AHQSTBGKMASJNL-DZGCQCFKSA-N 1 2 333.388 1.838 20 5 EDBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112982287 279081743 /nfs/dbraw/zinc/08/17/43/279081743.db2.gz CDHMGKCIJQECSI-OAHLLOKOSA-N 1 2 348.403 1.866 20 5 EDBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112982287 279081745 /nfs/dbraw/zinc/08/17/45/279081745.db2.gz CDHMGKCIJQECSI-OAHLLOKOSA-N 1 2 348.403 1.866 20 5 EDBDLO CN(Cc1[nH+]ccn1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291351769 289043047 /nfs/dbraw/zinc/04/30/47/289043047.db2.gz ABSGNOXMNOJCRR-UHFFFAOYSA-N 1 2 329.360 1.857 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000192635534 295286209 /nfs/dbraw/zinc/28/62/09/295286209.db2.gz KTEKNCUJDPLMGP-GFCCVEGCSA-N 1 2 335.360 1.150 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000428065052 305006523 /nfs/dbraw/zinc/00/65/23/305006523.db2.gz SZVAJMXKZHZXAS-CYBMUJFWSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000428065052 305006524 /nfs/dbraw/zinc/00/65/24/305006524.db2.gz SZVAJMXKZHZXAS-CYBMUJFWSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000431601359 305080418 /nfs/dbraw/zinc/08/04/18/305080418.db2.gz SGYNXRSQSINVKG-UHFFFAOYSA-N 1 2 341.320 1.616 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000433070846 305099722 /nfs/dbraw/zinc/09/97/22/305099722.db2.gz WJDVDGCOMRSDIO-ZDUSSCGKSA-N 1 2 342.417 1.860 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000433070846 305099723 /nfs/dbraw/zinc/09/97/23/305099723.db2.gz WJDVDGCOMRSDIO-ZDUSSCGKSA-N 1 2 342.417 1.860 20 5 EDBDLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000446734110 305270041 /nfs/dbraw/zinc/27/00/41/305270041.db2.gz CDIAOLKQOMBLCG-LBTNJELSSA-N 1 2 349.431 1.423 20 5 EDBDLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000446734110 305270042 /nfs/dbraw/zinc/27/00/42/305270042.db2.gz CDIAOLKQOMBLCG-LBTNJELSSA-N 1 2 349.431 1.423 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000447657580 305283800 /nfs/dbraw/zinc/28/38/00/305283800.db2.gz UCRZDDLLERVNRQ-LBPRGKRZSA-N 1 2 346.387 1.869 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000447811587 305285996 /nfs/dbraw/zinc/28/59/96/305285996.db2.gz OBGJNVNZIRAODQ-RLFYNMQTSA-N 1 2 347.415 1.634 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCn1cncn1 ZINC000447814608 305286134 /nfs/dbraw/zinc/28/61/34/305286134.db2.gz ZRSLWGGBSHXORM-UHFFFAOYSA-N 1 2 332.364 1.131 20 5 EDBDLO CC[C@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447815015 305286206 /nfs/dbraw/zinc/28/62/06/305286206.db2.gz CVFVQEYVDXJVJD-KRWDZBQOSA-N 1 2 335.404 1.778 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451426616 305345551 /nfs/dbraw/zinc/34/55/51/305345551.db2.gz IISXACVYKZRTLL-AWEZNQCLSA-N 1 2 345.302 1.244 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451426616 305345552 /nfs/dbraw/zinc/34/55/52/305345552.db2.gz IISXACVYKZRTLL-AWEZNQCLSA-N 1 2 345.302 1.244 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@](O)(C(F)F)C3)n2)c1 ZINC000451440395 305346504 /nfs/dbraw/zinc/34/65/04/305346504.db2.gz POQRDQALFNKXTB-CQSZACIVSA-N 1 2 340.286 1.847 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@](O)(C(F)F)C3)n2)c1 ZINC000451440395 305346505 /nfs/dbraw/zinc/34/65/05/305346505.db2.gz POQRDQALFNKXTB-CQSZACIVSA-N 1 2 340.286 1.847 20 5 EDBDLO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452343375 305390190 /nfs/dbraw/zinc/39/01/90/305390190.db2.gz AXOGUYCKUWMBGK-GFCCVEGCSA-N 1 2 347.375 1.048 20 5 EDBDLO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452343375 305390191 /nfs/dbraw/zinc/39/01/91/305390191.db2.gz AXOGUYCKUWMBGK-GFCCVEGCSA-N 1 2 347.375 1.048 20 5 EDBDLO CNc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000533700223 306002513 /nfs/dbraw/zinc/00/25/13/306002513.db2.gz QRCREXKHMQKEOC-LBPRGKRZSA-N 1 2 329.360 2.000 20 5 EDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548059860 306118603 /nfs/dbraw/zinc/11/86/03/306118603.db2.gz LXBUKZOPDDVRLA-UHFFFAOYSA-N 1 2 341.331 1.157 20 5 EDBDLO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000548400684 306126894 /nfs/dbraw/zinc/12/68/94/306126894.db2.gz APSLXSOJDMTCAT-BXUZGUMPSA-N 1 2 326.349 1.122 20 5 EDBDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000548399706 306126932 /nfs/dbraw/zinc/12/69/32/306126932.db2.gz ZQGSCYRDVAHVSD-AWEZNQCLSA-N 1 2 326.349 1.769 20 5 EDBDLO COC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449918680 447411094 /nfs/dbraw/zinc/41/10/94/447411094.db2.gz JKJVXBFJSQRVLJ-LBPRGKRZSA-N 1 2 330.344 1.889 20 5 EDBDLO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000080915304 441207849 /nfs/dbraw/zinc/20/78/49/441207849.db2.gz VHLPHGNNEYDYID-AWEZNQCLSA-N 1 2 333.388 1.840 20 5 EDBDLO CC1CCN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000026482074 441379558 /nfs/dbraw/zinc/37/95/58/441379558.db2.gz MCGCEEWQTWMYIA-UHFFFAOYSA-N 1 2 347.419 1.370 20 5 EDBDLO C[N@H+](CC(=O)N1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171346 441352111 /nfs/dbraw/zinc/35/21/11/441352111.db2.gz SAIOYBRVTUOIGP-UHFFFAOYSA-N 1 2 334.332 1.027 20 5 EDBDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171346 441352116 /nfs/dbraw/zinc/35/21/16/441352116.db2.gz SAIOYBRVTUOIGP-UHFFFAOYSA-N 1 2 334.332 1.027 20 5 EDBDLO Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000106580370 441358825 /nfs/dbraw/zinc/35/88/25/441358825.db2.gz OSMJUDURPOXDPU-ZDUSSCGKSA-N 1 2 335.408 1.661 20 5 EDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCCn1cc[nH+]c1 ZINC000028634849 441434181 /nfs/dbraw/zinc/43/41/81/441434181.db2.gz NNALFPDZWDASGA-UHFFFAOYSA-N 1 2 345.359 1.118 20 5 EDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCn1cc[nH+]c1 ZINC000066041855 441500439 /nfs/dbraw/zinc/50/04/39/441500439.db2.gz WYEFSPOHUKSJIC-UHFFFAOYSA-N 1 2 327.344 1.953 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000088757827 441518731 /nfs/dbraw/zinc/51/87/31/441518731.db2.gz SRUFWUMUGHYQFI-ZDUSSCGKSA-N 1 2 333.392 1.123 20 5 EDBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031315374 441521188 /nfs/dbraw/zinc/52/11/88/441521188.db2.gz LDVONJDITJJGFI-UHFFFAOYSA-N 1 2 343.343 1.621 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066601469 441549983 /nfs/dbraw/zinc/54/99/83/441549983.db2.gz GEYSKLHTBBXTJK-UHFFFAOYSA-N 1 2 332.316 1.372 20 5 EDBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067155980 441612165 /nfs/dbraw/zinc/61/21/65/441612165.db2.gz PEWQWFCSEYRZQG-UHFFFAOYSA-N 1 2 346.343 1.773 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000113261600 441594319 /nfs/dbraw/zinc/59/43/19/441594319.db2.gz WKSKQWYTPOTQBY-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000113261600 441594326 /nfs/dbraw/zinc/59/43/26/441594326.db2.gz WKSKQWYTPOTQBY-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000067287757 441624561 /nfs/dbraw/zinc/62/45/61/441624561.db2.gz QAAMACPICLINEM-UHFFFAOYSA-N 1 2 325.328 1.971 20 5 EDBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000158333572 441725557 /nfs/dbraw/zinc/72/55/57/441725557.db2.gz FYPLZZWOTJFVRA-NSHDSACASA-N 1 2 349.416 1.909 20 5 EDBDLO CC(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000160795248 441921830 /nfs/dbraw/zinc/92/18/30/441921830.db2.gz BFHLIFQPDMSYMM-OAHLLOKOSA-N 1 2 339.367 1.821 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144327038 441882675 /nfs/dbraw/zinc/88/26/75/441882675.db2.gz ZGQGAYZEBFEHMP-UHFFFAOYSA-N 1 2 344.306 1.433 20 5 EDBDLO Cc1ccc(NCCCNC(=O)NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160824468 441925706 /nfs/dbraw/zinc/92/57/06/441925706.db2.gz FGHPYAMBZXFVTM-UHFFFAOYSA-N 1 2 346.391 1.901 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000124540923 441935095 /nfs/dbraw/zinc/93/50/95/441935095.db2.gz PXXMGQRSRXIGNM-UHFFFAOYSA-N 1 2 340.343 1.718 20 5 EDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000161571244 442012923 /nfs/dbraw/zinc/01/29/23/442012923.db2.gz JRRNRCLWPPNORN-UHFFFAOYSA-N 1 2 333.352 1.035 20 5 EDBDLO COC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000151521175 442077784 /nfs/dbraw/zinc/07/77/84/442077784.db2.gz IPJPGDBVCDHRPH-CYBMUJFWSA-N 1 2 330.344 1.935 20 5 EDBDLO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188765040 442808263 /nfs/dbraw/zinc/80/82/63/442808263.db2.gz JYAHSODXYMTKEJ-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188765040 442808268 /nfs/dbraw/zinc/80/82/68/442808268.db2.gz JYAHSODXYMTKEJ-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]2N1 ZINC000246690079 442803644 /nfs/dbraw/zinc/80/36/44/442803644.db2.gz RHEWBBPNSMUCBU-NUEKZKHPSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]2N1 ZINC000246690079 442803649 /nfs/dbraw/zinc/80/36/49/442803649.db2.gz RHEWBBPNSMUCBU-NUEKZKHPSA-N 1 2 349.387 1.078 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265649122 442863067 /nfs/dbraw/zinc/86/30/67/442863067.db2.gz NJALZXIQLHCHOB-SMDDNHRTSA-N 1 2 334.376 1.393 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265649122 442863074 /nfs/dbraw/zinc/86/30/74/442863074.db2.gz NJALZXIQLHCHOB-SMDDNHRTSA-N 1 2 334.376 1.393 20 5 EDBDLO CC(C)[C@H](CCO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268207185 442900180 /nfs/dbraw/zinc/90/01/80/442900180.db2.gz SMKLDQHBZYNLPS-ZDUSSCGKSA-N 1 2 332.360 1.917 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000194532326 442911701 /nfs/dbraw/zinc/91/17/01/442911701.db2.gz NBUDCQMESRLOJZ-UHFFFAOYSA-N 1 2 339.417 1.721 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249537497 442983453 /nfs/dbraw/zinc/98/34/53/442983453.db2.gz CXDRHTRANFJHOU-SMDDNHRTSA-N 1 2 334.376 1.143 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249537497 442983455 /nfs/dbraw/zinc/98/34/55/442983455.db2.gz CXDRHTRANFJHOU-SMDDNHRTSA-N 1 2 334.376 1.143 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000184454659 443023121 /nfs/dbraw/zinc/02/31/21/443023121.db2.gz HHURTZZQVPMDOR-CYBMUJFWSA-N 1 2 334.376 1.114 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000198224240 443037543 /nfs/dbraw/zinc/03/75/43/443037543.db2.gz VIIZSTSFABEGAF-UHFFFAOYSA-N 1 2 345.783 1.782 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413041569 319258536 /nfs/dbraw/zinc/25/85/36/319258536.db2.gz HKVWSLJFMWPPPI-UHFFFAOYSA-N 1 2 343.387 1.401 20 5 EDBDLO COC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000272896603 443482632 /nfs/dbraw/zinc/48/26/32/443482632.db2.gz PEYICDWNLRYXNT-HUUCEWRRSA-N 1 2 334.376 1.669 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000264892556 443469304 /nfs/dbraw/zinc/46/93/04/443469304.db2.gz XJYSFEKRUSHGTE-UHFFFAOYSA-N 1 2 345.446 1.230 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C ZINC000276152087 443656168 /nfs/dbraw/zinc/65/61/68/443656168.db2.gz CAOYVZDAAXXUFV-CQSZACIVSA-N 1 2 344.375 1.039 20 5 EDBDLO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277293561 443953637 /nfs/dbraw/zinc/95/36/37/443953637.db2.gz SZUSUGQLDHMGRH-PSVOKBTDSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000277293561 443953639 /nfs/dbraw/zinc/95/36/39/443953639.db2.gz SZUSUGQLDHMGRH-PSVOKBTDSA-N 1 2 342.417 1.177 20 5 EDBDLO COc1cc2cc[nH+]cc2cc1OC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000554248375 320950323 /nfs/dbraw/zinc/95/03/23/320950323.db2.gz ZFTFPNUGNKGUFA-AWEZNQCLSA-N 1 2 344.327 1.788 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c([N+](=O)[O-])cc1F ZINC000285783239 444106530 /nfs/dbraw/zinc/10/65/30/444106530.db2.gz NCNDUOFGJVRWAO-NEPJUHHUSA-N 1 2 338.339 1.340 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c([N+](=O)[O-])cc1F ZINC000285783239 444106531 /nfs/dbraw/zinc/10/65/31/444106531.db2.gz NCNDUOFGJVRWAO-NEPJUHHUSA-N 1 2 338.339 1.340 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316027717 444308138 /nfs/dbraw/zinc/30/81/38/444308138.db2.gz CDNFOPBOJMSXQL-SKDRFNHKSA-N 1 2 331.166 1.142 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316027717 444308141 /nfs/dbraw/zinc/30/81/41/444308141.db2.gz CDNFOPBOJMSXQL-SKDRFNHKSA-N 1 2 331.166 1.142 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000342496684 444716115 /nfs/dbraw/zinc/71/61/15/444716115.db2.gz WFNHPTNXRMQWDN-DTWKUNHWSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000342496684 444716120 /nfs/dbraw/zinc/71/61/20/444716120.db2.gz WFNHPTNXRMQWDN-DTWKUNHWSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1cc(N(C)CCOCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000336882861 444830493 /nfs/dbraw/zinc/83/04/93/444830493.db2.gz CEGOSGFWZMPULW-UHFFFAOYSA-N 1 2 332.360 1.805 20 5 EDBDLO Cc1cc(N2C[C@H](C)[C@@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000344334000 444903065 /nfs/dbraw/zinc/90/30/65/444903065.db2.gz FHAQZPWQTQWLAD-HZMBPMFUSA-N 1 2 341.371 1.918 20 5 EDBDLO COc1cc(OCC(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000341578180 444903897 /nfs/dbraw/zinc/90/38/97/444903897.db2.gz XDLHRKBSCKUDMJ-NSHDSACASA-N 1 2 334.332 1.384 20 5 EDBDLO CCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330546176 445028682 /nfs/dbraw/zinc/02/86/82/445028682.db2.gz VDHCVLWUWIEVPH-UHFFFAOYSA-N 1 2 327.406 1.701 20 5 EDBDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccncc2[N+](=O)[O-])on1 ZINC000343016414 445007777 /nfs/dbraw/zinc/00/77/77/445007777.db2.gz SCRZAHNLFGGCLK-RYUDHWBXSA-N 1 2 335.339 1.733 20 5 EDBDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccncc2[N+](=O)[O-])on1 ZINC000343016414 445007781 /nfs/dbraw/zinc/00/77/81/445007781.db2.gz SCRZAHNLFGGCLK-RYUDHWBXSA-N 1 2 335.339 1.733 20 5 EDBDLO C[C@@H](N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000337487860 445102238 /nfs/dbraw/zinc/10/22/38/445102238.db2.gz UFWJCDTZFIWOST-RISCZKNCSA-N 1 2 349.366 1.482 20 5 EDBDLO CNc1c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000343291289 445184427 /nfs/dbraw/zinc/18/44/27/445184427.db2.gz BYTDEVIWRKLWSI-UONOGXRCSA-N 1 2 334.376 1.182 20 5 EDBDLO CNc1c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000343291289 445184430 /nfs/dbraw/zinc/18/44/30/445184430.db2.gz BYTDEVIWRKLWSI-UONOGXRCSA-N 1 2 334.376 1.182 20 5 EDBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000348357478 445265742 /nfs/dbraw/zinc/26/57/42/445265742.db2.gz OZEFGPWFXNNZOZ-VIFPVBQESA-N 1 2 348.315 1.909 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000351984622 445418056 /nfs/dbraw/zinc/41/80/56/445418056.db2.gz YNGNJJBJNBJVCG-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000351984622 445418059 /nfs/dbraw/zinc/41/80/59/445418059.db2.gz YNGNJJBJNBJVCG-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000351984622 445418062 /nfs/dbraw/zinc/41/80/62/445418062.db2.gz YNGNJJBJNBJVCG-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]21 ZINC000351984622 445418063 /nfs/dbraw/zinc/41/80/63/445418063.db2.gz YNGNJJBJNBJVCG-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO Cn1ncc2c1nc[nH+]c2N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357774659 445581885 /nfs/dbraw/zinc/58/18/85/445581885.db2.gz LQDUZJOCPPXQAT-UHFFFAOYSA-N 1 2 326.316 1.671 20 5 EDBDLO CN(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000360244256 445653072 /nfs/dbraw/zinc/65/30/72/445653072.db2.gz ZZWWMJNXMIQMGT-UHFFFAOYSA-N 1 2 340.336 1.996 20 5 EDBDLO Cc1cc(N2CCC(N(C)C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000361600801 445842587 /nfs/dbraw/zinc/84/25/87/445842587.db2.gz YQSDUSOAVKQVDS-UONOGXRCSA-N 1 2 333.392 1.186 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000365100028 446023740 /nfs/dbraw/zinc/02/37/40/446023740.db2.gz GNYXWYHKPZWCTP-GFCCVEGCSA-N 1 2 330.344 1.610 20 5 EDBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369273290 446038211 /nfs/dbraw/zinc/03/82/11/446038211.db2.gz ZKSYFXBFJWOWDN-MNOVXSKESA-N 1 2 345.446 1.904 20 5 EDBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369273290 446038218 /nfs/dbraw/zinc/03/82/18/446038218.db2.gz ZKSYFXBFJWOWDN-MNOVXSKESA-N 1 2 345.446 1.904 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H](C)O1 ZINC000583333691 326053392 /nfs/dbraw/zinc/05/33/92/326053392.db2.gz YZMVGZLXBLHAOY-PHIMTYICSA-N 1 2 333.344 1.300 20 5 EDBDLO C[C@@H]1C[N@H+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H](C)O1 ZINC000583333691 326053394 /nfs/dbraw/zinc/05/33/94/326053394.db2.gz YZMVGZLXBLHAOY-PHIMTYICSA-N 1 2 333.344 1.300 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000365191866 446073430 /nfs/dbraw/zinc/07/34/30/446073430.db2.gz NSFCLZDSFBUSIS-NSHDSACASA-N 1 2 330.344 1.853 20 5 EDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000351620729 446214762 /nfs/dbraw/zinc/21/47/62/446214762.db2.gz OQYODGRUODPPTA-UHFFFAOYSA-N 1 2 348.338 1.807 20 5 EDBDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000370322064 446229593 /nfs/dbraw/zinc/22/95/93/446229593.db2.gz CJCMMNSWBBHFNS-NSHDSACASA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000370322064 446229597 /nfs/dbraw/zinc/22/95/97/446229597.db2.gz CJCMMNSWBBHFNS-NSHDSACASA-N 1 2 333.797 1.501 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365518670 446238361 /nfs/dbraw/zinc/23/83/61/446238361.db2.gz BTDIRDHLLINITM-LBPRGKRZSA-N 1 2 332.364 1.239 20 5 EDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373567778 446263879 /nfs/dbraw/zinc/26/38/79/446263879.db2.gz NUXLJPHLUYGOPO-UHFFFAOYSA-N 1 2 331.332 1.201 20 5 EDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370735669 446409489 /nfs/dbraw/zinc/40/94/89/446409489.db2.gz XHXLZMRNCNQWCB-UHFFFAOYSA-N 1 2 333.352 1.104 20 5 EDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370735669 446409490 /nfs/dbraw/zinc/40/94/90/446409490.db2.gz XHXLZMRNCNQWCB-UHFFFAOYSA-N 1 2 333.352 1.104 20 5 EDBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csnn1 ZINC000412041592 446802543 /nfs/dbraw/zinc/80/25/43/446802543.db2.gz NHWILHNPNQVURG-BXKDBHETSA-N 1 2 333.373 1.902 20 5 EDBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCCNC1=O ZINC000371511482 446904066 /nfs/dbraw/zinc/90/40/66/446904066.db2.gz KGVJZHAQBNPALJ-CYBMUJFWSA-N 1 2 345.359 1.745 20 5 EDBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCCNC1=O ZINC000371511482 446904071 /nfs/dbraw/zinc/90/40/71/446904071.db2.gz KGVJZHAQBNPALJ-CYBMUJFWSA-N 1 2 345.359 1.745 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c1C ZINC000368576423 446952784 /nfs/dbraw/zinc/95/27/84/446952784.db2.gz QXFYNUXTPSLRMX-NSHDSACASA-N 1 2 349.359 1.439 20 5 EDBDLO CC(C)NS(=O)(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413099877 447000345 /nfs/dbraw/zinc/00/03/45/447000345.db2.gz ZEYNXNPQKJTSHJ-UHFFFAOYSA-N 1 2 338.389 1.883 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000375853177 447101184 /nfs/dbraw/zinc/10/11/84/447101184.db2.gz PIEXRRZEMLXSLO-LLVKDONJSA-N 1 2 337.401 1.564 20 5 EDBDLO CCOCCOC[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413259108 447099343 /nfs/dbraw/zinc/09/93/43/447099343.db2.gz HSCZKQSYQNQJAA-CQSZACIVSA-N 1 2 335.360 1.969 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000425417794 447153539 /nfs/dbraw/zinc/15/35/39/447153539.db2.gz IIGAAFWPMHEHNJ-GHMZBOCLSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000425417794 447153545 /nfs/dbraw/zinc/15/35/45/447153545.db2.gz IIGAAFWPMHEHNJ-GHMZBOCLSA-N 1 2 331.166 1.285 20 5 EDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444716586 447127191 /nfs/dbraw/zinc/12/71/91/447127191.db2.gz PROHSAYPLAKQIA-ISOBSLSZSA-N 1 2 329.360 1.557 20 5 EDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444716586 447127200 /nfs/dbraw/zinc/12/72/00/447127200.db2.gz PROHSAYPLAKQIA-ISOBSLSZSA-N 1 2 329.360 1.557 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000377500163 447167856 /nfs/dbraw/zinc/16/78/56/447167856.db2.gz SVDITDDJQMAFKK-LBPRGKRZSA-N 1 2 330.344 1.610 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056314 447239917 /nfs/dbraw/zinc/23/99/17/447239917.db2.gz KZQQCNDHRKYMFT-DGCLKSJQSA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056314 447239920 /nfs/dbraw/zinc/23/99/20/447239920.db2.gz KZQQCNDHRKYMFT-DGCLKSJQSA-N 1 2 335.360 1.284 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413955394 447268245 /nfs/dbraw/zinc/26/82/45/447268245.db2.gz KKUSPXVKSSVQAZ-JKSUJKDBSA-N 1 2 347.415 1.925 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369036168 447280596 /nfs/dbraw/zinc/28/05/96/447280596.db2.gz QAPYBLCARGPLPC-ZBEGNZNMSA-N 1 2 348.359 1.496 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369036168 447280598 /nfs/dbraw/zinc/28/05/98/447280598.db2.gz QAPYBLCARGPLPC-ZBEGNZNMSA-N 1 2 348.359 1.496 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)c(F)c1 ZINC000472336749 447818924 /nfs/dbraw/zinc/81/89/24/447818924.db2.gz HZHKKOAQIZDZNS-UHFFFAOYSA-N 1 2 340.336 1.519 20 5 EDBDLO CNc1nccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000576528757 448078296 /nfs/dbraw/zinc/07/82/96/448078296.db2.gz LDXOCTSHESROMV-NSHDSACASA-N 1 2 344.375 1.844 20 5 EDBDLO CS(=O)(=O)NC1CC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591158570 448275615 /nfs/dbraw/zinc/27/56/15/448275615.db2.gz FVMAOCYSJPKWBX-UHFFFAOYSA-N 1 2 336.373 1.635 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)[nH+]cc1C ZINC000533467989 448406580 /nfs/dbraw/zinc/40/65/80/448406580.db2.gz CTYVGHSVCHBARE-UHFFFAOYSA-N 1 2 337.357 1.838 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000516471209 448425350 /nfs/dbraw/zinc/42/53/50/448425350.db2.gz JVWDOXPMEHRQKP-UHFFFAOYSA-N 1 2 345.359 1.635 20 5 EDBDLO CNc1nccc(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000578906877 448668451 /nfs/dbraw/zinc/66/84/51/448668451.db2.gz SQZQOKBBIHQLIU-UHFFFAOYSA-N 1 2 330.348 1.659 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCN4CC(F)(F)C[C@H]4C3)nc2c1 ZINC000592131434 448700809 /nfs/dbraw/zinc/70/08/09/448700809.db2.gz XPCRTEVVWVJHSL-NSHDSACASA-N 1 2 337.330 1.996 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCN4CC(F)(F)C[C@H]4C3)nc2c1 ZINC000592131434 448700810 /nfs/dbraw/zinc/70/08/10/448700810.db2.gz XPCRTEVVWVJHSL-NSHDSACASA-N 1 2 337.330 1.996 20 5 EDBDLO CC(C)Oc1nc(N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000579258408 448756341 /nfs/dbraw/zinc/75/63/41/448756341.db2.gz MDKAVYBWIKAIJF-ZDUSSCGKSA-N 1 2 338.408 1.934 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000586824160 448819380 /nfs/dbraw/zinc/81/93/80/448819380.db2.gz BDGWUHFSCUDXKB-LBPRGKRZSA-N 1 2 335.751 1.758 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611083929 449163459 /nfs/dbraw/zinc/16/34/59/449163459.db2.gz PKMLXNVBVJFERP-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611083929 449163462 /nfs/dbraw/zinc/16/34/62/449163462.db2.gz PKMLXNVBVJFERP-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595742187 449142117 /nfs/dbraw/zinc/14/21/17/449142117.db2.gz PBSQVYVAVAHCHY-OLZOCXBDSA-N 1 2 346.387 1.442 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595742187 449142121 /nfs/dbraw/zinc/14/21/21/449142121.db2.gz PBSQVYVAVAHCHY-OLZOCXBDSA-N 1 2 346.387 1.442 20 5 EDBDLO Nc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000590570811 449195936 /nfs/dbraw/zinc/19/59/36/449195936.db2.gz CCNYQKVALMIDMD-OAHLLOKOSA-N 1 2 343.387 2.057 20 5 EDBDLO Nc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)nc1[N+](=O)[O-] ZINC000590573201 449197191 /nfs/dbraw/zinc/19/71/91/449197191.db2.gz UVOASXFXYIPTRY-UHFFFAOYSA-N 1 2 328.376 2.569 20 5 EDBDLO COCC1([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000611178749 449204528 /nfs/dbraw/zinc/20/45/28/449204528.db2.gz LKNAJEBGZWPMPU-UHFFFAOYSA-N 1 2 337.332 1.373 20 5 EDBDLO COCC1([N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000611178749 449204532 /nfs/dbraw/zinc/20/45/32/449204532.db2.gz LKNAJEBGZWPMPU-UHFFFAOYSA-N 1 2 337.332 1.373 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597998039 449183109 /nfs/dbraw/zinc/18/31/09/449183109.db2.gz OKYCDIFHUZALJW-QWHCGFSZSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597998039 449183110 /nfs/dbraw/zinc/18/31/10/449183110.db2.gz OKYCDIFHUZALJW-QWHCGFSZSA-N 1 2 337.376 1.199 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000598000447 449187155 /nfs/dbraw/zinc/18/71/55/449187155.db2.gz UZMMFNGXQZAZPV-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000598000447 449187158 /nfs/dbraw/zinc/18/71/58/449187158.db2.gz UZMMFNGXQZAZPV-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856159 449240708 /nfs/dbraw/zinc/24/07/08/449240708.db2.gz WAHAPNKECBYGNU-CYBMUJFWSA-N 1 2 347.396 1.701 20 5 EDBDLO 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ZINC000601739275 450204151 /nfs/dbraw/zinc/20/41/51/450204151.db2.gz QHKOKOWPXPOTRV-AWEZNQCLSA-N 1 2 348.403 1.572 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000601739275 450204159 /nfs/dbraw/zinc/20/41/59/450204159.db2.gz QHKOKOWPXPOTRV-AWEZNQCLSA-N 1 2 348.403 1.572 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603301107 450227053 /nfs/dbraw/zinc/22/70/53/450227053.db2.gz ADGNIQSVQPUTHB-UHFFFAOYSA-N 1 2 342.355 1.445 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000595492888 450181724 /nfs/dbraw/zinc/18/17/24/450181724.db2.gz YNBVMXWYENMIIM-LLVKDONJSA-N 1 2 345.359 1.643 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601732910 450196954 /nfs/dbraw/zinc/19/69/54/450196954.db2.gz DGHNSDFHONWVKP-SNVBAGLBSA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601732910 450196962 /nfs/dbraw/zinc/19/69/62/450196962.db2.gz DGHNSDFHONWVKP-SNVBAGLBSA-N 1 2 327.768 1.651 20 5 EDBDLO O=C(N[C@H]1CCNC(=O)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597785881 450253570 /nfs/dbraw/zinc/25/35/70/450253570.db2.gz HIIPIHHJGHDDNY-GFCCVEGCSA-N 1 2 343.343 1.179 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000610570148 450264319 /nfs/dbraw/zinc/26/43/19/450264319.db2.gz YLRXZYLAHKOWKI-NSHDSACASA-N 1 2 325.390 1.593 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619777815 450332117 /nfs/dbraw/zinc/33/21/17/450332117.db2.gz AYVWHOUWIADSJB-LBPRGKRZSA-N 1 2 349.778 1.768 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000619494914 450490948 /nfs/dbraw/zinc/49/09/48/450490948.db2.gz VKPFULNGOCLFKM-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000619494914 450490953 /nfs/dbraw/zinc/49/09/53/450490953.db2.gz VKPFULNGOCLFKM-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO 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Cn1nncc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877534292 597532427 /nfs/dbraw/zinc/53/24/27/597532427.db2.gz DXFLOOFZLJDHRB-UHFFFAOYSA-N 1 2 332.183 1.837 20 5 EDBDLO COc1ccccc1[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000879633566 597667056 /nfs/dbraw/zinc/66/70/56/597667056.db2.gz OZIZHVFQVYFOCP-OAHLLOKOSA-N 1 2 332.360 1.873 20 5 EDBDLO COc1ccccc1[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000879633566 597667059 /nfs/dbraw/zinc/66/70/59/597667059.db2.gz OZIZHVFQVYFOCP-OAHLLOKOSA-N 1 2 332.360 1.873 20 5 EDBDLO Cc1cc(F)cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000131149201 597675489 /nfs/dbraw/zinc/67/54/89/597675489.db2.gz HJGBHFZCYMXTCH-NEPJUHHUSA-N 1 2 339.367 1.881 20 5 EDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000882766636 598049261 /nfs/dbraw/zinc/04/92/61/598049261.db2.gz NBMUNXLOBIDGHD-LBPRGKRZSA-N 1 2 327.406 1.584 20 5 EDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000882766636 598049264 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O=C(Cn1cccn1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002337870 708819236 /nfs/dbraw/zinc/81/92/36/708819236.db2.gz CVYPROBUTOMHQE-UHFFFAOYSA-N 1 2 349.416 1.634 20 5 EDBDLO O=C(NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002784261 709386977 /nfs/dbraw/zinc/38/69/77/709386977.db2.gz ADSRVBSMRHYPHJ-TZMCWYRMSA-N 1 2 348.403 1.299 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)S1 ZINC000173075006 230874290 /nfs/dbraw/zinc/87/42/90/230874290.db2.gz INRKPPAEXHPMOY-SECBINFHSA-N 1 2 340.430 1.905 20 5 EDBDLO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000171804178 529467502 /nfs/dbraw/zinc/46/75/02/529467502.db2.gz POJFMJIUOFAXMY-UHFFFAOYSA-N 1 2 349.416 1.730 20 5 EDBDLO CCc1n[nH]c(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000171804178 529467504 /nfs/dbraw/zinc/46/75/04/529467504.db2.gz POJFMJIUOFAXMY-UHFFFAOYSA-N 1 2 349.416 1.730 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(N)=O)CC1 ZINC000174913031 231342883 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EDBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111284288 138308281 /nfs/dbraw/zinc/30/82/81/138308281.db2.gz VFCAEKWLZNHNBX-UHFFFAOYSA-N 1 2 347.375 1.761 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000111284288 138308282 /nfs/dbraw/zinc/30/82/82/138308282.db2.gz VFCAEKWLZNHNBX-UHFFFAOYSA-N 1 2 347.375 1.761 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000131167838 138353474 /nfs/dbraw/zinc/35/34/74/138353474.db2.gz OKOSLJRBNHFTPC-UHFFFAOYSA-N 1 2 334.376 1.070 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000131167838 138353475 /nfs/dbraw/zinc/35/34/75/138353475.db2.gz OKOSLJRBNHFTPC-UHFFFAOYSA-N 1 2 334.376 1.070 20 5 EDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368948023 283336992 /nfs/dbraw/zinc/33/69/92/283336992.db2.gz AJNIRKYOKCLYTP-KMUNFCNLSA-N 1 2 347.371 1.547 20 5 EDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368948023 283336993 /nfs/dbraw/zinc/33/69/93/283336993.db2.gz AJNIRKYOKCLYTP-KMUNFCNLSA-N 1 2 347.371 1.547 20 5 EDBDLO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000564982216 306372018 /nfs/dbraw/zinc/37/20/18/306372018.db2.gz XQMDRVZMBIPSNS-HUUCEWRRSA-N 1 2 347.371 1.726 20 5 EDBDLO CC(C)O[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000564982216 306372019 /nfs/dbraw/zinc/37/20/19/306372019.db2.gz XQMDRVZMBIPSNS-HUUCEWRRSA-N 1 2 347.371 1.726 20 5 EDBDLO C[C@@H]1C[NH+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H](C)O1 ZINC000567368046 306449355 /nfs/dbraw/zinc/44/93/55/306449355.db2.gz KGNAMOFUHYTALA-GHMZBOCLSA-N 1 2 333.344 1.300 20 5 EDBDLO Nc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000080909931 217340056 /nfs/dbraw/zinc/34/00/56/217340056.db2.gz NJGCNRDGQJHTOK-CYBMUJFWSA-N 1 2 334.376 1.114 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249577164 139195872 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FHBUYXZMXIVYPD-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000174529516 533282715 /nfs/dbraw/zinc/28/27/15/533282715.db2.gz LNUDXDBFDYAMTN-SECBINFHSA-N 1 2 327.304 1.390 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000331448898 141031034 /nfs/dbraw/zinc/03/10/34/141031034.db2.gz CKCAJIUKZIAMGX-IIYDPXPESA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000331448898 141031036 /nfs/dbraw/zinc/03/10/36/141031036.db2.gz CKCAJIUKZIAMGX-IIYDPXPESA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@H]1[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1(C)C ZINC000332264507 141149280 /nfs/dbraw/zinc/14/92/80/141149280.db2.gz OKMBEABCYXHAPG-GFCCVEGCSA-N 1 2 333.388 1.983 20 5 EDBDLO C[C@H]1[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1(C)C ZINC000332264507 141149281 /nfs/dbraw/zinc/14/92/81/141149281.db2.gz OKMBEABCYXHAPG-GFCCVEGCSA-N 1 2 333.388 1.983 20 5 EDBDLO Cc1cc(NC[C@H](O)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000346435979 143204489 /nfs/dbraw/zinc/20/44/89/143204489.db2.gz WMHUYSYXIQGSOB-HIFRSBDPSA-N 1 2 344.371 1.591 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](F)C[C@H]1CO ZINC000347436626 143320653 /nfs/dbraw/zinc/32/06/53/143320653.db2.gz KSEDSIRORAJTKZ-RYUDHWBXSA-N 1 2 334.307 1.325 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000348070195 143397415 /nfs/dbraw/zinc/39/74/15/143397415.db2.gz CWIJFJCUGQDQSO-VIFPVBQESA-N 1 2 349.347 1.974 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000353404922 149394142 /nfs/dbraw/zinc/39/41/42/149394142.db2.gz NKKFVBUHOOTWAL-LSDHHAIUSA-N 1 2 332.360 1.423 20 5 EDBDLO CN(C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])nc1 ZINC000357681520 151113934 /nfs/dbraw/zinc/11/39/34/151113934.db2.gz OVWJVGNGRMUIBL-GXTWGEPZSA-N 1 2 348.382 1.772 20 5 EDBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCn2cc[nH+]c2C1 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YSMQTZUTFFRAHF-LBPRGKRZSA-N 1 2 347.371 1.951 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000378490661 158191221 /nfs/dbraw/zinc/19/12/21/158191221.db2.gz QYPSUMSZZBQHHO-HIFRSBDPSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000378490661 158191224 /nfs/dbraw/zinc/19/12/24/158191224.db2.gz QYPSUMSZZBQHHO-HIFRSBDPSA-N 1 2 338.360 1.626 20 5 EDBDLO Cc1cc[nH+]c(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000354052202 162265251 /nfs/dbraw/zinc/26/52/51/162265251.db2.gz CZTLXPWECYPLGY-UHFFFAOYSA-N 1 2 342.355 1.966 20 5 EDBDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000074286279 287269373 /nfs/dbraw/zinc/26/93/73/287269373.db2.gz GWEISRIJRFWJDJ-UHFFFAOYSA-N 1 2 333.348 1.601 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352484668 292586251 /nfs/dbraw/zinc/58/62/51/292586251.db2.gz RZZYZXPFGVHQJW-CQSZACIVSA-N 1 2 346.391 1.957 20 5 EDBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275071745 268275140 /nfs/dbraw/zinc/27/51/40/268275140.db2.gz AJLQGNUCMOTEOI-MLGOLLRUSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@@]1(C)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275071745 268275141 /nfs/dbraw/zinc/27/51/41/268275141.db2.gz AJLQGNUCMOTEOI-MLGOLLRUSA-N 1 2 338.360 1.362 20 5 EDBDLO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284148124 274096649 /nfs/dbraw/zinc/09/66/49/274096649.db2.gz QEJZIXULLQYUMG-HIFRSBDPSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284148124 274096652 /nfs/dbraw/zinc/09/66/52/274096652.db2.gz QEJZIXULLQYUMG-HIFRSBDPSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284484214 274219011 /nfs/dbraw/zinc/21/90/11/274219011.db2.gz AQXMKXAKYVTDSF-AWEZNQCLSA-N 1 2 347.375 1.784 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284484214 274219013 /nfs/dbraw/zinc/21/90/13/274219013.db2.gz AQXMKXAKYVTDSF-AWEZNQCLSA-N 1 2 347.375 1.784 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000284821095 274346003 /nfs/dbraw/zinc/34/60/03/274346003.db2.gz UVZWAGATGXFCLU-KGLIPLIRSA-N 1 2 334.376 1.031 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000284821095 274346004 /nfs/dbraw/zinc/34/60/04/274346004.db2.gz UVZWAGATGXFCLU-KGLIPLIRSA-N 1 2 334.376 1.031 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269443346 275722919 /nfs/dbraw/zinc/72/29/19/275722919.db2.gz PUBFPNCYFHVKBU-GHMZBOCLSA-N 1 2 339.396 1.280 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286435024 288005403 /nfs/dbraw/zinc/00/54/03/288005403.db2.gz SDRJEOFCEOAVTK-AAEUAGOBSA-N 1 2 336.348 1.802 20 5 EDBDLO CCOC(=O)c1ccnc(N2CCc3c([nH+]cn3C)C2)c1[N+](=O)[O-] ZINC000369562023 279638453 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1.304 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[NH+](CCO)CC1 ZINC000294139715 303068253 /nfs/dbraw/zinc/06/82/53/303068253.db2.gz QJTBYZLFRDJEHW-UHFFFAOYSA-N 1 2 347.293 1.364 20 5 EDBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000295027609 303164809 /nfs/dbraw/zinc/16/48/09/303164809.db2.gz NPRSTWHJOZVWCX-NSHDSACASA-N 1 2 329.360 1.316 20 5 EDBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000295027609 303164810 /nfs/dbraw/zinc/16/48/10/303164810.db2.gz NPRSTWHJOZVWCX-NSHDSACASA-N 1 2 329.360 1.316 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295796259 303268342 /nfs/dbraw/zinc/26/83/42/303268342.db2.gz RHEPWJWWTWRLAV-UHFFFAOYSA-N 1 2 345.359 1.248 20 5 EDBDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000438648168 305187691 /nfs/dbraw/zinc/18/76/91/305187691.db2.gz GFUGQGKODAWDJY-NSHDSACASA-N 1 2 325.390 1.333 20 5 EDBDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000438648168 305187692 /nfs/dbraw/zinc/18/76/92/305187692.db2.gz GFUGQGKODAWDJY-NSHDSACASA-N 1 2 325.390 1.333 20 5 EDBDLO CC[C@@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447815016 305286194 /nfs/dbraw/zinc/28/61/94/305286194.db2.gz CVFVQEYVDXJVJD-QGZVFWFLSA-N 1 2 335.404 1.778 20 5 EDBDLO CO[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000449573928 305314261 /nfs/dbraw/zinc/31/42/61/305314261.db2.gz UPSWBEDCNAFHCU-ZIAGYGMSSA-N 1 2 335.385 1.910 20 5 EDBDLO CO[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000449573928 305314262 /nfs/dbraw/zinc/31/42/62/305314262.db2.gz UPSWBEDCNAFHCU-ZIAGYGMSSA-N 1 2 335.385 1.910 20 5 EDBDLO O=C(C[N@H+]1CC[C@](O)(C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432888 305345822 /nfs/dbraw/zinc/34/58/22/305345822.db2.gz ONWYKIJJGAAUTA-CYBMUJFWSA-N 1 2 349.721 1.889 20 5 EDBDLO O=C(C[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432888 305345823 /nfs/dbraw/zinc/34/58/23/305345823.db2.gz ONWYKIJJGAAUTA-CYBMUJFWSA-N 1 2 349.721 1.889 20 5 EDBDLO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1 ZINC000451637083 305358042 /nfs/dbraw/zinc/35/80/42/305358042.db2.gz ARGRQCNNZWOKNI-LLVKDONJSA-N 1 2 330.344 1.613 20 5 EDBDLO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1 ZINC000451637083 305358043 /nfs/dbraw/zinc/35/80/43/305358043.db2.gz ARGRQCNNZWOKNI-LLVKDONJSA-N 1 2 330.344 1.613 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000542610598 306055080 /nfs/dbraw/zinc/05/50/80/306055080.db2.gz FEFFLVLRBJAHTJ-RKDXNWHRSA-N 1 2 349.347 1.973 20 5 EDBDLO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556935470 306221404 /nfs/dbraw/zinc/22/14/04/306221404.db2.gz FXQKEYYOBBKGBL-RLCCDNCMSA-N 1 2 349.387 1.624 20 5 EDBDLO O=C(NCCCCn1cc[nH+]c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000057374216 441111734 /nfs/dbraw/zinc/11/17/34/441111734.db2.gz DFOYHROVPPGQSO-UHFFFAOYSA-N 1 2 346.391 1.983 20 5 EDBDLO COc1cc(OCC(=O)N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000070782466 441120854 /nfs/dbraw/zinc/12/08/54/441120854.db2.gz YTVYVHVFMVRULB-UHFFFAOYSA-N 1 2 334.332 1.374 20 5 EDBDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000080535784 441178010 /nfs/dbraw/zinc/17/80/10/441178010.db2.gz PODBQJXVGNIYTA-UHFFFAOYSA-N 1 2 332.404 1.648 20 5 EDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000058958996 441223606 /nfs/dbraw/zinc/22/36/06/441223606.db2.gz STLONYWPYVYLOE-UHFFFAOYSA-N 1 2 347.375 1.860 20 5 EDBDLO CCc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000081834141 441319640 /nfs/dbraw/zinc/31/96/40/441319640.db2.gz STWXWNJDCDHMCO-UHFFFAOYSA-N 1 2 335.404 1.998 20 5 EDBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000026483972 441379262 /nfs/dbraw/zinc/37/92/62/441379262.db2.gz OCAUTMBMWVRCCJ-UHFFFAOYSA-N 1 2 346.343 1.692 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025759459 441355154 /nfs/dbraw/zinc/35/51/54/441355154.db2.gz RBBNWKWUNKYTCG-UHFFFAOYSA-N 1 2 345.359 1.095 20 5 EDBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026199153 441370551 /nfs/dbraw/zinc/37/05/51/441370551.db2.gz UMZFYXZKORIVBH-TZMCWYRMSA-N 1 2 333.388 1.983 20 5 EDBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026199153 441370553 /nfs/dbraw/zinc/37/05/53/441370553.db2.gz UMZFYXZKORIVBH-TZMCWYRMSA-N 1 2 333.388 1.983 20 5 EDBDLO CN(Cc1cn[nH]c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000074162892 441401306 /nfs/dbraw/zinc/40/13/06/441401306.db2.gz IUSZTXUASNYWDS-UHFFFAOYSA-N 1 2 326.316 1.776 20 5 EDBDLO CN(C[C@@H](O)C1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000087555892 441493565 /nfs/dbraw/zinc/49/35/65/441493565.db2.gz PCITTZWYDUHYAQ-OAHLLOKOSA-N 1 2 330.344 1.623 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000053638412 441534431 /nfs/dbraw/zinc/53/44/31/441534431.db2.gz LCVXYBOWYMKDLW-UHFFFAOYSA-N 1 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ZINC000090552409 441634577 /nfs/dbraw/zinc/63/45/77/441634577.db2.gz LYTXENSUBVQPQF-ZDUSSCGKSA-N 1 2 335.385 1.892 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000090552409 441634580 /nfs/dbraw/zinc/63/45/80/441634580.db2.gz LYTXENSUBVQPQF-ZDUSSCGKSA-N 1 2 335.385 1.892 20 5 EDBDLO Cn1ccnc1C(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000138944533 441800646 /nfs/dbraw/zinc/80/06/46/441800646.db2.gz XXOPSRNPRQLCCN-UHFFFAOYSA-N 1 2 329.360 1.311 20 5 EDBDLO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCN(C)CC1 ZINC000154686595 442351951 /nfs/dbraw/zinc/35/19/51/442351951.db2.gz LFXJNHLNAOYTOZ-GFCCVEGCSA-N 1 2 338.383 1.029 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134322972 442470540 /nfs/dbraw/zinc/47/05/40/442470540.db2.gz HASMDOLEZBLPRJ-UHFFFAOYSA-N 1 2 325.340 1.528 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+](CCO)Cc2cccnc2)c2c(c1)COCO2 ZINC000156735421 442514859 /nfs/dbraw/zinc/51/48/59/442514859.db2.gz FGDDPSUDEPPQRP-UHFFFAOYSA-N 1 2 345.355 1.851 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2cccnc2)c2c(c1)COCO2 ZINC000156735421 442514863 /nfs/dbraw/zinc/51/48/63/442514863.db2.gz FGDDPSUDEPPQRP-UHFFFAOYSA-N 1 2 345.355 1.851 20 5 EDBDLO O=C(NC1(CO)CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179178697 442591209 /nfs/dbraw/zinc/59/12/09/442591209.db2.gz JIHVTBWEMILNBM-UHFFFAOYSA-N 1 2 330.344 1.815 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135676822 442624496 /nfs/dbraw/zinc/62/44/96/442624496.db2.gz NELYNEGSIOJWSP-HNNXBMFYSA-N 1 2 339.417 1.595 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135676822 442624501 /nfs/dbraw/zinc/62/45/01/442624501.db2.gz NELYNEGSIOJWSP-HNNXBMFYSA-N 1 2 339.417 1.595 20 5 EDBDLO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C(N)=O)C1 ZINC000187376329 442672811 /nfs/dbraw/zinc/67/28/11/442672811.db2.gz IQTVUUMADRHTEH-YGRLFVJLSA-N 1 2 335.360 1.547 20 5 EDBDLO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C(N)=O)C1 ZINC000187376329 442672813 /nfs/dbraw/zinc/67/28/13/442672813.db2.gz IQTVUUMADRHTEH-YGRLFVJLSA-N 1 2 335.360 1.547 20 5 EDBDLO O=C(NCCCCNc1cccc[nH+]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188420854 442748868 /nfs/dbraw/zinc/74/88/68/442748868.db2.gz LSMIDIGBJDFTBJ-UHFFFAOYSA-N 1 2 331.332 1.713 20 5 EDBDLO CO[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181730587 442713513 /nfs/dbraw/zinc/71/35/13/442713513.db2.gz MPOKNILQJLUFQV-CYBMUJFWSA-N 1 2 328.390 1.479 20 5 EDBDLO CO[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181730587 442713518 /nfs/dbraw/zinc/71/35/18/442713518.db2.gz MPOKNILQJLUFQV-CYBMUJFWSA-N 1 2 328.390 1.479 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182397813 442763316 /nfs/dbraw/zinc/76/33/16/442763316.db2.gz KIXXPNIMSRMXJP-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182397813 442763318 /nfs/dbraw/zinc/76/33/18/442763318.db2.gz KIXXPNIMSRMXJP-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000193657977 442764670 /nfs/dbraw/zinc/76/46/70/442764670.db2.gz KZQAQDIIABNUBD-ZANVPECISA-N 1 2 331.332 1.259 20 5 EDBDLO O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000267864583 442771909 /nfs/dbraw/zinc/77/19/09/442771909.db2.gz JOJSDCPBBMNQMB-SNVBAGLBSA-N 1 2 337.332 1.109 20 5 EDBDLO O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000267864583 442771913 /nfs/dbraw/zinc/77/19/13/442771913.db2.gz JOJSDCPBBMNQMB-SNVBAGLBSA-N 1 2 337.332 1.109 20 5 EDBDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188642002 442778184 /nfs/dbraw/zinc/77/81/84/442778184.db2.gz KSHQJXNSGIEHHG-UHFFFAOYSA-N 1 2 343.387 1.610 20 5 EDBDLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194278956 442870745 /nfs/dbraw/zinc/87/07/45/442870745.db2.gz FYJJEOFTURFCMM-YGRLFVJLSA-N 1 2 343.343 1.035 20 5 EDBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000268233234 442910534 /nfs/dbraw/zinc/91/05/34/442910534.db2.gz FZUDPMJZXUXJOJ-ZWNOBZJWSA-N 1 2 330.348 1.373 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194662148 442934421 /nfs/dbraw/zinc/93/44/21/442934421.db2.gz UMYYONCWKQMTGL-UHFFFAOYSA-N 1 2 338.327 1.809 20 5 EDBDLO COCC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265960812 442984608 /nfs/dbraw/zinc/98/46/08/442984608.db2.gz GUHCOMPHHPCKSA-UHFFFAOYSA-N 1 2 335.404 1.663 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184264882 443007208 /nfs/dbraw/zinc/00/72/08/443007208.db2.gz KLZOPGYTUCAOGY-UHFFFAOYSA-N 1 2 341.371 1.971 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c([N+](=O)[O-])cc1F ZINC000184214946 443002622 /nfs/dbraw/zinc/00/26/22/443002622.db2.gz LYGLUOSPWDCHDT-CYBMUJFWSA-N 1 2 337.351 1.986 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c([N+](=O)[O-])cc1F ZINC000184214946 443002625 /nfs/dbraw/zinc/00/26/25/443002625.db2.gz LYGLUOSPWDCHDT-CYBMUJFWSA-N 1 2 337.351 1.986 20 5 EDBDLO Cc1nc2n(n1)CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000267352745 443427720 /nfs/dbraw/zinc/42/77/20/443427720.db2.gz GIYQPXADKRRNGL-UHFFFAOYSA-N 1 2 331.332 1.377 20 5 EDBDLO Cc1nc2n(n1)CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000267352745 443427724 /nfs/dbraw/zinc/42/77/24/443427724.db2.gz GIYQPXADKRRNGL-UHFFFAOYSA-N 1 2 331.332 1.377 20 5 EDBDLO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000267547484 443492952 /nfs/dbraw/zinc/49/29/52/443492952.db2.gz QZDUXQFUZCIPGB-GWCFXTLKSA-N 1 2 326.784 1.800 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267655833 443529608 /nfs/dbraw/zinc/52/96/08/443529608.db2.gz CMPXCTRRDINONZ-ZFWWWQNUSA-N 1 2 349.435 1.509 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000267655833 443529610 /nfs/dbraw/zinc/52/96/10/443529610.db2.gz CMPXCTRRDINONZ-ZFWWWQNUSA-N 1 2 349.435 1.509 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000279034092 443496167 /nfs/dbraw/zinc/49/61/67/443496167.db2.gz AWTWRWWPJBIBLU-NSHDSACASA-N 1 2 325.340 1.527 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451664556 320237968 /nfs/dbraw/zinc/23/79/68/320237968.db2.gz ZDJKIBCODYSLOS-CQSZACIVSA-N 1 2 342.417 1.873 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451664556 320237969 /nfs/dbraw/zinc/23/79/69/320237969.db2.gz ZDJKIBCODYSLOS-CQSZACIVSA-N 1 2 342.417 1.873 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286304497 443686817 /nfs/dbraw/zinc/68/68/17/443686817.db2.gz DOGROXKQSXFZEE-STQMWFEESA-N 1 2 346.330 1.691 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286304497 443686819 /nfs/dbraw/zinc/68/68/19/443686819.db2.gz DOGROXKQSXFZEE-STQMWFEESA-N 1 2 346.330 1.691 20 5 EDBDLO COc1cc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000280491293 443727157 /nfs/dbraw/zinc/72/71/57/443727157.db2.gz OOEFBSQIPSBUAY-AWEZNQCLSA-N 1 2 349.366 1.969 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000276543742 443740730 /nfs/dbraw/zinc/74/07/30/443740730.db2.gz ROZIFKWSJDYLFT-KRWDZBQOSA-N 1 2 347.415 1.707 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000276543742 443740733 /nfs/dbraw/zinc/74/07/33/443740733.db2.gz ROZIFKWSJDYLFT-KRWDZBQOSA-N 1 2 347.415 1.707 20 5 EDBDLO COC(=O)c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000276706840 443798356 /nfs/dbraw/zinc/79/83/56/443798356.db2.gz IYCFFZRNFHJIAA-LBPRGKRZSA-N 1 2 343.343 1.862 20 5 EDBDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000288465722 443889929 /nfs/dbraw/zinc/88/99/29/443889929.db2.gz UORHIYKZLKAMTF-LBPRGKRZSA-N 1 2 329.316 1.024 20 5 EDBDLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000288465722 443889931 /nfs/dbraw/zinc/88/99/31/443889931.db2.gz UORHIYKZLKAMTF-LBPRGKRZSA-N 1 2 329.316 1.024 20 5 EDBDLO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000288497957 443899297 /nfs/dbraw/zinc/89/92/97/443899297.db2.gz WJEYYEOPJOLPMV-AWEZNQCLSA-N 1 2 334.420 1.232 20 5 EDBDLO COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299074143 443946872 /nfs/dbraw/zinc/94/68/72/443946872.db2.gz PNLQDNFJCSLSHG-JTQLQIEISA-N 1 2 340.361 1.167 20 5 EDBDLO C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000293272168 443969481 /nfs/dbraw/zinc/96/94/81/443969481.db2.gz UZPFDRJNFPJHKF-UONOGXRCSA-N 1 2 333.388 1.920 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@H+](C)CCO1 ZINC000277482414 443991619 /nfs/dbraw/zinc/99/16/19/443991619.db2.gz CQAOKSGSTKNVGB-SNVBAGLBSA-N 1 2 343.767 1.777 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000277482414 443991622 /nfs/dbraw/zinc/99/16/22/443991622.db2.gz CQAOKSGSTKNVGB-SNVBAGLBSA-N 1 2 343.767 1.777 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000288875740 444003459 /nfs/dbraw/zinc/00/34/59/444003459.db2.gz MBGFBXLDNBAYID-JTQLQIEISA-N 1 2 338.437 1.733 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299403442 444037798 /nfs/dbraw/zinc/03/77/98/444037798.db2.gz SJANFZYDMDTNIG-UHFFFAOYSA-N 1 2 345.359 1.683 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000299543401 444075273 /nfs/dbraw/zinc/07/52/73/444075273.db2.gz AUAFSKUQXUSWJR-LLVKDONJSA-N 1 2 342.359 1.422 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000285880169 444138879 /nfs/dbraw/zinc/13/88/79/444138879.db2.gz QSZUTLZCAKYLCK-BBRMVZONSA-N 1 2 333.388 1.459 20 5 EDBDLO Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000301094515 444143477 /nfs/dbraw/zinc/14/34/77/444143477.db2.gz OUUANDCLXBHXRO-UHFFFAOYSA-N 1 2 335.320 1.674 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c(OC(F)F)c1 ZINC000302219728 444209398 /nfs/dbraw/zinc/20/93/98/444209398.db2.gz LSJDIXVIPORZKQ-LLVKDONJSA-N 1 2 328.319 1.608 20 5 EDBDLO COC[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296582964 444240145 /nfs/dbraw/zinc/24/01/45/444240145.db2.gz DYJZZHFNHFKOKB-HNNXBMFYSA-N 1 2 342.417 1.727 20 5 EDBDLO COC[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296582964 444240148 /nfs/dbraw/zinc/24/01/48/444240148.db2.gz DYJZZHFNHFKOKB-HNNXBMFYSA-N 1 2 342.417 1.727 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000319371042 444323663 /nfs/dbraw/zinc/32/36/63/444323663.db2.gz VGAGQENLDDMGMH-UHFFFAOYSA-N 1 2 331.369 1.449 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000319371042 444323666 /nfs/dbraw/zinc/32/36/66/444323666.db2.gz VGAGQENLDDMGMH-UHFFFAOYSA-N 1 2 331.369 1.449 20 5 EDBDLO Cn1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])nn1 ZINC000619154669 450418641 /nfs/dbraw/zinc/41/86/41/450418641.db2.gz HCQQOXHFASPIIR-UHFFFAOYSA-N 1 2 332.364 1.168 20 5 EDBDLO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)S1=O ZINC000330397277 444965078 /nfs/dbraw/zinc/96/50/78/444965078.db2.gz GPXDFZHAEQGLRG-VXGBXAGGSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330866985 445172167 /nfs/dbraw/zinc/17/21/67/445172167.db2.gz ZXEZTNZWRFBACV-SMDDNHRTSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330866985 445172171 /nfs/dbraw/zinc/17/21/71/445172171.db2.gz ZXEZTNZWRFBACV-SMDDNHRTSA-N 1 2 328.390 1.071 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCCCF)CC2)cc1 ZINC000351855721 445344181 /nfs/dbraw/zinc/34/41/81/445344181.db2.gz JKSFKSJEMNNTRS-UHFFFAOYSA-N 1 2 345.396 1.651 20 5 EDBDLO CCc1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000348657655 445345308 /nfs/dbraw/zinc/34/53/08/445345308.db2.gz FMUUOSVMKCOGAR-UHFFFAOYSA-N 1 2 342.315 1.656 20 5 EDBDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2c([N+](=O)[O-])ncn2C)on1 ZINC000359662756 445362873 /nfs/dbraw/zinc/36/28/73/445362873.db2.gz KVTCSBRVJPNJPS-QWRGUYRKSA-N 1 2 338.343 1.649 20 5 EDBDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2c([N+](=O)[O-])ncn2C)on1 ZINC000359662756 445362878 /nfs/dbraw/zinc/36/28/78/445362878.db2.gz KVTCSBRVJPNJPS-QWRGUYRKSA-N 1 2 338.343 1.649 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000351904853 445366431 /nfs/dbraw/zinc/36/64/31/445366431.db2.gz QGWCUTKYQXCYST-VXGBXAGGSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000351904853 445366435 /nfs/dbraw/zinc/36/64/35/445366435.db2.gz QGWCUTKYQXCYST-VXGBXAGGSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000362499586 445413414 /nfs/dbraw/zinc/41/34/14/445413414.db2.gz PFBJYJZUAASRSS-JTQLQIEISA-N 1 2 343.330 1.252 20 5 EDBDLO CSc1cccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362818460 445564040 /nfs/dbraw/zinc/56/40/40/445564040.db2.gz UYYZIFYSABGBPJ-VXGBXAGGSA-N 1 2 337.401 1.472 20 5 EDBDLO CSc1cccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362818460 445564044 /nfs/dbraw/zinc/56/40/44/445564044.db2.gz UYYZIFYSABGBPJ-VXGBXAGGSA-N 1 2 337.401 1.472 20 5 EDBDLO Cc1ccc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000365917893 445905483 /nfs/dbraw/zinc/90/54/83/445905483.db2.gz GDLGONARJJVHQS-OAHLLOKOSA-N 1 2 332.404 1.694 20 5 EDBDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000359122838 445963806 /nfs/dbraw/zinc/96/38/06/445963806.db2.gz QVBAZCBQXAOWAB-JTQLQIEISA-N 1 2 349.372 1.300 20 5 EDBDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000359122838 445963811 /nfs/dbraw/zinc/96/38/11/445963811.db2.gz QVBAZCBQXAOWAB-JTQLQIEISA-N 1 2 349.372 1.300 20 5 EDBDLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147025 446051942 /nfs/dbraw/zinc/05/19/42/446051942.db2.gz RCOGEVJNGLOFLG-LSDHHAIUSA-N 1 2 334.420 1.436 20 5 EDBDLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147025 446051944 /nfs/dbraw/zinc/05/19/44/446051944.db2.gz RCOGEVJNGLOFLG-LSDHHAIUSA-N 1 2 334.420 1.436 20 5 EDBDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000369313338 446066328 /nfs/dbraw/zinc/06/63/28/446066328.db2.gz ZIZZELSWDXDBOH-GXTWGEPZSA-N 1 2 348.359 1.727 20 5 EDBDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000369313338 446066334 /nfs/dbraw/zinc/06/63/34/446066334.db2.gz ZIZZELSWDXDBOH-GXTWGEPZSA-N 1 2 348.359 1.727 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]21 ZINC000356930840 446134215 /nfs/dbraw/zinc/13/42/15/446134215.db2.gz FLXDADPQHUHDRN-CABCVRRESA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]21 ZINC000356930840 446134219 /nfs/dbraw/zinc/13/42/19/446134219.db2.gz FLXDADPQHUHDRN-CABCVRRESA-N 1 2 330.344 1.231 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373221430 446103021 /nfs/dbraw/zinc/10/30/21/446103021.db2.gz RSXIDEHCCUGBFT-UHFFFAOYSA-N 1 2 335.324 1.270 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359355806 446170188 /nfs/dbraw/zinc/17/01/88/446170188.db2.gz AXRVIVYAFDLKMW-UHFFFAOYSA-N 1 2 326.259 1.892 20 5 EDBDLO Cc1noc(C2C[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366780550 446348015 /nfs/dbraw/zinc/34/80/15/446348015.db2.gz UNGORLQIMISDJI-GFCCVEGCSA-N 1 2 334.332 1.125 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000374355427 446364891 /nfs/dbraw/zinc/36/48/91/446364891.db2.gz XZADEJUJPUCKOE-LLVKDONJSA-N 1 2 336.373 1.507 20 5 EDBDLO Cc1cc(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)ccc1[N+](=O)[O-] ZINC000376180346 446369469 /nfs/dbraw/zinc/36/94/69/446369469.db2.gz GUIDVMPTYWTAPS-UHFFFAOYSA-N 1 2 332.404 1.646 20 5 EDBDLO Cc1cc(N2CCC(N3CC[N@H+](C)CC3=O)CC2)ccc1[N+](=O)[O-] ZINC000376180346 446369473 /nfs/dbraw/zinc/36/94/73/446369473.db2.gz GUIDVMPTYWTAPS-UHFFFAOYSA-N 1 2 332.404 1.646 20 5 EDBDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370790426 446445261 /nfs/dbraw/zinc/44/52/61/446445261.db2.gz PHEDDFMDEJFWEP-UHFFFAOYSA-N 1 2 343.387 1.676 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000374812855 446403781 /nfs/dbraw/zinc/40/37/81/446403781.db2.gz VTLVUADFFKRUSK-ZDUSSCGKSA-N 1 2 349.387 1.540 20 5 EDBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000376541718 446563162 /nfs/dbraw/zinc/56/31/62/446563162.db2.gz OJEGZDNJZNJVNS-AWEZNQCLSA-N 1 2 338.360 1.628 20 5 EDBDLO COC(=O)C[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000376541718 446563166 /nfs/dbraw/zinc/56/31/66/446563166.db2.gz OJEGZDNJZNJVNS-AWEZNQCLSA-N 1 2 338.360 1.628 20 5 EDBDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000411846695 446695306 /nfs/dbraw/zinc/69/53/06/446695306.db2.gz PSQNQVVPARYEJV-UHFFFAOYSA-N 1 2 329.360 1.376 20 5 EDBDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000411846695 446695311 /nfs/dbraw/zinc/69/53/11/446695311.db2.gz PSQNQVVPARYEJV-UHFFFAOYSA-N 1 2 329.360 1.376 20 5 EDBDLO COc1cc(N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000375348460 446740251 /nfs/dbraw/zinc/74/02/51/446740251.db2.gz QXCSRFULCSHZJM-BDJLRTHQSA-N 1 2 345.359 1.769 20 5 EDBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412037013 446798743 /nfs/dbraw/zinc/79/87/43/446798743.db2.gz MUFBHYOTQSLTOX-XOKHGSTOSA-N 1 2 346.431 1.450 20 5 EDBDLO Cc1c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000371358664 446803302 /nfs/dbraw/zinc/80/33/02/446803302.db2.gz CGOFALWKOOZXBJ-VIFPVBQESA-N 1 2 345.315 1.822 20 5 EDBDLO Cc1c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000371358664 446803310 /nfs/dbraw/zinc/80/33/10/446803310.db2.gz CGOFALWKOOZXBJ-VIFPVBQESA-N 1 2 345.315 1.822 20 5 EDBDLO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000455083357 447045373 /nfs/dbraw/zinc/04/53/73/447045373.db2.gz LYZRTFCYWGMEEQ-AWEZNQCLSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000455083357 447045377 /nfs/dbraw/zinc/04/53/77/447045377.db2.gz LYZRTFCYWGMEEQ-AWEZNQCLSA-N 1 2 334.376 1.888 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000377490190 447159767 /nfs/dbraw/zinc/15/97/67/447159767.db2.gz VXKYPGVULSSWML-LBPRGKRZSA-N 1 2 330.344 1.853 20 5 EDBDLO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375897231 447129091 /nfs/dbraw/zinc/12/90/91/447129091.db2.gz FNPRZKMIFVXTFI-UHFFFAOYSA-N 1 2 349.387 1.675 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000372549680 447130799 /nfs/dbraw/zinc/13/07/99/447130799.db2.gz FJYIUSGOSUPRKZ-GFCCVEGCSA-N 1 2 330.344 1.610 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056316 447239987 /nfs/dbraw/zinc/23/99/87/447239987.db2.gz KZQQCNDHRKYMFT-WCQYABFASA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056316 447239988 /nfs/dbraw/zinc/23/99/88/447239988.db2.gz KZQQCNDHRKYMFT-WCQYABFASA-N 1 2 335.360 1.284 20 5 EDBDLO CN(C)C(=O)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000446835256 447259030 /nfs/dbraw/zinc/25/90/30/447259030.db2.gz KFJSOUPKCFAOOY-UHFFFAOYSA-N 1 2 342.359 1.791 20 5 EDBDLO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015687 447264700 /nfs/dbraw/zinc/26/47/00/447264700.db2.gz GXINFEVHEJEMBO-UKRRQHHQSA-N 1 2 329.360 1.655 20 5 EDBDLO NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015687 447264710 /nfs/dbraw/zinc/26/47/10/447264710.db2.gz GXINFEVHEJEMBO-UKRRQHHQSA-N 1 2 329.360 1.655 20 5 EDBDLO C[C@H]1CC[C@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000422000514 447302934 /nfs/dbraw/zinc/30/29/34/447302934.db2.gz DLVTXIDTOPGPJS-AAEUAGOBSA-N 1 2 330.344 1.766 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000427399409 447590378 /nfs/dbraw/zinc/59/03/78/447590378.db2.gz MWVXYRIOCNEQHA-GFCCVEGCSA-N 1 2 331.332 1.500 20 5 EDBDLO CC[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000428307187 447688627 /nfs/dbraw/zinc/68/86/27/447688627.db2.gz SHOJBTPFILIERL-IAQYHMDHSA-N 1 2 326.349 1.266 20 5 EDBDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459501137 447689588 /nfs/dbraw/zinc/68/95/88/447689588.db2.gz ZAMQRRJKEOZWEM-AWEZNQCLSA-N 1 2 349.435 1.663 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451924536 447784586 /nfs/dbraw/zinc/78/45/86/447784586.db2.gz DDYVFJSOGYXUAR-LLVKDONJSA-N 1 2 338.389 1.992 20 5 EDBDLO COC(=O)Nc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000496624751 447835798 /nfs/dbraw/zinc/83/57/98/447835798.db2.gz QXYWATHIAXALRC-UHFFFAOYSA-N 1 2 341.305 1.297 20 5 EDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000524453703 447931731 /nfs/dbraw/zinc/93/17/31/447931731.db2.gz IAMGLHLQOCXOJG-CYBMUJFWSA-N 1 2 343.387 1.847 20 5 EDBDLO Cc1nc(N)c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000554690529 448049503 /nfs/dbraw/zinc/04/95/03/448049503.db2.gz NFIYIOLLCNFPHC-UHFFFAOYSA-N 1 2 326.316 1.687 20 5 EDBDLO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cn1cc[nH+]c1 ZINC000531086355 448015940 /nfs/dbraw/zinc/01/59/40/448015940.db2.gz AZVPJOYDAQXZGC-JTQLQIEISA-N 1 2 332.316 1.586 20 5 EDBDLO CC[C@H]1C[N@H+](CC)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000576583497 448090534 /nfs/dbraw/zinc/09/05/34/448090534.db2.gz MERMKZYXSKXKDC-LBPRGKRZSA-N 1 2 341.433 1.919 20 5 EDBDLO CC[C@H]1C[N@@H+](CC)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000576583497 448090535 /nfs/dbraw/zinc/09/05/35/448090535.db2.gz MERMKZYXSKXKDC-LBPRGKRZSA-N 1 2 341.433 1.919 20 5 EDBDLO C[C@@H](O)CNc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc[nH+]1 ZINC000556840061 448163344 /nfs/dbraw/zinc/16/33/44/448163344.db2.gz VLDKJLJYIZKCEU-LLVKDONJSA-N 1 2 329.360 1.740 20 5 EDBDLO C[C@@H](O)CNc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]cn1 ZINC000556840061 448163348 /nfs/dbraw/zinc/16/33/48/448163348.db2.gz VLDKJLJYIZKCEU-LLVKDONJSA-N 1 2 329.360 1.740 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000492767514 448285883 /nfs/dbraw/zinc/28/58/83/448285883.db2.gz CQRIDLAPOROIKW-IJFMQLDHSA-N 1 2 349.362 1.679 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000492767514 448285888 /nfs/dbraw/zinc/28/58/88/448285888.db2.gz CQRIDLAPOROIKW-IJFMQLDHSA-N 1 2 349.362 1.679 20 5 EDBDLO COc1cc(S(=O)(=O)Nc2cc(C)[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000533468601 448407021 /nfs/dbraw/zinc/40/70/21/448407021.db2.gz STLTYANHYVXYAS-UHFFFAOYSA-N 1 2 337.357 1.838 20 5 EDBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000566570514 448510904 /nfs/dbraw/zinc/51/09/04/448510904.db2.gz KMSFPBVZXMRGST-UHFFFAOYSA-N 1 2 346.391 1.883 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000592052894 448650652 /nfs/dbraw/zinc/65/06/52/448650652.db2.gz PZGBYLHMJXQCLO-GFCCVEGCSA-N 1 2 341.433 1.872 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000592052894 448650655 /nfs/dbraw/zinc/65/06/55/448650655.db2.gz PZGBYLHMJXQCLO-GFCCVEGCSA-N 1 2 341.433 1.872 20 5 EDBDLO Nc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000592432736 448833799 /nfs/dbraw/zinc/83/37/99/448833799.db2.gz SXUXFDACNGGIKG-UHFFFAOYSA-N 1 2 341.371 1.530 20 5 EDBDLO C[C@H]1C(=O)N(C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592727472 448962911 /nfs/dbraw/zinc/96/29/11/448962911.db2.gz BDAIONSHIAAQTQ-JTQLQIEISA-N 1 2 329.316 1.041 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000611083504 449162142 /nfs/dbraw/zinc/16/21/42/449162142.db2.gz AWNKDFLSYQEOEK-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000611083504 449162145 /nfs/dbraw/zinc/16/21/45/449162145.db2.gz AWNKDFLSYQEOEK-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@H]21 ZINC000595792440 449167760 /nfs/dbraw/zinc/16/77/60/449167760.db2.gz ZWRBVILQRPNFOJ-CFVMTHIKSA-N 1 2 340.401 1.147 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@H]21 ZINC000595792440 449167764 /nfs/dbraw/zinc/16/77/64/449167764.db2.gz ZWRBVILQRPNFOJ-CFVMTHIKSA-N 1 2 340.401 1.147 20 5 EDBDLO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401648 449148573 /nfs/dbraw/zinc/14/85/73/449148573.db2.gz MYQGYSYGFRJDDC-UONOGXRCSA-N 1 2 335.360 1.236 20 5 EDBDLO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401648 449148574 /nfs/dbraw/zinc/14/85/74/449148574.db2.gz MYQGYSYGFRJDDC-UONOGXRCSA-N 1 2 335.360 1.236 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595803941 449176786 /nfs/dbraw/zinc/17/67/86/449176786.db2.gz ZDEWYXLWVPOQRV-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595803941 449176791 /nfs/dbraw/zinc/17/67/91/449176791.db2.gz ZDEWYXLWVPOQRV-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO O=C(C[N@@H+]1CCC2(COC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595834216 449197558 /nfs/dbraw/zinc/19/75/58/449197558.db2.gz MEWLVYLCRNNJQG-UHFFFAOYSA-N 1 2 325.752 1.909 20 5 EDBDLO O=C(C[N@H+]1CCC2(COC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595834216 449197561 /nfs/dbraw/zinc/19/75/61/449197561.db2.gz MEWLVYLCRNNJQG-UHFFFAOYSA-N 1 2 325.752 1.909 20 5 EDBDLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593966690 449307827 /nfs/dbraw/zinc/30/78/27/449307827.db2.gz QYQJEACBWIOAJJ-WDEREUQCSA-N 1 2 329.364 1.609 20 5 EDBDLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593966690 449307832 /nfs/dbraw/zinc/30/78/32/449307832.db2.gz QYQJEACBWIOAJJ-WDEREUQCSA-N 1 2 329.364 1.609 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000593530577 449327950 /nfs/dbraw/zinc/32/79/50/449327950.db2.gz ZZRWKBOXSHVEED-UHFFFAOYSA-N 1 2 340.405 1.239 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611540207 449330155 /nfs/dbraw/zinc/33/01/55/449330155.db2.gz MIBOECWKOSXEAM-ZDUSSCGKSA-N 1 2 341.433 1.493 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611540207 449330160 /nfs/dbraw/zinc/33/01/60/449330160.db2.gz MIBOECWKOSXEAM-ZDUSSCGKSA-N 1 2 341.433 1.493 20 5 EDBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594403963 449496939 /nfs/dbraw/zinc/49/69/39/449496939.db2.gz OTKJNUYTNUEXIQ-UTUOFQBUSA-N 1 2 337.376 1.528 20 5 EDBDLO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594403963 449496942 /nfs/dbraw/zinc/49/69/42/449496942.db2.gz OTKJNUYTNUEXIQ-UTUOFQBUSA-N 1 2 337.376 1.528 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000596431727 449499501 /nfs/dbraw/zinc/49/95/01/449499501.db2.gz QDMVKMMPCGIRDL-NEPJUHHUSA-N 1 2 337.376 1.903 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000596431727 449499504 /nfs/dbraw/zinc/49/95/04/449499504.db2.gz QDMVKMMPCGIRDL-NEPJUHHUSA-N 1 2 337.376 1.903 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601023154 449659766 /nfs/dbraw/zinc/65/97/66/449659766.db2.gz YDSAGBSQNWRAAL-OAHLLOKOSA-N 1 2 333.388 1.463 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601023154 449659771 /nfs/dbraw/zinc/65/97/71/449659771.db2.gz YDSAGBSQNWRAAL-OAHLLOKOSA-N 1 2 333.388 1.463 20 5 EDBDLO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773143 449686018 /nfs/dbraw/zinc/68/60/18/449686018.db2.gz UXZVXEKAEVLVPQ-GFCCVEGCSA-N 1 2 342.421 1.389 20 5 EDBDLO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773143 449686023 /nfs/dbraw/zinc/68/60/23/449686023.db2.gz UXZVXEKAEVLVPQ-GFCCVEGCSA-N 1 2 342.421 1.389 20 5 EDBDLO Cn1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)nn1 ZINC000602600087 449698150 /nfs/dbraw/zinc/69/81/50/449698150.db2.gz FCNITZIKGXKCPK-UHFFFAOYSA-N 1 2 332.183 1.837 20 5 EDBDLO COCC(=O)NC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599025888 449703253 /nfs/dbraw/zinc/70/32/53/449703253.db2.gz SPQHZGNWHZIUFA-UHFFFAOYSA-N 1 2 344.371 1.874 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000599000204 449689473 /nfs/dbraw/zinc/68/94/73/449689473.db2.gz LYMQIZDBDUBGDS-GXTWGEPZSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000599000204 449689481 /nfs/dbraw/zinc/68/94/81/449689481.db2.gz LYMQIZDBDUBGDS-GXTWGEPZSA-N 1 2 336.392 1.594 20 5 EDBDLO CCc1cc(N[C@H]2C[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599144068 449762663 /nfs/dbraw/zinc/76/26/63/449762663.db2.gz PSZRTZKBXJJDIF-AULYBMBSSA-N 1 2 341.371 1.712 20 5 EDBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1COCC[N@@H+]1C ZINC000599161888 449771347 /nfs/dbraw/zinc/77/13/47/449771347.db2.gz XRQGIFDGGBSKLD-LLVKDONJSA-N 1 2 332.360 1.316 20 5 EDBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1COCC[N@H+]1C ZINC000599161888 449771354 /nfs/dbraw/zinc/77/13/54/449771354.db2.gz XRQGIFDGGBSKLD-LLVKDONJSA-N 1 2 332.360 1.316 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594964923 449822581 /nfs/dbraw/zinc/82/25/81/449822581.db2.gz DJEOEWAEZDOXQO-NWDGAFQWSA-N 1 2 334.781 1.150 20 5 EDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612617017 449801878 /nfs/dbraw/zinc/80/18/78/449801878.db2.gz ZHTGGEUPTIXJBG-LBPRGKRZSA-N 1 2 338.339 1.672 20 5 EDBDLO Cc1nnc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000602945292 449947695 /nfs/dbraw/zinc/94/76/95/449947695.db2.gz ZPSVSBHLZIVQMX-LBPRGKRZSA-N 1 2 330.392 1.915 20 5 EDBDLO COc1ccc(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595219138 449954576 /nfs/dbraw/zinc/95/45/76/449954576.db2.gz BTWDSPFIXUTXPI-SECBINFHSA-N 1 2 347.331 1.153 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000601664899 450152698 /nfs/dbraw/zinc/15/26/98/450152698.db2.gz AAORHTUAJUCXSR-QWRGUYRKSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000601664899 450152704 /nfs/dbraw/zinc/15/27/04/450152704.db2.gz AAORHTUAJUCXSR-QWRGUYRKSA-N 1 2 325.340 1.573 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])O1 ZINC000595478157 450171564 /nfs/dbraw/zinc/17/15/64/450171564.db2.gz YFNXLLZNFNBWQP-IELRGYKMSA-N 1 2 339.348 1.575 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2onc(C)c2[N+](=O)[O-])O1 ZINC000595478157 450171569 /nfs/dbraw/zinc/17/15/69/450171569.db2.gz YFNXLLZNFNBWQP-IELRGYKMSA-N 1 2 339.348 1.575 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601732290 450196066 /nfs/dbraw/zinc/19/60/66/450196066.db2.gz CCJQZNZPSQIHTH-OWCLPIDISA-N 1 2 333.388 1.487 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601732290 450196070 /nfs/dbraw/zinc/19/60/70/450196070.db2.gz CCJQZNZPSQIHTH-OWCLPIDISA-N 1 2 333.388 1.487 20 5 EDBDLO Cc1cc(OCC(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000601732922 450197044 /nfs/dbraw/zinc/19/70/44/450197044.db2.gz DIRDOZMWAXLGTB-AWEZNQCLSA-N 1 2 337.376 1.071 20 5 EDBDLO Cc1cc(OCC(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000601732922 450197049 /nfs/dbraw/zinc/19/70/49/450197049.db2.gz DIRDOZMWAXLGTB-AWEZNQCLSA-N 1 2 337.376 1.071 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](CO)C1 ZINC000615990649 450291937 /nfs/dbraw/zinc/29/19/37/450291937.db2.gz FGPTZPYZMBYWPQ-OAHLLOKOSA-N 1 2 335.404 1.636 20 5 EDBDLO CN(C)c1c[nH+]ccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000619808014 450340181 /nfs/dbraw/zinc/34/01/81/450340181.db2.gz WZCCRAQGUGBLDI-UHFFFAOYSA-N 1 2 329.360 1.842 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610907597 450377156 /nfs/dbraw/zinc/37/71/56/450377156.db2.gz QOFGUNWKBLJORA-OAHLLOKOSA-N 1 2 335.360 1.237 20 5 EDBDLO CNC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000264258572 536435124 /nfs/dbraw/zinc/43/51/24/536435124.db2.gz LSMVFJVPKDSELJ-NWDGAFQWSA-N 1 2 336.392 1.476 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000728544635 578548598 /nfs/dbraw/zinc/54/85/98/578548598.db2.gz JXHAGGUIMNCTPX-UHFFFAOYSA-N 1 2 345.359 1.095 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)S1 ZINC000744609420 579517433 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EDBDLO C/C(=C/C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751871805 579825525 /nfs/dbraw/zinc/82/55/25/579825525.db2.gz RTDFQCBMZOPYMT-YBEMTRGBSA-N 1 2 333.388 1.835 20 5 EDBDLO CO[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000751947255 579829726 /nfs/dbraw/zinc/82/97/26/579829726.db2.gz NRAXFZSIGDJQPZ-ZDUSSCGKSA-N 1 2 334.332 1.042 20 5 EDBDLO CO[C@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000751947255 579829727 /nfs/dbraw/zinc/82/97/27/579829727.db2.gz NRAXFZSIGDJQPZ-ZDUSSCGKSA-N 1 2 334.332 1.042 20 5 EDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000755950082 579939364 /nfs/dbraw/zinc/93/93/64/579939364.db2.gz NJWWBYNOBTXELK-JOCHJYFZSA-N 1 2 345.852 1.744 20 5 EDBDLO O=[N+]([O-])c1ccn(Cc2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)n1 ZINC000762217772 580069955 /nfs/dbraw/zinc/06/99/55/580069955.db2.gz ZVLSVGOUFGIPKG-UHFFFAOYSA-N 1 2 338.287 1.470 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000768560640 580216171 /nfs/dbraw/zinc/21/61/71/580216171.db2.gz CXHQEPRANRDEOJ-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000768560640 580216172 /nfs/dbraw/zinc/21/61/72/580216172.db2.gz CXHQEPRANRDEOJ-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000771911100 580298230 /nfs/dbraw/zinc/29/82/30/580298230.db2.gz KTJBCTHRFRGJHO-UHFFFAOYSA-N 1 2 327.300 1.834 20 5 EDBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000776586813 580422575 /nfs/dbraw/zinc/42/25/75/580422575.db2.gz QJRBDTQKLDEAEV-ZIAGYGMSSA-N 1 2 328.390 1.137 20 5 EDBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000776586813 580422576 /nfs/dbraw/zinc/42/25/76/580422576.db2.gz QJRBDTQKLDEAEV-ZIAGYGMSSA-N 1 2 328.390 1.137 20 5 EDBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784356797 580619267 /nfs/dbraw/zinc/61/92/67/580619267.db2.gz UHQYVBVZSJNJOF-BFYDXBDKSA-N 1 2 334.372 1.698 20 5 EDBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784356797 580619268 /nfs/dbraw/zinc/61/92/68/580619268.db2.gz UHQYVBVZSJNJOF-BFYDXBDKSA-N 1 2 334.372 1.698 20 5 EDBDLO CC(=O)N(C)C1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794624122 580900038 /nfs/dbraw/zinc/90/00/38/580900038.db2.gz RYSJHXKLULATCI-UHFFFAOYSA-N 1 2 348.359 1.403 20 5 EDBDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000794664904 580901967 /nfs/dbraw/zinc/90/19/67/580901967.db2.gz LNWHULVYSAALSB-MLGOLLRUSA-N 1 2 332.360 1.782 20 5 EDBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000794664904 580901968 /nfs/dbraw/zinc/90/19/68/580901968.db2.gz LNWHULVYSAALSB-MLGOLLRUSA-N 1 2 332.360 1.782 20 5 EDBDLO COC(=O)[C@H]1CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795643796 580932470 /nfs/dbraw/zinc/93/24/70/580932470.db2.gz 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O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000801566631 581080298 /nfs/dbraw/zinc/08/02/98/581080298.db2.gz DJAXRDIGMHAPIK-DGCLKSJQSA-N 1 2 332.303 1.300 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000801566631 581080299 /nfs/dbraw/zinc/08/02/99/581080299.db2.gz DJAXRDIGMHAPIK-DGCLKSJQSA-N 1 2 332.303 1.300 20 5 EDBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CCn2c[nH+]cc2C1 ZINC000840073606 593116440 /nfs/dbraw/zinc/11/64/40/593116440.db2.gz HNEWQGQWVOVVTM-MRXNPFEDSA-N 1 2 343.343 1.202 20 5 EDBDLO CO[C@@]1(C)CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000794649495 593185716 /nfs/dbraw/zinc/18/57/16/593185716.db2.gz LWRBIONBHRSPDY-INIZCTEOSA-N 1 2 333.344 1.649 20 5 EDBDLO CO[C@@]1(C)CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000794649495 593185718 /nfs/dbraw/zinc/18/57/18/593185718.db2.gz LWRBIONBHRSPDY-INIZCTEOSA-N 1 2 333.344 1.649 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000839036949 593249183 /nfs/dbraw/zinc/24/91/83/593249183.db2.gz YXVZNVPCKQSAIM-MRXNPFEDSA-N 1 2 346.362 1.985 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000808562073 593268578 /nfs/dbraw/zinc/26/85/78/593268578.db2.gz CCUGKCZGJFLFMZ-SNVBAGLBSA-N 1 2 344.314 1.679 20 5 EDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000804326777 593404912 /nfs/dbraw/zinc/40/49/12/593404912.db2.gz GDLXDZYXMBPOJB-GFCCVEGCSA-N 1 2 336.348 1.804 20 5 EDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)c2nccnc2C1=O ZINC000840065711 593460107 /nfs/dbraw/zinc/46/01/07/593460107.db2.gz PYQSOCFEJUQCJU-UHFFFAOYSA-N 1 2 341.327 1.113 20 5 EDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)c2nccnc2C1=O ZINC000840065711 593460108 /nfs/dbraw/zinc/46/01/08/593460108.db2.gz PYQSOCFEJUQCJU-UHFFFAOYSA-N 1 2 341.327 1.113 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C[C@@H]21 ZINC000814174054 593577714 /nfs/dbraw/zinc/57/77/14/593577714.db2.gz 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1F ZINC000867213679 595039003 /nfs/dbraw/zinc/03/90/03/595039003.db2.gz AZECVKOPGDZGPM-UHFFFAOYSA-N 1 2 343.380 1.583 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1F ZINC000867213679 595039005 /nfs/dbraw/zinc/03/90/05/595039005.db2.gz AZECVKOPGDZGPM-UHFFFAOYSA-N 1 2 343.380 1.583 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842655538 595159494 /nfs/dbraw/zinc/15/94/94/595159494.db2.gz FXDDDCFBEJKCIE-ZDUSSCGKSA-N 1 2 339.348 1.797 20 5 EDBDLO NC(COC[C@H]1CCCO1)=[NH+]OCCOc1cccc([N+](=O)[O-])c1 ZINC000842656607 595160285 /nfs/dbraw/zinc/16/02/85/595160285.db2.gz NXTMPRPQMVFNHC-CQSZACIVSA-N 1 2 339.348 1.668 20 5 EDBDLO C[C@H]1C(=O)NCCC[N@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848485671 595392720 /nfs/dbraw/zinc/39/27/20/595392720.db2.gz SINDVTXIEIHIFB-LBPRGKRZSA-N 1 2 329.360 1.626 20 5 EDBDLO C[C@H]1C(=O)NCCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848485671 595392722 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20 5 EDBDLO CN(CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000361277609 152351394 /nfs/dbraw/zinc/35/13/94/152351394.db2.gz COJGZDKMGWHPKR-LLVKDONJSA-N 1 2 329.360 1.428 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000363918850 153096223 /nfs/dbraw/zinc/09/62/23/153096223.db2.gz IGKZUJUPWDJTIX-SNVBAGLBSA-N 1 2 339.421 1.144 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000363918850 153096224 /nfs/dbraw/zinc/09/62/24/153096224.db2.gz IGKZUJUPWDJTIX-SNVBAGLBSA-N 1 2 339.421 1.144 20 5 EDBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1n1cc[nH+]c1 ZINC000364653583 153294445 /nfs/dbraw/zinc/29/44/45/153294445.db2.gz RSBMOKYGDWQYOV-GXFFZTMASA-N 1 2 330.348 1.492 20 5 EDBDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000369515807 155066606 /nfs/dbraw/zinc/06/66/06/155066606.db2.gz BCOSXISFMZGDPW-SNVBAGLBSA-N 1 2 331.332 1.227 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000374337541 157251193 /nfs/dbraw/zinc/25/11/93/157251193.db2.gz OJPFUKYMIHPAFL-GFCCVEGCSA-N 1 2 330.348 1.062 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000374337541 157251197 /nfs/dbraw/zinc/25/11/97/157251197.db2.gz OJPFUKYMIHPAFL-GFCCVEGCSA-N 1 2 330.348 1.062 20 5 EDBDLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000377776850 157990338 /nfs/dbraw/zinc/99/03/38/157990338.db2.gz NEXJGBPXEANLIJ-HUUCEWRRSA-N 1 2 333.348 1.062 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378058443 158067563 /nfs/dbraw/zinc/06/75/63/158067563.db2.gz NPCVNNKRVNXLHH-NSHDSACASA-N 1 2 344.375 1.587 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378058443 158067564 /nfs/dbraw/zinc/06/75/64/158067564.db2.gz NPCVNNKRVNXLHH-NSHDSACASA-N 1 2 344.375 1.587 20 5 EDBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1nccs1 ZINC000072665261 287255208 /nfs/dbraw/zinc/25/52/08/287255208.db2.gz HPPFDHGIKHQHCR-JTQLQIEISA-N 1 2 348.388 1.571 20 5 EDBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1nccs1 ZINC000072665261 287255211 /nfs/dbraw/zinc/25/52/11/287255211.db2.gz HPPFDHGIKHQHCR-JTQLQIEISA-N 1 2 348.388 1.571 20 5 EDBDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122070579 222008803 /nfs/dbraw/zinc/00/88/03/222008803.db2.gz DQRXYGVBQVNBBN-UHFFFAOYSA-N 1 2 347.824 1.716 20 5 EDBDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122070579 222008805 /nfs/dbraw/zinc/00/88/05/222008805.db2.gz DQRXYGVBQVNBBN-UHFFFAOYSA-N 1 2 347.824 1.716 20 5 EDBDLO O=C(NC[C@H]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191161875 272979275 /nfs/dbraw/zinc/97/92/75/272979275.db2.gz HVKDRSWQXVGSNL-AAEUAGOBSA-N 1 2 330.344 1.671 20 5 EDBDLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274852943 268223100 /nfs/dbraw/zinc/22/31/00/268223100.db2.gz UOIQPMLNPYNFTR-LLVKDONJSA-N 1 2 345.396 1.885 20 5 EDBDLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274852943 268223103 /nfs/dbraw/zinc/22/31/03/268223103.db2.gz UOIQPMLNPYNFTR-LLVKDONJSA-N 1 2 345.396 1.885 20 5 EDBDLO CCC1(O)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273416971 273037447 /nfs/dbraw/zinc/03/74/47/273037447.db2.gz YJRFRGKKCNXQJV-UHFFFAOYSA-N 1 2 342.417 1.605 20 5 EDBDLO CCOCCOC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273752695 273052830 /nfs/dbraw/zinc/05/28/30/273052830.db2.gz XCCJCDPOMRGQOQ-ZDUSSCGKSA-N 1 2 340.376 1.072 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284045118 274059451 /nfs/dbraw/zinc/05/94/51/274059451.db2.gz OZXMJTHMRLDHJE-HUUCEWRRSA-N 1 2 334.376 1.209 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284045118 274059453 /nfs/dbraw/zinc/05/94/53/274059453.db2.gz OZXMJTHMRLDHJE-HUUCEWRRSA-N 1 2 334.376 1.209 20 5 EDBDLO Cc1noc([C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284580477 274252211 /nfs/dbraw/zinc/25/22/11/274252211.db2.gz HBKVLXYNNBBIMX-OAHLLOKOSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1noc([C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284580477 274252214 /nfs/dbraw/zinc/25/22/14/274252214.db2.gz HBKVLXYNNBBIMX-OAHLLOKOSA-N 1 2 347.375 1.654 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284839245 274353788 /nfs/dbraw/zinc/35/37/88/274353788.db2.gz QWOZQIGEXPGADY-RDJZCZTQSA-N 1 2 335.404 1.898 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284839245 274353789 /nfs/dbraw/zinc/35/37/89/274353789.db2.gz QWOZQIGEXPGADY-RDJZCZTQSA-N 1 2 335.404 1.898 20 5 EDBDLO Cc1noc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C)n1 ZINC000284864111 274364156 /nfs/dbraw/zinc/36/41/56/274364156.db2.gz MJFQQMNVLADEPF-HNNXBMFYSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1noc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C)n1 ZINC000284864111 274364157 /nfs/dbraw/zinc/36/41/57/274364157.db2.gz MJFQQMNVLADEPF-HNNXBMFYSA-N 1 2 347.375 1.654 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286490096 288018125 /nfs/dbraw/zinc/01/81/25/288018125.db2.gz XGELSAWXYVAVLU-PWSUYJOCSA-N 1 2 326.784 1.943 20 5 EDBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123671258 278895960 /nfs/dbraw/zinc/89/59/60/278895960.db2.gz SQFAFQJNRSEDQU-UHFFFAOYSA-N 1 2 345.396 1.696 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000287218159 288183731 /nfs/dbraw/zinc/18/37/31/288183731.db2.gz IPDJBXICXMNTFW-RYUDHWBXSA-N 1 2 334.376 1.112 20 5 EDBDLO Cc1c(C(=O)N2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000291056667 288995470 /nfs/dbraw/zinc/99/54/70/288995470.db2.gz HOBJAWQLGIXVKJ-UHFFFAOYSA-N 1 2 331.288 1.664 20 5 EDBDLO CC1(C)OCC(CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CO1 ZINC000291194015 289015743 /nfs/dbraw/zinc/01/57/43/289015743.db2.gz PLIWOGQMXBYMCC-UHFFFAOYSA-N 1 2 330.768 1.852 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c2c(c1)COCO2 ZINC000291269153 289028346 /nfs/dbraw/zinc/02/83/46/289028346.db2.gz NRGAXJINZCABEZ-GFCCVEGCSA-N 1 2 344.314 1.911 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c2c(c1)COCO2 ZINC000291269153 289028348 /nfs/dbraw/zinc/02/83/48/289028348.db2.gz NRGAXJINZCABEZ-GFCCVEGCSA-N 1 2 344.314 1.911 20 5 EDBDLO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000291495505 289085208 /nfs/dbraw/zinc/08/52/08/289085208.db2.gz RNCKAGPOPLBFBP-TZMCWYRMSA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000371702990 292851812 /nfs/dbraw/zinc/85/18/12/292851812.db2.gz HTDKHCXLKSVZMP-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000249076100 297291137 /nfs/dbraw/zinc/29/11/37/297291137.db2.gz RVVSUZPFHBKZEA-DABQJJPHSA-N 1 2 342.417 1.602 20 5 EDBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000249076100 297291139 /nfs/dbraw/zinc/29/11/39/297291139.db2.gz RVVSUZPFHBKZEA-DABQJJPHSA-N 1 2 342.417 1.602 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000377828261 304568728 /nfs/dbraw/zinc/56/87/28/304568728.db2.gz FPNXNYSWKAPLAE-HNNXBMFYSA-N 1 2 346.387 1.021 20 5 EDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000420440894 304758123 /nfs/dbraw/zinc/75/81/23/304758123.db2.gz HVUZCBRWWUWYAE-VIFPVBQESA-N 1 2 335.332 1.118 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420436551 301864182 /nfs/dbraw/zinc/86/41/82/301864182.db2.gz IMEMWJXMUNMCHF-CYBMUJFWSA-N 1 2 331.369 1.225 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000456199455 447320468 /nfs/dbraw/zinc/32/04/68/447320468.db2.gz GXJRTFRZDXDVNK-PHIMTYICSA-N 1 2 337.380 1.034 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000456199455 447320473 /nfs/dbraw/zinc/32/04/73/447320473.db2.gz GXJRTFRZDXDVNK-PHIMTYICSA-N 1 2 337.380 1.034 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293778121 303017518 /nfs/dbraw/zinc/01/75/18/303017518.db2.gz LPBJIXKJOAANEP-BETUJISGSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293778121 303017521 /nfs/dbraw/zinc/01/75/21/303017521.db2.gz LPBJIXKJOAANEP-BETUJISGSA-N 1 2 341.433 1.925 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000340752623 303018540 /nfs/dbraw/zinc/01/85/40/303018540.db2.gz ZZHRABSQOWEYBU-RYUDHWBXSA-N 1 2 326.422 1.815 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000340752623 303018542 /nfs/dbraw/zinc/01/85/42/303018542.db2.gz ZZHRABSQOWEYBU-RYUDHWBXSA-N 1 2 326.422 1.815 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000295027598 303164639 /nfs/dbraw/zinc/16/46/39/303164639.db2.gz NPRSTWHJOZVWCX-LLVKDONJSA-N 1 2 329.360 1.316 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000295027598 303164640 /nfs/dbraw/zinc/16/46/40/303164640.db2.gz NPRSTWHJOZVWCX-LLVKDONJSA-N 1 2 329.360 1.316 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295574378 303236828 /nfs/dbraw/zinc/23/68/28/303236828.db2.gz GKQMEDLRLUNXNL-UHFFFAOYSA-N 1 2 335.339 1.946 20 5 EDBDLO Nc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000301094072 303660576 /nfs/dbraw/zinc/66/05/76/303660576.db2.gz LWFRLALEJCAYEF-UHFFFAOYSA-N 1 2 329.364 1.964 20 5 EDBDLO CN(C)c1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000302137599 303714661 /nfs/dbraw/zinc/71/46/61/303714661.db2.gz NISUDAJVQIGYSB-UHFFFAOYSA-N 1 2 337.361 1.447 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CCO1 ZINC000428061777 305006244 /nfs/dbraw/zinc/00/62/44/305006244.db2.gz IFMHIULZUFASCH-LLVKDONJSA-N 1 2 339.396 1.282 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CCO1 ZINC000428061777 305006245 /nfs/dbraw/zinc/00/62/45/305006245.db2.gz IFMHIULZUFASCH-LLVKDONJSA-N 1 2 339.396 1.282 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428060611 305006309 /nfs/dbraw/zinc/00/63/09/305006309.db2.gz FEFMEHDNGQYLQI-CQSZACIVSA-N 1 2 337.376 1.201 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000428060611 305006310 /nfs/dbraw/zinc/00/63/10/305006310.db2.gz FEFMEHDNGQYLQI-CQSZACIVSA-N 1 2 337.376 1.201 20 5 EDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000439458295 305197848 /nfs/dbraw/zinc/19/78/48/305197848.db2.gz BWEJQLZLSXEQMO-UHFFFAOYSA-N 1 2 342.359 1.469 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000450829649 305331420 /nfs/dbraw/zinc/33/14/20/305331420.db2.gz MTYBGQFPQJHLPJ-SECBINFHSA-N 1 2 339.377 1.632 20 5 EDBDLO CCn1nnc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516710292 305740088 /nfs/dbraw/zinc/74/00/88/305740088.db2.gz VQNFQNXNRNWALM-UHFFFAOYSA-N 1 2 331.380 1.232 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000543542792 306064745 /nfs/dbraw/zinc/06/47/45/306064745.db2.gz HOBONEUXJQNKCQ-VIFPVBQESA-N 1 2 349.347 1.974 20 5 EDBDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000047743124 441223922 /nfs/dbraw/zinc/22/39/22/441223922.db2.gz KXBYUISWGVCDJD-OAHLLOKOSA-N 1 2 346.431 1.975 20 5 EDBDLO Cc1c(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000106032749 441323922 /nfs/dbraw/zinc/32/39/22/441323922.db2.gz JZOSUYDNMBZNQP-UHFFFAOYSA-N 1 2 343.387 1.595 20 5 EDBDLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000106393062 441337170 /nfs/dbraw/zinc/33/71/70/441337170.db2.gz OBVFIVGWAPLWHP-LLVKDONJSA-N 1 2 327.406 1.493 20 5 EDBDLO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000109628293 441502900 /nfs/dbraw/zinc/50/29/00/441502900.db2.gz OTQKCGKFWHUAGO-WDEREUQCSA-N 1 2 339.396 1.109 20 5 EDBDLO CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000109628296 441502973 /nfs/dbraw/zinc/50/29/73/441502973.db2.gz OTQKCGKFWHUAGO-GHMZBOCLSA-N 1 2 339.396 1.109 20 5 EDBDLO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCOCC1 ZINC000042029272 441696451 /nfs/dbraw/zinc/69/64/51/441696451.db2.gz ISKYLJYTZCHQAK-LBPRGKRZSA-N 1 2 325.365 1.665 20 5 EDBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000176262964 442201804 /nfs/dbraw/zinc/20/18/04/442201804.db2.gz RKIBMANJEWNYSU-GFCCVEGCSA-N 1 2 339.396 1.733 20 5 EDBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000176262964 442201809 /nfs/dbraw/zinc/20/18/09/442201809.db2.gz RKIBMANJEWNYSU-GFCCVEGCSA-N 1 2 339.396 1.733 20 5 EDBDLO CN(C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000170903315 442285800 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1.071 20 5 EDBDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186827000 442617856 /nfs/dbraw/zinc/61/78/56/442617856.db2.gz KDFFJNQFBQCSDE-FZMZJTMJSA-N 1 2 328.390 1.071 20 5 EDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)C(F)(F)F ZINC000181333328 442690842 /nfs/dbraw/zinc/69/08/42/442690842.db2.gz AINDSUZMUWANIN-NSHDSACASA-N 1 2 336.266 1.816 20 5 EDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)C(F)(F)F ZINC000181333328 442690843 /nfs/dbraw/zinc/69/08/43/442690843.db2.gz AINDSUZMUWANIN-NSHDSACASA-N 1 2 336.266 1.816 20 5 EDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265671368 442872862 /nfs/dbraw/zinc/87/28/62/442872862.db2.gz ZQFYJEBKXCTPDB-XYBRWBABSA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265671368 442872866 /nfs/dbraw/zinc/87/28/66/442872866.db2.gz ZQFYJEBKXCTPDB-XYBRWBABSA-N 1 2 342.417 1.176 20 5 EDBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189194061 442895660 /nfs/dbraw/zinc/89/56/60/442895660.db2.gz FHEHMOGVFIRZQX-UHFFFAOYSA-N 1 2 340.299 1.206 20 5 EDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268308721 442941016 /nfs/dbraw/zinc/94/10/16/442941016.db2.gz PDIUISFNHNSRJW-JTQLQIEISA-N 1 2 334.405 1.912 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268317720 442945276 /nfs/dbraw/zinc/94/52/76/442945276.db2.gz DSOKQBBXBFIMTI-JSGCOSHPSA-N 1 2 340.376 1.606 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268317720 442945281 /nfs/dbraw/zinc/94/52/81/442945281.db2.gz DSOKQBBXBFIMTI-JSGCOSHPSA-N 1 2 340.376 1.606 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000249381218 442970147 /nfs/dbraw/zinc/97/01/47/442970147.db2.gz RSLJUBOASKGSOZ-HIFRSBDPSA-N 1 2 346.387 1.937 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000249381218 442970151 /nfs/dbraw/zinc/97/01/51/442970151.db2.gz RSLJUBOASKGSOZ-HIFRSBDPSA-N 1 2 346.387 1.937 20 5 EDBDLO Cn1cc([C@]2(C)C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000268447104 442992819 /nfs/dbraw/zinc/99/28/19/442992819.db2.gz IDSXSHUTQJMAEB-KRWDZBQOSA-N 1 2 346.387 1.955 20 5 EDBDLO Cn1cc([C@]2(C)C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000268447104 442992822 /nfs/dbraw/zinc/99/28/22/442992822.db2.gz IDSXSHUTQJMAEB-KRWDZBQOSA-N 1 2 346.387 1.955 20 5 EDBDLO COc1cccc(C(=O)NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000195421696 443017075 /nfs/dbraw/zinc/01/70/75/443017075.db2.gz QEMQDEUTGSEMCC-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCOCC1 ZINC000298586834 318829210 /nfs/dbraw/zinc/82/92/10/318829210.db2.gz APPJUBDEEPQPOJ-NSHDSACASA-N 1 2 333.344 1.792 20 5 EDBDLO CCC1(CC)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[S@]1=O ZINC000185272968 443174474 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AUUJOTYYLDKGNN-GFCCVEGCSA-N 1 2 346.387 1.869 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000283231185 443568517 /nfs/dbraw/zinc/56/85/17/443568517.db2.gz SXLIDAAUIDSUCX-NSHDSACASA-N 1 2 335.360 1.843 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000283231185 443568519 /nfs/dbraw/zinc/56/85/19/443568519.db2.gz SXLIDAAUIDSUCX-NSHDSACASA-N 1 2 335.360 1.843 20 5 EDBDLO C[C@H](C[S@@](C)=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273147348 443551080 /nfs/dbraw/zinc/55/10/80/443551080.db2.gz GQFDNFQUXVCCKK-CAAIUEGSSA-N 1 2 336.417 1.774 20 5 EDBDLO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273147356 443551730 /nfs/dbraw/zinc/55/17/30/443551730.db2.gz GQFDNFQUXVCCKK-PXJNQOFFSA-N 1 2 336.417 1.774 20 5 EDBDLO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCO1 ZINC000436949722 320027894 /nfs/dbraw/zinc/02/78/94/320027894.db2.gz ARKUWRGBJFYINB-LBPRGKRZSA-N 1 2 337.376 1.531 20 5 EDBDLO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCO1 ZINC000436949722 320027897 /nfs/dbraw/zinc/02/78/97/320027897.db2.gz ARKUWRGBJFYINB-LBPRGKRZSA-N 1 2 337.376 1.531 20 5 EDBDLO CCN1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449521331 320193933 /nfs/dbraw/zinc/19/39/33/320193933.db2.gz UPSWAZFDIMTWLK-XJKSGUPXSA-N 1 2 343.387 1.628 20 5 EDBDLO C[C@@](O)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000520211564 320475479 /nfs/dbraw/zinc/47/54/79/320475479.db2.gz ZBDJQXFCTDLKST-GFCCVEGCSA-N 1 2 334.298 1.425 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000291427008 443758210 /nfs/dbraw/zinc/75/82/10/443758210.db2.gz LDBBUHXDTODIAC-UHFFFAOYSA-N 1 2 329.360 1.859 20 5 EDBDLO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000276850072 443852096 /nfs/dbraw/zinc/85/20/96/443852096.db2.gz ZKXVQPPWOYRNED-OAHLLOKOSA-N 1 2 343.387 1.766 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298976690 443918585 /nfs/dbraw/zinc/91/85/85/443918585.db2.gz IZRCQAUXQJNQMY-UHFFFAOYSA-N 1 2 333.348 1.486 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282056122 444073877 /nfs/dbraw/zinc/07/38/77/444073877.db2.gz YDBXCAFRZBWYGB-SECBINFHSA-N 1 2 335.393 1.134 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282056122 444073880 /nfs/dbraw/zinc/07/38/80/444073880.db2.gz YDBXCAFRZBWYGB-SECBINFHSA-N 1 2 335.393 1.134 20 5 EDBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[nH+]1 ZINC000563285589 321105132 /nfs/dbraw/zinc/10/51/32/321105132.db2.gz UPTRTVAEOZLGGI-UHFFFAOYSA-N 1 2 334.380 1.881 20 5 EDBDLO CCN1CC[NH+]([C@@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1 ZINC000302062836 444202614 /nfs/dbraw/zinc/20/26/14/444202614.db2.gz SOWLGJJSZCRRTR-OAHLLOKOSA-N 1 2 334.420 1.303 20 5 EDBDLO CS[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000296387065 444224881 /nfs/dbraw/zinc/22/48/81/444224881.db2.gz SJVCBLSTRBNMPS-VIFPVBQESA-N 1 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CO[C@@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006720 444723709 /nfs/dbraw/zinc/72/37/09/444723709.db2.gz NLXFIPVJISYOEL-DOMZBBRYSA-N 1 2 345.355 1.929 20 5 EDBDLO CO[C@@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006720 444723711 /nfs/dbraw/zinc/72/37/11/444723711.db2.gz NLXFIPVJISYOEL-DOMZBBRYSA-N 1 2 345.355 1.929 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000338425953 444688549 /nfs/dbraw/zinc/68/85/49/444688549.db2.gz UMAJJMBBTIWFLX-ZDUSSCGKSA-N 1 2 342.417 1.730 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000338425953 444688551 /nfs/dbraw/zinc/68/85/51/444688551.db2.gz UMAJJMBBTIWFLX-ZDUSSCGKSA-N 1 2 342.417 1.730 20 5 EDBDLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342717468 444831810 /nfs/dbraw/zinc/83/18/10/444831810.db2.gz DBNQUADQIWTPAD-NWDGAFQWSA-N 1 2 326.349 1.218 20 5 EDBDLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] 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EDBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333476 215035094 /nfs/dbraw/zinc/03/50/94/215035094.db2.gz OSAGVNJFMSVYST-SNVBAGLBSA-N 1 2 333.435 1.667 20 5 EDBDLO CC(C)NC(=O)CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066695503 215069621 /nfs/dbraw/zinc/06/96/21/215069621.db2.gz YUXNXSQGSQUOIM-CQSZACIVSA-N 1 2 334.420 1.798 20 5 EDBDLO CC(C)NC(=O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066695503 215069623 /nfs/dbraw/zinc/06/96/23/215069623.db2.gz YUXNXSQGSQUOIM-CQSZACIVSA-N 1 2 334.420 1.798 20 5 EDBDLO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)[NH+]1CCOCC1 ZINC000104599511 219398179 /nfs/dbraw/zinc/39/81/79/219398179.db2.gz SMSYYRLDDRCUGX-NEPJUHHUSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102180537 138298361 /nfs/dbraw/zinc/29/83/61/138298361.db2.gz TYWCOMIJTIPHJB-NSHDSACASA-N 1 2 335.364 1.008 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000102180537 138298362 /nfs/dbraw/zinc/29/83/62/138298362.db2.gz TYWCOMIJTIPHJB-NSHDSACASA-N 1 2 335.364 1.008 20 5 EDBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC[C@H]1CCCO1 ZINC000130893059 223185277 /nfs/dbraw/zinc/18/52/77/223185277.db2.gz GANIWEJEOOSHGM-MRXNPFEDSA-N 1 2 333.388 1.854 20 5 EDBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC[C@H]1CCCO1 ZINC000130893059 223185278 /nfs/dbraw/zinc/18/52/78/223185278.db2.gz GANIWEJEOOSHGM-MRXNPFEDSA-N 1 2 333.388 1.854 20 5 EDBDLO CN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000414146847 304102828 /nfs/dbraw/zinc/10/28/28/304102828.db2.gz RBWRVHNTOZYWJQ-GFCCVEGCSA-N 1 2 329.784 1.235 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245862756 139087786 /nfs/dbraw/zinc/08/77/86/139087786.db2.gz FQYAYOXDPQBEAD-ZBEGNZNMSA-N 1 2 337.376 1.777 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC000245862756 139087787 /nfs/dbraw/zinc/08/77/87/139087787.db2.gz 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COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000263644025 139349304 /nfs/dbraw/zinc/34/93/04/139349304.db2.gz AAJATZLQQAWQKP-DIECRNLCSA-N 1 2 335.360 1.524 20 5 EDBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000459782018 255000570 /nfs/dbraw/zinc/00/05/70/255000570.db2.gz HGJTUWOKUWCBNN-JTQLQIEISA-N 1 2 333.348 1.626 20 5 EDBDLO CC(C)(C)n1nnnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488794931 255054748 /nfs/dbraw/zinc/05/47/48/255054748.db2.gz KTHHHQBHXKSZKE-UHFFFAOYSA-N 1 2 334.384 1.370 20 5 EDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154280537 224231458 /nfs/dbraw/zinc/23/14/58/224231458.db2.gz NJFNKHCXSGIKOF-MJVIPROJSA-N 1 2 330.406 1.382 20 5 EDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154280537 224231460 /nfs/dbraw/zinc/23/14/60/224231460.db2.gz NJFNKHCXSGIKOF-MJVIPROJSA-N 1 2 330.406 1.382 20 5 EDBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nncn1C ZINC000494785270 255261326 /nfs/dbraw/zinc/26/13/26/255261326.db2.gz PMBNRISFIDQWLE-GXFFZTMASA-N 1 2 330.348 1.179 20 5 EDBDLO COCCOC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116886195 221003329 /nfs/dbraw/zinc/00/33/29/221003329.db2.gz MHZOBXIIJXKGBF-UHFFFAOYSA-N 1 2 337.376 1.661 20 5 EDBDLO C[C@@H](O)C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181869501 533582125 /nfs/dbraw/zinc/58/21/25/533582125.db2.gz BMCDCONWOXTWKK-GFCCVEGCSA-N 1 2 342.417 1.461 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000174924118 533562661 /nfs/dbraw/zinc/56/26/61/533562661.db2.gz NEWYTAOLLTXEKB-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000348047061 291996861 /nfs/dbraw/zinc/99/68/61/291996861.db2.gz KVQMNNWVTVZYDA-UHFFFAOYSA-N 1 2 348.340 1.446 20 5 EDBDLO Cc1ccc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000269912054 140017208 /nfs/dbraw/zinc/01/72/08/140017208.db2.gz IMJMSBNWRZKYSL-UHFFFAOYSA-N 1 2 327.344 1.978 20 5 EDBDLO COCC1(O)CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000270299994 140075971 /nfs/dbraw/zinc/07/59/71/140075971.db2.gz AHQQPONQWWYMNB-UHFFFAOYSA-N 1 2 348.359 1.618 20 5 EDBDLO C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271708593 140337303 /nfs/dbraw/zinc/33/73/03/140337303.db2.gz OYFHQPNBGDGNOC-OLZOCXBDSA-N 1 2 335.408 1.201 20 5 EDBDLO C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271708593 140337305 /nfs/dbraw/zinc/33/73/05/140337305.db2.gz OYFHQPNBGDGNOC-OLZOCXBDSA-N 1 2 335.408 1.201 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000332322025 141162199 /nfs/dbraw/zinc/16/21/99/141162199.db2.gz RPSCLQGHXICKKE-HNNXBMFYSA-N 1 2 348.403 1.519 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]2C(=O)N(C)C[C@@H]21 ZINC000345055305 143044768 /nfs/dbraw/zinc/04/47/68/143044768.db2.gz YDXMVFJIRLRWAW-JSGCOSHPSA-N 1 2 346.387 1.394 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]2C(=O)N(C)C[C@@H]21 ZINC000345055305 143044769 /nfs/dbraw/zinc/04/47/69/143044769.db2.gz YDXMVFJIRLRWAW-JSGCOSHPSA-N 1 2 346.387 1.394 20 5 EDBDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346282695 143186685 /nfs/dbraw/zinc/18/66/85/143186685.db2.gz YKIDYPFOQLEDNI-NSHDSACASA-N 1 2 331.332 1.714 20 5 EDBDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346282695 143186686 /nfs/dbraw/zinc/18/66/86/143186686.db2.gz YKIDYPFOQLEDNI-NSHDSACASA-N 1 2 331.332 1.714 20 5 EDBDLO C[C@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000347979334 143386908 /nfs/dbraw/zinc/38/69/08/143386908.db2.gz CFPBBVRWBCKSCK-COLVAYQJSA-N 1 2 337.351 1.379 20 5 EDBDLO C[C@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000347979334 143386909 /nfs/dbraw/zinc/38/69/09/143386909.db2.gz CFPBBVRWBCKSCK-COLVAYQJSA-N 1 2 337.351 1.379 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352941431 149223308 /nfs/dbraw/zinc/22/33/08/149223308.db2.gz MARCPPMDFOBJPX-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352941431 149223310 /nfs/dbraw/zinc/22/33/10/149223310.db2.gz MARCPPMDFOBJPX-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nnnn1-c1ccccc1)CC2 ZINC000352997555 149245245 /nfs/dbraw/zinc/24/52/45/149245245.db2.gz NTSVXNVLXJIRSJ-UHFFFAOYSA-N 1 2 337.343 1.524 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnnn1-c1ccccc1)CC2 ZINC000352997555 149245246 /nfs/dbraw/zinc/24/52/46/149245246.db2.gz NTSVXNVLXJIRSJ-UHFFFAOYSA-N 1 2 337.343 1.524 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000354877246 150006762 /nfs/dbraw/zinc/00/67/62/150006762.db2.gz FBALZZJGYDCXTG-CYBMUJFWSA-N 1 2 349.387 1.518 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000354877246 150006764 /nfs/dbraw/zinc/00/67/64/150006764.db2.gz FBALZZJGYDCXTG-CYBMUJFWSA-N 1 2 349.387 1.518 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355047521 150091342 /nfs/dbraw/zinc/09/13/42/150091342.db2.gz KIEZCDGAGKNWJP-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355047521 150091344 /nfs/dbraw/zinc/09/13/44/150091344.db2.gz KIEZCDGAGKNWJP-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO COc1cc(C[N@@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000355085802 150109674 /nfs/dbraw/zinc/10/96/74/150109674.db2.gz YVTVMWZFBQOTMP-GFCCVEGCSA-N 1 2 342.417 1.912 20 5 EDBDLO COc1cc(C[N@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000355085802 150109677 /nfs/dbraw/zinc/10/96/77/150109677.db2.gz YVTVMWZFBQOTMP-GFCCVEGCSA-N 1 2 342.417 1.912 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)n1 ZINC000355759789 150389498 /nfs/dbraw/zinc/38/94/98/150389498.db2.gz XGQQMSMSDRXRPH-UHFFFAOYSA-N 1 2 325.288 1.617 20 5 EDBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000370052776 155305678 /nfs/dbraw/zinc/30/56/78/155305678.db2.gz JQTDKYPJSJZXKV-UHFFFAOYSA-N 1 2 326.316 1.648 20 5 EDBDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000360694525 152156684 /nfs/dbraw/zinc/15/66/84/152156684.db2.gz XRSIEURXSVVYKV-GFCCVEGCSA-N 1 2 329.360 1.943 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361373022 152375435 /nfs/dbraw/zinc/37/54/35/152375435.db2.gz AXTXBYJSTFOTEA-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361373022 152375438 /nfs/dbraw/zinc/37/54/38/152375438.db2.gz AXTXBYJSTFOTEA-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO Cc1nn(CCC(=O)N[C@@H]2CCc3[nH+]ccn3C2)c(C)c1[N+](=O)[O-] ZINC000363634756 153018365 /nfs/dbraw/zinc/01/83/65/153018365.db2.gz OVOZRRGXXFCGDZ-GFCCVEGCSA-N 1 2 332.364 1.126 20 5 EDBDLO C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364981070 153389794 /nfs/dbraw/zinc/38/97/94/153389794.db2.gz CRCHNLNGHRLMBQ-IWCQGFGOSA-N 1 2 347.415 1.400 20 5 EDBDLO C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364981070 153389797 /nfs/dbraw/zinc/38/97/97/153389797.db2.gz CRCHNLNGHRLMBQ-IWCQGFGOSA-N 1 2 347.415 1.400 20 5 EDBDLO Nc1c(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)cc(F)cc1[N+](=O)[O-] ZINC000369520880 155068627 /nfs/dbraw/zinc/06/86/27/155068627.db2.gz RHPSRPYPYNJRFG-VIFPVBQESA-N 1 2 333.323 1.505 20 5 EDBDLO O=Cc1ccc(OCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000378514308 158196048 /nfs/dbraw/zinc/19/60/48/158196048.db2.gz AXAWFIIGVHGPOE-GFCCVEGCSA-N 1 2 344.327 1.873 20 5 EDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378518381 158197964 /nfs/dbraw/zinc/19/79/64/158197964.db2.gz RVJMUKDFZWEOSC-CYBMUJFWSA-N 1 2 343.343 1.411 20 5 EDBDLO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000352154053 162018240 /nfs/dbraw/zinc/01/82/40/162018240.db2.gz LTMIBDNSQWIIGJ-ZDUSSCGKSA-N 1 2 335.404 1.709 20 5 EDBDLO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccon1 ZINC000349247619 287015818 /nfs/dbraw/zinc/01/58/18/287015818.db2.gz ULXWIMIGXVKFOO-MRVPVSSYSA-N 1 2 334.288 1.601 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000112703539 287341084 /nfs/dbraw/zinc/34/10/84/287341084.db2.gz GOLQZUNWFCMTAY-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000112703539 287341085 /nfs/dbraw/zinc/34/10/85/287341085.db2.gz GOLQZUNWFCMTAY-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO Cc1c(CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000123204353 222233612 /nfs/dbraw/zinc/23/36/12/222233612.db2.gz BKRNJFMGJQXSIW-HNNXBMFYSA-N 1 2 333.388 1.425 20 5 EDBDLO Cc1c(CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000123204353 222233616 /nfs/dbraw/zinc/23/36/16/222233616.db2.gz BKRNJFMGJQXSIW-HNNXBMFYSA-N 1 2 333.388 1.425 20 5 EDBDLO CCC[C@@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000273364309 268035934 /nfs/dbraw/zinc/03/59/34/268035934.db2.gz QXRNHCWHFSTNHW-BLLLJJGKSA-N 1 2 340.376 1.656 20 5 EDBDLO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)nc(C(C)C)[nH+]1 ZINC000273233425 273034226 /nfs/dbraw/zinc/03/42/26/273034226.db2.gz XKJFLHWNEZSQQX-UHFFFAOYSA-N 1 2 343.391 1.933 20 5 EDBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000275585756 273111601 /nfs/dbraw/zinc/11/16/01/273111601.db2.gz HQKZRRGCAWJYSV-UHFFFAOYSA-N 1 2 339.359 1.355 20 5 EDBDLO COC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000279155685 273284209 /nfs/dbraw/zinc/28/42/09/273284209.db2.gz ZFLKJQDTCMXWQH-UONOGXRCSA-N 1 2 348.359 1.928 20 5 EDBDLO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280718521 273389860 /nfs/dbraw/zinc/38/98/60/273389860.db2.gz HDQUPZHFQMFLQP-GFCCVEGCSA-N 1 2 349.387 1.531 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000284127236 274089484 /nfs/dbraw/zinc/08/94/84/274089484.db2.gz OYTMARNMRZCSMG-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000284127236 274089487 /nfs/dbraw/zinc/08/94/87/274089487.db2.gz OYTMARNMRZCSMG-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000284693797 274296951 /nfs/dbraw/zinc/29/69/51/274296951.db2.gz SBIGVTWZVSZZDY-HUUCEWRRSA-N 1 2 347.371 1.514 20 5 EDBDLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000284693797 274296954 /nfs/dbraw/zinc/29/69/54/274296954.db2.gz SBIGVTWZVSZZDY-HUUCEWRRSA-N 1 2 347.371 1.514 20 5 EDBDLO CNC(=O)C[N@@H+]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000372682041 277000452 /nfs/dbraw/zinc/00/04/52/277000452.db2.gz QKQMNPGENRKNBT-UHFFFAOYSA-N 1 2 334.376 1.056 20 5 EDBDLO CNC(=O)C[N@H+]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000372682041 277000453 /nfs/dbraw/zinc/00/04/53/277000453.db2.gz QKQMNPGENRKNBT-UHFFFAOYSA-N 1 2 334.376 1.056 20 5 EDBDLO COC(=O)c1cc(N[C@@H](C)C[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000177543322 277423988 /nfs/dbraw/zinc/42/39/88/277423988.db2.gz OAWJOFZVFYGXSD-LBPRGKRZSA-N 1 2 337.376 1.822 20 5 EDBDLO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000286581781 288039341 /nfs/dbraw/zinc/03/93/41/288039341.db2.gz ZKZOLFRLQGAVKF-STQMWFEESA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286616690 288046614 /nfs/dbraw/zinc/04/66/14/288046614.db2.gz UQBWVFSBZGNHJQ-ZFWWWQNUSA-N 1 2 348.403 1.599 20 5 EDBDLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000289881817 288796022 /nfs/dbraw/zinc/79/60/22/288796022.db2.gz RZTBAILEULSAGU-IUIKQTSFSA-N 1 2 347.375 1.623 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000290260892 288867760 /nfs/dbraw/zinc/86/77/60/288867760.db2.gz ODKBJGFXCOYBFZ-UHFFFAOYSA-N 1 2 334.376 1.260 20 5 EDBDLO CCN(CC)c1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000290569903 288918286 /nfs/dbraw/zinc/91/82/86/288918286.db2.gz TZVMCNIFSCOEJZ-UHFFFAOYSA-N 1 2 344.375 1.942 20 5 EDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000292204629 289288809 /nfs/dbraw/zinc/28/88/09/289288809.db2.gz MBEGPJKFFCDXMK-LBPRGKRZSA-N 1 2 328.390 1.340 20 5 EDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000292204629 289288811 /nfs/dbraw/zinc/28/88/11/289288811.db2.gz MBEGPJKFFCDXMK-LBPRGKRZSA-N 1 2 328.390 1.340 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000159663424 290096667 /nfs/dbraw/zinc/09/66/67/290096667.db2.gz GYAJGIXHRRCHSO-QWHCGFSZSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000159663424 290096669 /nfs/dbraw/zinc/09/66/69/290096669.db2.gz GYAJGIXHRRCHSO-QWHCGFSZSA-N 1 2 325.752 1.403 20 5 EDBDLO COc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000192650119 295286906 /nfs/dbraw/zinc/28/69/06/295286906.db2.gz HUUYRRXWTLWUGV-OCCSQVGLSA-N 1 2 349.387 1.396 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000271082739 301013693 /nfs/dbraw/zinc/01/36/93/301013693.db2.gz YSQNHUFESLBQBB-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000271082739 301013695 /nfs/dbraw/zinc/01/36/95/301013695.db2.gz YSQNHUFESLBQBB-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000420438161 304757837 /nfs/dbraw/zinc/75/78/37/304757837.db2.gz KTAXSVYJWCLBAU-LBPRGKRZSA-N 1 2 335.332 1.056 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000293934515 303040824 /nfs/dbraw/zinc/04/08/24/303040824.db2.gz ZCWRDTKPRMQLGO-PHIMTYICSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000293934515 303040825 /nfs/dbraw/zinc/04/08/25/303040825.db2.gz ZCWRDTKPRMQLGO-PHIMTYICSA-N 1 2 343.405 1.317 20 5 EDBDLO C[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301831666 303698574 /nfs/dbraw/zinc/69/85/74/303698574.db2.gz QSULNPZLDHFLFB-SNVBAGLBSA-N 1 2 344.209 1.860 20 5 EDBDLO O=C1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cc[nH+]cc2N1 ZINC000443779765 305241272 /nfs/dbraw/zinc/24/12/72/305241272.db2.gz JVHKYDISVKKBGX-UHFFFAOYSA-N 1 2 348.340 1.278 20 5 EDBDLO COC(=O)Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000449247772 305309470 /nfs/dbraw/zinc/30/94/70/305309470.db2.gz HDCOYMDCLVUNSG-UHFFFAOYSA-N 1 2 339.739 1.303 20 5 EDBDLO COc1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC000449647479 305315572 /nfs/dbraw/zinc/31/55/72/305315572.db2.gz DMEGTRIYEDVQNG-SNVBAGLBSA-N 1 2 329.303 1.578 20 5 EDBDLO CC(C)[C@H](O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449992890 305322777 /nfs/dbraw/zinc/32/27/77/305322777.db2.gz ZSLBZBROEHMFAZ-OAHLLOKOSA-N 1 2 332.360 1.917 20 5 EDBDLO CC[C@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450091979 305324534 /nfs/dbraw/zinc/32/45/34/305324534.db2.gz YOHGEDQFMQTTQP-GFCCVEGCSA-N 1 2 332.360 1.919 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437073 305346141 /nfs/dbraw/zinc/34/61/41/305346141.db2.gz SFWBMOYKNPMHFD-CQSZACIVSA-N 1 2 329.303 1.544 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437073 305346142 /nfs/dbraw/zinc/34/61/42/305346142.db2.gz SFWBMOYKNPMHFD-CQSZACIVSA-N 1 2 329.303 1.544 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@](O)(C(F)F)C3)n2)c1 ZINC000451440394 305346324 /nfs/dbraw/zinc/34/63/24/305346324.db2.gz POQRDQALFNKXTB-AWEZNQCLSA-N 1 2 340.286 1.847 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@](O)(C(F)F)C3)n2)c1 ZINC000451440394 305346325 /nfs/dbraw/zinc/34/63/25/305346325.db2.gz POQRDQALFNKXTB-AWEZNQCLSA-N 1 2 340.286 1.847 20 5 EDBDLO Cc1nn(CCC(=O)Nc2c[nH+]c3n2CCCC3)c(C)c1[N+](=O)[O-] ZINC000452335880 305389552 /nfs/dbraw/zinc/38/95/52/305389552.db2.gz SFBUVRKWYZWGMI-UHFFFAOYSA-N 1 2 332.364 1.970 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493726009 305624146 /nfs/dbraw/zinc/62/41/46/305624146.db2.gz QPOMGFYUNOSKOX-BMWLXYDHSA-N 1 2 333.388 1.787 20 5 EDBDLO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000557093404 306223741 /nfs/dbraw/zinc/22/37/41/306223741.db2.gz NOAMRPBDIROAHO-JSGCOSHPSA-N 1 2 348.403 1.572 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(NCc3cccnc3-n3cc[nH+]c3)nn21 ZINC000377999050 447395625 /nfs/dbraw/zinc/39/56/25/447395625.db2.gz CJWVBPOMLBSQEX-UHFFFAOYSA-N 1 2 336.315 1.830 20 5 EDBDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044898623 440904761 /nfs/dbraw/zinc/90/47/61/440904761.db2.gz RHDCWVAANGRVQA-UHFFFAOYSA-N 1 2 342.783 1.630 20 5 EDBDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044898623 440904763 /nfs/dbraw/zinc/90/47/63/440904763.db2.gz RHDCWVAANGRVQA-UHFFFAOYSA-N 1 2 342.783 1.630 20 5 EDBDLO O=c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)occ1O ZINC000072665062 441248153 /nfs/dbraw/zinc/24/81/53/441248153.db2.gz VEQXZFCAWDYMAS-SNVBAGLBSA-N 1 2 332.316 1.335 20 5 EDBDLO O=c1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)occ1O ZINC000072665062 441248157 /nfs/dbraw/zinc/24/81/57/441248157.db2.gz VEQXZFCAWDYMAS-SNVBAGLBSA-N 1 2 332.316 1.335 20 5 EDBDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072989274 441283153 /nfs/dbraw/zinc/28/31/53/441283153.db2.gz LQJBJZQNXSBCPY-UHFFFAOYSA-N 1 2 347.375 1.890 20 5 EDBDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072989274 441283155 /nfs/dbraw/zinc/28/31/55/441283155.db2.gz LQJBJZQNXSBCPY-UHFFFAOYSA-N 1 2 347.375 1.890 20 5 EDBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000051401283 441409140 /nfs/dbraw/zinc/40/91/40/441409140.db2.gz MPKQKWRKEZNKOC-UHFFFAOYSA-N 1 2 334.420 1.942 20 5 EDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000066564049 441544447 /nfs/dbraw/zinc/54/44/47/441544447.db2.gz JLDDDTACKWDWKZ-CJNGLKHVSA-N 1 2 333.388 1.979 20 5 EDBDLO CC(C)C(=O)NCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033242294 441592946 /nfs/dbraw/zinc/59/29/46/441592946.db2.gz MRIDXYMEZLCTHW-UHFFFAOYSA-N 1 2 345.359 1.283 20 5 EDBDLO CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000041637480 441665478 /nfs/dbraw/zinc/66/54/78/441665478.db2.gz GEONVKIHQKAZOM-UHFFFAOYSA-N 1 2 343.343 1.311 20 5 EDBDLO CN(C)c1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000067709365 441670294 /nfs/dbraw/zinc/67/02/94/441670294.db2.gz QDOWBXNOLXSKPY-UHFFFAOYSA-N 1 2 329.360 1.784 20 5 EDBDLO O=C(NC[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055919778 441674450 /nfs/dbraw/zinc/67/44/50/441674450.db2.gz AAORCAMUEXHKCQ-GFCCVEGCSA-N 1 2 330.344 1.937 20 5 EDBDLO CN(CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000173471766 441762088 /nfs/dbraw/zinc/76/20/88/441762088.db2.gz OMMFQDTXDMEUNA-AWEZNQCLSA-N 1 2 348.403 1.010 20 5 EDBDLO CN(CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000173471766 441762094 /nfs/dbraw/zinc/76/20/94/441762094.db2.gz OMMFQDTXDMEUNA-AWEZNQCLSA-N 1 2 348.403 1.010 20 5 EDBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000092735243 441825227 /nfs/dbraw/zinc/82/52/27/441825227.db2.gz ISCBGGAESLRRSF-HNNXBMFYSA-N 1 2 331.328 1.541 20 5 EDBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000092735243 441825229 /nfs/dbraw/zinc/82/52/29/441825229.db2.gz ISCBGGAESLRRSF-HNNXBMFYSA-N 1 2 331.328 1.541 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1C ZINC000119976370 441984780 /nfs/dbraw/zinc/98/47/80/441984780.db2.gz BEEDUXLQARGKBW-UHFFFAOYSA-N 1 2 339.417 1.680 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126422816 442110171 /nfs/dbraw/zinc/11/01/71/442110171.db2.gz MIVDFNQYJZDLLB-BSNNYGBQSA-N 1 2 339.417 1.183 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126422816 442110175 /nfs/dbraw/zinc/11/01/75/442110175.db2.gz MIVDFNQYJZDLLB-BSNNYGBQSA-N 1 2 339.417 1.183 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000126858650 442148953 /nfs/dbraw/zinc/14/89/53/442148953.db2.gz RWQBNFDGECARMG-UHFFFAOYSA-N 1 2 335.389 1.197 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000163933559 442186416 /nfs/dbraw/zinc/18/64/16/442186416.db2.gz CDFDYHLQPFWCRN-UHFFFAOYSA-N 1 2 344.306 1.583 20 5 EDBDLO Cn1c[nH+]cc1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000121268988 442197522 /nfs/dbraw/zinc/19/75/22/442197522.db2.gz DOKXPSHFBZDVLS-UHFFFAOYSA-N 1 2 327.344 1.711 20 5 EDBDLO Cn1cc(N2CC[C@@H]([N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)cn1 ZINC000153128370 442263442 /nfs/dbraw/zinc/26/34/42/442263442.db2.gz YPABGJGCJCYUBQ-MRXNPFEDSA-N 1 2 341.371 1.492 20 5 EDBDLO Cn1cc(N2CC[C@@H]([N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)cn1 ZINC000153128370 442263445 /nfs/dbraw/zinc/26/34/45/442263445.db2.gz YPABGJGCJCYUBQ-MRXNPFEDSA-N 1 2 341.371 1.492 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000170869497 442280969 /nfs/dbraw/zinc/28/09/69/442280969.db2.gz YNBLINUXVJFDCJ-UHFFFAOYSA-N 1 2 325.394 1.827 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000170869497 442280971 /nfs/dbraw/zinc/28/09/71/442280971.db2.gz YNBLINUXVJFDCJ-UHFFFAOYSA-N 1 2 325.394 1.827 20 5 EDBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NC1CC1 ZINC000130179720 442340621 /nfs/dbraw/zinc/34/06/21/442340621.db2.gz OXTHIVTZLDXYTR-UHFFFAOYSA-N 1 2 332.360 1.547 20 5 EDBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NC1CC1 ZINC000130179720 442340624 /nfs/dbraw/zinc/34/06/24/442340624.db2.gz OXTHIVTZLDXYTR-UHFFFAOYSA-N 1 2 332.360 1.547 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCn2c[nH+]cc2C1 ZINC000130426700 442346654 /nfs/dbraw/zinc/34/66/54/442346654.db2.gz DYUQIODDXKUGFK-GFCCVEGCSA-N 1 2 329.360 1.582 20 5 EDBDLO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000177163836 442308332 /nfs/dbraw/zinc/30/83/32/442308332.db2.gz BHVBONPNKVUQSV-NXEZZACHSA-N 1 2 329.360 1.826 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000178160784 442412044 /nfs/dbraw/zinc/41/20/44/442412044.db2.gz CFXGQTCUYQMYMO-GFCCVEGCSA-N 1 2 333.392 1.087 20 5 EDBDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157723920 442607067 /nfs/dbraw/zinc/60/70/67/442607067.db2.gz MXWJMLATUACPHQ-ZDUSSCGKSA-N 1 2 337.376 1.661 20 5 EDBDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157723920 442607070 /nfs/dbraw/zinc/60/70/70/442607070.db2.gz MXWJMLATUACPHQ-ZDUSSCGKSA-N 1 2 337.376 1.661 20 5 EDBDLO CS(=O)(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188490044 442756108 /nfs/dbraw/zinc/75/61/08/442756108.db2.gz RGMXOFWRAJJPLE-UHFFFAOYSA-N 1 2 343.405 1.133 20 5 EDBDLO CS(=O)(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188490044 442756110 /nfs/dbraw/zinc/75/61/10/442756110.db2.gz RGMXOFWRAJJPLE-UHFFFAOYSA-N 1 2 343.405 1.133 20 5 EDBDLO COc1cc(C[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183835505 442969287 /nfs/dbraw/zinc/96/92/87/442969287.db2.gz ZXLSPVPBWJTZSY-UHFFFAOYSA-N 1 2 345.302 1.355 20 5 EDBDLO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184619774 443049758 /nfs/dbraw/zinc/04/97/58/443049758.db2.gz DANXJEVNJVNXSX-RYUDHWBXSA-N 1 2 337.376 1.530 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184580733 443043668 /nfs/dbraw/zinc/04/36/68/443043668.db2.gz FIFBSIZUVICDDE-LBPRGKRZSA-N 1 2 342.783 1.378 20 5 EDBDLO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184580733 443043673 /nfs/dbraw/zinc/04/36/73/443043673.db2.gz FIFBSIZUVICDDE-LBPRGKRZSA-N 1 2 342.783 1.378 20 5 EDBDLO Nc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] 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320460758 /nfs/dbraw/zinc/46/07/58/320460758.db2.gz WSOJOJKVTKFABK-UHFFFAOYSA-N 1 2 345.359 1.780 20 5 EDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000280502094 443731594 /nfs/dbraw/zinc/73/15/94/443731594.db2.gz QWPMPNOSEVJVPG-MEDUHNTESA-N 1 2 335.360 1.074 20 5 EDBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000280502094 443731597 /nfs/dbraw/zinc/73/15/97/443731597.db2.gz QWPMPNOSEVJVPG-MEDUHNTESA-N 1 2 335.360 1.074 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276533499 443737434 /nfs/dbraw/zinc/73/74/34/443737434.db2.gz CFNCTVYPMHNBJJ-UHFFFAOYSA-N 1 2 343.387 1.719 20 5 EDBDLO Cc1ccc([C@@H](C)N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1[N+](=O)[O-] ZINC000288115903 443776195 /nfs/dbraw/zinc/77/61/95/443776195.db2.gz BKXPXMUUFMOZDP-MFKMUULPSA-N 1 2 343.343 1.850 20 5 EDBDLO Cc1ccc([C@@H](C)N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1[N+](=O)[O-] ZINC000288115903 443776197 /nfs/dbraw/zinc/77/61/97/443776197.db2.gz 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CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000285383076 443963101 /nfs/dbraw/zinc/96/31/01/443963101.db2.gz NLQNJSQKPXMDKW-OAHLLOKOSA-N 1 2 346.391 1.673 20 5 EDBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCNC1=O ZINC000281927998 444041851 /nfs/dbraw/zinc/04/18/51/444041851.db2.gz SGHLOIIBWOOESB-GFCCVEGCSA-N 1 2 331.332 1.355 20 5 EDBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCNC1=O ZINC000281927998 444041855 /nfs/dbraw/zinc/04/18/55/444041855.db2.gz SGHLOIIBWOOESB-GFCCVEGCSA-N 1 2 331.332 1.355 20 5 EDBDLO O=C1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000568780500 321306670 /nfs/dbraw/zinc/30/66/70/321306670.db2.gz XFOPUSXEVIQSGT-HNNXBMFYSA-N 1 2 334.372 1.922 20 5 EDBDLO O=C1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000568780500 321306672 /nfs/dbraw/zinc/30/66/72/321306672.db2.gz XFOPUSXEVIQSGT-HNNXBMFYSA-N 1 2 334.372 1.922 20 5 EDBDLO CS(=O)(=O)c1cccc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000302478381 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1.410 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339128985 445046759 /nfs/dbraw/zinc/04/67/59/445046759.db2.gz MSEXGTMGDTZKGP-CHWSQXEVSA-N 1 2 343.405 1.250 20 5 EDBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000343268637 445170299 /nfs/dbraw/zinc/17/02/99/445170299.db2.gz XUDGSGVBEZPUAY-UHFFFAOYSA-N 1 2 331.332 1.022 20 5 EDBDLO CC[N@@H+]1C[C@@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345168104 445171459 /nfs/dbraw/zinc/17/14/59/445171459.db2.gz YMXYUNKVYLLFOS-NWDGAFQWSA-N 1 2 341.433 1.917 20 5 EDBDLO CC[N@H+]1C[C@@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345168104 445171462 /nfs/dbraw/zinc/17/14/62/445171462.db2.gz YMXYUNKVYLLFOS-NWDGAFQWSA-N 1 2 341.433 1.917 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000354604913 445311133 /nfs/dbraw/zinc/31/11/33/445311133.db2.gz SODORRYYKMFQIV-UHFFFAOYSA-N 1 2 332.364 1.847 20 5 EDBDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354678772 445337451 /nfs/dbraw/zinc/33/74/51/445337451.db2.gz VCDZXWOFTIUBGT-TZMCWYRMSA-N 1 2 348.403 1.912 20 5 EDBDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354678772 445337454 /nfs/dbraw/zinc/33/74/54/445337454.db2.gz VCDZXWOFTIUBGT-TZMCWYRMSA-N 1 2 348.403 1.912 20 5 EDBDLO Cc1cc(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000359658997 445361425 /nfs/dbraw/zinc/36/14/25/445361425.db2.gz FZJVXQRQXGELCP-ZIAGYGMSSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1cc(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000359658997 445361429 /nfs/dbraw/zinc/36/14/29/445361429.db2.gz FZJVXQRQXGELCP-ZIAGYGMSSA-N 1 2 348.382 2.056 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979982 445414966 /nfs/dbraw/zinc/41/49/66/445414966.db2.gz ATCCIGPAYCNLCO-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979982 445414971 /nfs/dbraw/zinc/41/49/71/445414971.db2.gz ATCCIGPAYCNLCO-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979982 445414976 /nfs/dbraw/zinc/41/49/76/445414976.db2.gz ATCCIGPAYCNLCO-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979982 445414980 /nfs/dbraw/zinc/41/49/80/445414980.db2.gz ATCCIGPAYCNLCO-KGLIPLIRSA-N 1 2 345.359 1.160 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000353146453 445577382 /nfs/dbraw/zinc/57/73/82/445577382.db2.gz XVSAAKACADTPEC-RISCZKNCSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1cc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000353146453 445577386 /nfs/dbraw/zinc/57/73/86/445577386.db2.gz XVSAAKACADTPEC-RISCZKNCSA-N 1 2 326.374 1.222 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] 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C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596428777 449498413 /nfs/dbraw/zinc/49/84/13/449498413.db2.gz HVORDJQNNKDPAA-MNOVXSKESA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596428777 449498416 /nfs/dbraw/zinc/49/84/16/449498416.db2.gz HVORDJQNNKDPAA-MNOVXSKESA-N 1 2 347.375 1.765 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594666826 449615682 /nfs/dbraw/zinc/61/56/82/449615682.db2.gz HWJNKFZJACLRQE-AWEZNQCLSA-N 1 2 333.388 1.840 20 5 EDBDLO CCNc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000598872188 449626526 /nfs/dbraw/zinc/62/65/26/449626526.db2.gz WCDWLINPWSOQRW-AWEZNQCLSA-N 1 2 348.403 1.573 20 5 EDBDLO CCn1nncc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599062426 449713886 /nfs/dbraw/zinc/71/38/86/449713886.db2.gz PVAOKMAYGBZFQZ-OAHLLOKOSA-N 1 2 341.375 1.819 20 5 EDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601176413 449734392 /nfs/dbraw/zinc/73/43/92/449734392.db2.gz HKXKLPNCKJFPNT-NSHDSACASA-N 1 2 349.309 1.719 20 5 EDBDLO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCOCC1 ZINC000601104367 449692683 /nfs/dbraw/zinc/69/26/83/449692683.db2.gz ULZKLASMLXCWGV-MRVPVSSYSA-N 1 2 337.302 1.480 20 5 EDBDLO Cc1cc(CN2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)on1 ZINC000602758069 449787732 /nfs/dbraw/zinc/78/77/32/449787732.db2.gz IYKDUTCSHUTHJZ-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO Cc1cc(C[NH+]2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)on1 ZINC000602758069 449787739 /nfs/dbraw/zinc/78/77/39/449787739.db2.gz IYKDUTCSHUTHJZ-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000602801720 449820879 /nfs/dbraw/zinc/82/08/79/449820879.db2.gz MPWIAIZBYDHLIK-UHFFFAOYSA-N 1 2 335.408 1.433 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000602801720 449820889 /nfs/dbraw/zinc/82/08/89/449820889.db2.gz MPWIAIZBYDHLIK-UHFFFAOYSA-N 1 2 335.408 1.433 20 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COC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(OC)cc(C)[nH+]2)c1=O ZINC000270168764 140054275 /nfs/dbraw/zinc/05/42/75/140054275.db2.gz WAIRRNKNCXTOJW-UHFFFAOYSA-N 1 2 333.300 1.303 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000332255702 141147790 /nfs/dbraw/zinc/14/77/90/141147790.db2.gz ACPYXIKTBHXIER-NEPJUHHUSA-N 1 2 337.376 1.899 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000332255702 141147791 /nfs/dbraw/zinc/14/77/91/141147791.db2.gz ACPYXIKTBHXIER-NEPJUHHUSA-N 1 2 337.376 1.899 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000344859977 143020645 /nfs/dbraw/zinc/02/06/45/143020645.db2.gz CCGJQJRKYJUZPN-RYUDHWBXSA-N 1 2 342.323 1.051 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000344859977 143020646 /nfs/dbraw/zinc/02/06/46/143020646.db2.gz CCGJQJRKYJUZPN-RYUDHWBXSA-N 1 2 342.323 1.051 20 5 EDBDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346282691 143186586 /nfs/dbraw/zinc/18/65/86/143186586.db2.gz YKIDYPFOQLEDNI-LLVKDONJSA-N 1 2 331.332 1.714 20 5 EDBDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346282691 143186587 /nfs/dbraw/zinc/18/65/87/143186587.db2.gz YKIDYPFOQLEDNI-LLVKDONJSA-N 1 2 331.332 1.714 20 5 EDBDLO C[C@@](CO)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000347721690 143354382 /nfs/dbraw/zinc/35/43/82/143354382.db2.gz QJZKARIZELPXRX-KRWDZBQOSA-N 1 2 345.355 1.397 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354875643 150006907 /nfs/dbraw/zinc/00/69/07/150006907.db2.gz AJKSCPGLYKAKSP-AWEZNQCLSA-N 1 2 349.387 1.139 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354875643 150006909 /nfs/dbraw/zinc/00/69/09/150006909.db2.gz AJKSCPGLYKAKSP-AWEZNQCLSA-N 1 2 349.387 1.139 20 5 EDBDLO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000355328893 150220004 /nfs/dbraw/zinc/22/00/04/150220004.db2.gz 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COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000364497637 153253022 /nfs/dbraw/zinc/25/30/22/153253022.db2.gz ZNQDTQBGVVZSBK-LLVKDONJSA-N 1 2 346.347 1.080 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000364497637 153253026 /nfs/dbraw/zinc/25/30/26/153253026.db2.gz ZNQDTQBGVVZSBK-LLVKDONJSA-N 1 2 346.347 1.080 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000367120963 154015409 /nfs/dbraw/zinc/01/54/09/154015409.db2.gz KLOOBUWTMFHJJS-SECBINFHSA-N 1 2 333.323 1.820 20 5 EDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000374338136 157251211 /nfs/dbraw/zinc/25/12/11/157251211.db2.gz RVQFPDQXTCRXOE-LBPRGKRZSA-N 1 2 331.328 1.983 20 5 EDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378518382 158197856 /nfs/dbraw/zinc/19/78/56/158197856.db2.gz RVJMUKDFZWEOSC-ZDUSSCGKSA-N 1 2 343.343 1.411 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079723264 287302866 /nfs/dbraw/zinc/30/28/66/287302866.db2.gz KFIPCUMTUXSPMC-UHFFFAOYSA-N 1 2 332.364 1.614 20 5 EDBDLO CC[C@H](C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000273338060 268029407 /nfs/dbraw/zinc/02/94/07/268029407.db2.gz VWMYTBBIPVGDBG-WHOFXGATSA-N 1 2 340.376 1.512 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000274703944 268188397 /nfs/dbraw/zinc/18/83/97/268188397.db2.gz OMBQOYLQQQBNDR-LLVKDONJSA-N 1 2 338.364 1.446 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046480534 272912535 /nfs/dbraw/zinc/91/25/35/272912535.db2.gz LQWIVXSUVNIFJG-ZDUSSCGKSA-N 1 2 336.392 1.457 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000281684733 273512543 /nfs/dbraw/zinc/51/25/43/273512543.db2.gz FOGGXCDROGKHJS-JBEBIEQOSA-N 1 2 348.428 1.918 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284034100 274055398 /nfs/dbraw/zinc/05/53/98/274055398.db2.gz JWKDEYYWWFFQTB-CVEARBPZSA-N 1 2 348.403 1.328 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284034100 274055399 /nfs/dbraw/zinc/05/53/99/274055399.db2.gz JWKDEYYWWFFQTB-CVEARBPZSA-N 1 2 348.403 1.328 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284476376 274216043 /nfs/dbraw/zinc/21/60/43/274216043.db2.gz MCRFUXMKTYVDLY-HOTGVXAUSA-N 1 2 349.387 1.539 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284476376 274216046 /nfs/dbraw/zinc/21/60/46/274216046.db2.gz MCRFUXMKTYVDLY-HOTGVXAUSA-N 1 2 349.387 1.539 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000287319635 288208804 /nfs/dbraw/zinc/20/88/04/288208804.db2.gz MCSUEWLQFNUDTQ-DGCLKSJQSA-N 1 2 334.376 1.112 20 5 EDBDLO COCC[C@@H]1COCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000291118010 289003797 /nfs/dbraw/zinc/00/37/97/289003797.db2.gz AQGHVKYFWSMQEU-CYBMUJFWSA-N 1 2 340.376 1.720 20 5 EDBDLO COCC[C@@H]1COCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000291118010 289003799 /nfs/dbraw/zinc/00/37/99/289003799.db2.gz AQGHVKYFWSMQEU-CYBMUJFWSA-N 1 2 340.376 1.720 20 5 EDBDLO CC(C)(CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[N+](=O)[O-] ZINC000294477681 303113305 /nfs/dbraw/zinc/11/33/05/303113305.db2.gz QNPUMLJIDSYUPZ-MRXNPFEDSA-N 1 2 349.431 1.839 20 5 EDBDLO CC(C)(CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[N+](=O)[O-] ZINC000294477681 303113306 /nfs/dbraw/zinc/11/33/06/303113306.db2.gz QNPUMLJIDSYUPZ-MRXNPFEDSA-N 1 2 349.431 1.839 20 5 EDBDLO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH+](C2CC2)CC1 ZINC000299338935 303609735 /nfs/dbraw/zinc/60/97/35/303609735.db2.gz JYYBUTWVFXGPRM-UHFFFAOYSA-N 1 2 341.371 1.701 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000432906482 305097533 /nfs/dbraw/zinc/09/75/33/305097533.db2.gz WWBXIZSDSUVHFW-CJNGLKHVSA-N 1 2 344.371 1.907 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000433438019 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346.391 1.159 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000420433996 319618451 /nfs/dbraw/zinc/61/84/51/319618451.db2.gz DMGRJJHSUSVKLL-ZDUSSCGKSA-N 1 2 331.369 1.225 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000278664623 443395199 /nfs/dbraw/zinc/39/51/99/443395199.db2.gz OFZRTQGVCVNSMD-CQSZACIVSA-N 1 2 343.387 1.766 20 5 EDBDLO CCOC(=O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000272975115 443508087 /nfs/dbraw/zinc/50/80/87/443508087.db2.gz CCFKSRYTDYCFMR-CYBMUJFWSA-N 1 2 338.360 1.362 20 5 EDBDLO CCOC(=O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000272975115 443508090 /nfs/dbraw/zinc/50/80/90/443508090.db2.gz CCFKSRYTDYCFMR-CYBMUJFWSA-N 1 2 338.360 1.362 20 5 EDBDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000283081989 443516355 /nfs/dbraw/zinc/51/63/55/443516355.db2.gz QOECTANNXPWCOG-BMIGLBTASA-N 1 2 345.359 1.243 20 5 EDBDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000283081989 443516358 /nfs/dbraw/zinc/51/63/58/443516358.db2.gz QOECTANNXPWCOG-BMIGLBTASA-N 1 2 345.359 1.243 20 5 EDBDLO CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccc[nH+]c21 ZINC000443741635 320111346 /nfs/dbraw/zinc/11/13/46/320111346.db2.gz FHJBQYFRMNXCKZ-UHFFFAOYSA-N 1 2 348.384 1.776 20 5 EDBDLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459833231 320350329 /nfs/dbraw/zinc/35/03/29/320350329.db2.gz UTBGQKSBDNRQPD-TVYUQYBPSA-N 1 2 334.332 1.709 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000283680758 443688709 /nfs/dbraw/zinc/68/87/09/443688709.db2.gz WAXXLVWOVWAVDZ-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO COC(=O)c1cc(C)nc(N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000286403312 443707623 /nfs/dbraw/zinc/70/76/23/443707623.db2.gz ZSPSDJQSFOCXKV-UHFFFAOYSA-N 1 2 333.348 1.808 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)c(Br)c1 ZINC000517449199 320449493 /nfs/dbraw/zinc/44/94/93/320449493.db2.gz SGPUZJMKTLTJTC-UHFFFAOYSA-N 1 2 347.150 1.881 20 5 EDBDLO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)C(N)=O ZINC000292994051 443898639 /nfs/dbraw/zinc/89/86/39/443898639.db2.gz GEPVRPFDYOPAGK-SECBINFHSA-N 1 2 349.309 1.936 20 5 EDBDLO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)C(N)=O ZINC000292994051 443898643 /nfs/dbraw/zinc/89/86/43/443898643.db2.gz GEPVRPFDYOPAGK-SECBINFHSA-N 1 2 349.309 1.936 20 5 EDBDLO COC(=O)c1cnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000276905808 443869619 /nfs/dbraw/zinc/86/96/19/443869619.db2.gz OEGFNGCFGOSTKT-GHMZBOCLSA-N 1 2 338.364 1.298 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000285272993 443920846 /nfs/dbraw/zinc/92/08/46/443920846.db2.gz ITDSGWMRPJZBNO-SNVBAGLBSA-N 1 2 331.369 1.449 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000285272993 443920849 /nfs/dbraw/zinc/92/08/49/443920849.db2.gz ITDSGWMRPJZBNO-SNVBAGLBSA-N 1 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ZINC000289840176 444210017 /nfs/dbraw/zinc/21/00/17/444210017.db2.gz PQAIDAYPQFAFJZ-AWEZNQCLSA-N 1 2 335.408 1.525 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000289840176 444210019 /nfs/dbraw/zinc/21/00/19/444210019.db2.gz PQAIDAYPQFAFJZ-AWEZNQCLSA-N 1 2 335.408 1.525 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289695793 444191672 /nfs/dbraw/zinc/19/16/72/444191672.db2.gz VZHMWNWINGMNPN-UHFFFAOYSA-N 1 2 326.309 1.135 20 5 EDBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000290663421 444307814 /nfs/dbraw/zinc/30/78/14/444307814.db2.gz ZVCXEGPSUOBEPV-OAHLLOKOSA-N 1 2 342.417 1.539 20 5 EDBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000290663421 444307817 /nfs/dbraw/zinc/30/78/17/444307817.db2.gz ZVCXEGPSUOBEPV-OAHLLOKOSA-N 1 2 342.417 1.539 20 5 EDBDLO CNc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000324983820 444360898 /nfs/dbraw/zinc/36/08/98/444360898.db2.gz SFMNPCVRNVMIGV-ZDUSSCGKSA-N 1 2 334.376 1.183 20 5 EDBDLO COc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000331075570 444384493 /nfs/dbraw/zinc/38/44/93/444384493.db2.gz VILMTXOFHACDHS-GFCCVEGCSA-N 1 2 335.360 1.150 20 5 EDBDLO CN(C)c1n[nH]c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000340836105 444534355 /nfs/dbraw/zinc/53/43/55/444534355.db2.gz AWBQAXANLKQRMC-UHFFFAOYSA-N 1 2 342.319 1.217 20 5 EDBDLO COc1cc(C[N@@H+]2CCc3c(ncn(C)c3=O)C2)ccc1[N+](=O)[O-] ZINC000343919156 444668515 /nfs/dbraw/zinc/66/85/15/444668515.db2.gz HLSZBLHZWFRXKL-UHFFFAOYSA-N 1 2 330.344 1.255 20 5 EDBDLO COc1cc(C[N@H+]2CCc3c(ncn(C)c3=O)C2)ccc1[N+](=O)[O-] ZINC000343919156 444668517 /nfs/dbraw/zinc/66/85/17/444668517.db2.gz HLSZBLHZWFRXKL-UHFFFAOYSA-N 1 2 330.344 1.255 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000342500847 444718794 /nfs/dbraw/zinc/71/87/94/444718794.db2.gz DEGIFRVCLNUMFO-SCZZXKLOSA-N 1 2 333.435 1.726 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000342500847 444718798 /nfs/dbraw/zinc/71/87/98/444718798.db2.gz DEGIFRVCLNUMFO-SCZZXKLOSA-N 1 2 333.435 1.726 20 5 EDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330629794 445069860 /nfs/dbraw/zinc/06/98/60/445069860.db2.gz BNYIALDYMDGNLM-NEPJUHHUSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330629794 445069863 /nfs/dbraw/zinc/06/98/63/445069863.db2.gz BNYIALDYMDGNLM-NEPJUHHUSA-N 1 2 327.406 1.449 20 5 EDBDLO CC[N@@H+]1C[C@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345168101 445171259 /nfs/dbraw/zinc/17/12/59/445171259.db2.gz YMXYUNKVYLLFOS-NEPJUHHUSA-N 1 2 341.433 1.917 20 5 EDBDLO CC[N@H+]1C[C@H](C)N(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345168101 445171263 /nfs/dbraw/zinc/17/12/63/445171263.db2.gz YMXYUNKVYLLFOS-NEPJUHHUSA-N 1 2 341.433 1.917 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343280938 445176462 /nfs/dbraw/zinc/17/64/62/445176462.db2.gz VSPUCGLQVLLNQJ-LBPRGKRZSA-N 1 2 340.343 1.796 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000357043784 445391437 /nfs/dbraw/zinc/39/14/37/445391437.db2.gz SHDAASWPCXUEBV-UHFFFAOYSA-N 1 2 331.332 1.254 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360011949 445528086 /nfs/dbraw/zinc/52/80/86/445528086.db2.gz ZGAMFWAKPDWSLV-UHFFFAOYSA-N 1 2 340.343 1.684 20 5 EDBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH2+]1 ZINC000355810109 445490209 /nfs/dbraw/zinc/49/02/09/445490209.db2.gz XEVIIXSWEPIISP-GFCCVEGCSA-N 1 2 331.332 1.113 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000362682909 445498275 /nfs/dbraw/zinc/49/82/75/445498275.db2.gz IBPWNGKRFVHLQA-GFCCVEGCSA-N 1 2 338.364 1.299 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000362682909 445498279 /nfs/dbraw/zinc/49/82/79/445498279.db2.gz IBPWNGKRFVHLQA-GFCCVEGCSA-N 1 2 338.364 1.299 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363105222 445680048 /nfs/dbraw/zinc/68/00/48/445680048.db2.gz ULSHIOZNUBBIKR-NWDGAFQWSA-N 1 2 345.359 1.064 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363105222 445680051 /nfs/dbraw/zinc/68/00/51/445680051.db2.gz ULSHIOZNUBBIKR-NWDGAFQWSA-N 1 2 345.359 1.064 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000363432455 445800596 /nfs/dbraw/zinc/80/05/96/445800596.db2.gz KHAWATGMMZUELP-LBPRGKRZSA-N 1 2 330.344 1.723 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366071254 445994011 /nfs/dbraw/zinc/99/40/11/445994011.db2.gz DTOPMLUANBOJLL-AWEZNQCLSA-N 1 2 348.403 1.208 20 5 EDBDLO CN1CC[NH+](C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)CC1 ZINC000365148132 446054263 /nfs/dbraw/zinc/05/42/63/446054263.db2.gz ZXPQEPBOMMXQRW-AWEZNQCLSA-N 1 2 338.383 1.187 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000365271818 446117262 /nfs/dbraw/zinc/11/72/62/446117262.db2.gz DAWRJYQHUMUITE-UHFFFAOYSA-N 1 2 345.359 1.605 20 5 EDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354409497 446185480 /nfs/dbraw/zinc/18/54/80/446185480.db2.gz SOPZCYJPBBKTIT-UHFFFAOYSA-N 1 2 344.375 1.074 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000370372891 446251587 /nfs/dbraw/zinc/25/15/87/446251587.db2.gz FTWROJNSXDNLGK-QGZVFWFLSA-N 1 2 346.431 1.690 20 5 EDBDLO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000359577198 446301005 /nfs/dbraw/zinc/30/10/05/446301005.db2.gz AHKHHQOIAJUSNK-KGLIPLIRSA-N 1 2 337.424 1.667 20 5 EDBDLO Cc1cc(OCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000373753263 446325461 /nfs/dbraw/zinc/32/54/61/446325461.db2.gz QWISDPJMTGUCAI-LLVKDONJSA-N 1 2 330.344 1.679 20 5 EDBDLO Cc1cc(OCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000373753263 446325462 /nfs/dbraw/zinc/32/54/62/446325462.db2.gz QWISDPJMTGUCAI-LLVKDONJSA-N 1 2 330.344 1.679 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000370961857 446543428 /nfs/dbraw/zinc/54/34/28/446543428.db2.gz LPGYTEWIBGSKKR-UHFFFAOYSA-N 1 2 332.364 1.740 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000370961857 446543434 /nfs/dbraw/zinc/54/34/34/446543434.db2.gz LPGYTEWIBGSKKR-UHFFFAOYSA-N 1 2 332.364 1.740 20 5 EDBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(N)nc(N(C)C)n1 ZINC000411456584 446553813 /nfs/dbraw/zinc/55/38/13/446553813.db2.gz MNAFXDNJCFKSHJ-VHSXEESVSA-N 1 2 331.380 1.840 20 5 EDBDLO Cc1nn(C)c(N2CCC[N@@H+](Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000371035552 446589757 /nfs/dbraw/zinc/58/97/57/446589757.db2.gz GLPPVPDOMHBCNH-UHFFFAOYSA-N 1 2 333.396 1.083 20 5 EDBDLO Cc1nn(C)c(N2CCC[N@H+](Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000371035552 446589763 /nfs/dbraw/zinc/58/97/63/446589763.db2.gz GLPPVPDOMHBCNH-UHFFFAOYSA-N 1 2 333.396 1.083 20 5 EDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368193768 446698931 /nfs/dbraw/zinc/69/89/31/446698931.db2.gz FNGCSCPLFKYIHF-GFCCVEGCSA-N 1 2 329.360 1.717 20 5 EDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368193768 446698936 /nfs/dbraw/zinc/69/89/36/446698936.db2.gz FNGCSCPLFKYIHF-GFCCVEGCSA-N 1 2 329.360 1.717 20 5 EDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCn2c[nH+]cc2C1 ZINC000368164638 446679504 /nfs/dbraw/zinc/67/95/04/446679504.db2.gz OPBZQVFARKWDAG-UHFFFAOYSA-N 1 2 349.734 1.426 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453852893 446684226 /nfs/dbraw/zinc/68/42/26/446684226.db2.gz DMEOVTIGOIDKCJ-UHFFFAOYSA-N 1 2 345.359 1.683 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc3ncc([N+](=O)[O-])n3n1)CCC2 ZINC000371339894 446788962 /nfs/dbraw/zinc/78/89/62/446788962.db2.gz YSLGLMMGKJTCJN-LLVKDONJSA-N 1 2 327.348 2.132 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412032021 446793678 /nfs/dbraw/zinc/79/36/78/446793678.db2.gz HBKYWRYOTJYCDE-NWDGAFQWSA-N 1 2 337.376 1.635 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412032021 446793684 /nfs/dbraw/zinc/79/36/84/446793684.db2.gz HBKYWRYOTJYCDE-NWDGAFQWSA-N 1 2 337.376 1.635 20 5 EDBDLO Cc1nnc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)[nH]1 ZINC000412047040 446809477 /nfs/dbraw/zinc/80/94/77/446809477.db2.gz UFRZKNVZHJPNQA-JTQLQIEISA-N 1 2 327.348 1.887 20 5 EDBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)[nH]1 ZINC000412047040 446809481 /nfs/dbraw/zinc/80/94/81/446809481.db2.gz UFRZKNVZHJPNQA-JTQLQIEISA-N 1 2 327.348 1.887 20 5 EDBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000412047040 446809486 /nfs/dbraw/zinc/80/94/86/446809486.db2.gz UFRZKNVZHJPNQA-JTQLQIEISA-N 1 2 327.348 1.887 20 5 EDBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000412047040 446809489 /nfs/dbraw/zinc/80/94/89/446809489.db2.gz UFRZKNVZHJPNQA-JTQLQIEISA-N 1 2 327.348 1.887 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1C ZINC000375458099 446813295 /nfs/dbraw/zinc/81/32/95/446813295.db2.gz OCBNNPTYDARIMQ-NSHDSACASA-N 1 2 330.344 1.922 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1C ZINC000375458099 446813299 /nfs/dbraw/zinc/81/32/99/446813299.db2.gz OCBNNPTYDARIMQ-NSHDSACASA-N 1 2 330.344 1.922 20 5 EDBDLO C[C@](O)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000440207619 446839133 /nfs/dbraw/zinc/83/91/33/446839133.db2.gz MZNURAZQCALOQI-INIZCTEOSA-N 1 2 330.344 1.671 20 5 EDBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCc2[nH+]ccn2C1 ZINC000368413855 446846858 /nfs/dbraw/zinc/84/68/58/446846858.db2.gz XTSWEMSWTSVHEC-VIFPVBQESA-N 1 2 326.316 1.869 20 5 EDBDLO Cc1c(NC(=O)C(=O)N2CCc3c([nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000375978897 447188494 /nfs/dbraw/zinc/18/84/94/447188494.db2.gz ASLXMIFEOAHKMR-UHFFFAOYSA-N 1 2 343.343 1.160 20 5 EDBDLO COCC(COC)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000413480964 447194053 /nfs/dbraw/zinc/19/40/53/447194053.db2.gz SFWAHKKDZNVPQM-UHFFFAOYSA-N 1 2 327.356 1.517 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000446049141 447218411 /nfs/dbraw/zinc/21/84/11/447218411.db2.gz YLLFEAPQQQXJMH-UHFFFAOYSA-N 1 2 329.360 1.584 20 5 EDBDLO NC(=O)[C@@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450924163 447620096 /nfs/dbraw/zinc/62/00/96/447620096.db2.gz LKKSNWVYOMVQCQ-KGLIPLIRSA-N 1 2 348.403 1.493 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000408084026 447627459 /nfs/dbraw/zinc/62/74/59/447627459.db2.gz MDCLRYBPJGHAFC-RYUDHWBXSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408084026 447627462 /nfs/dbraw/zinc/62/74/62/447627462.db2.gz MDCLRYBPJGHAFC-RYUDHWBXSA-N 1 2 341.433 1.870 20 5 EDBDLO COC(=O)NCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000497101630 447855514 /nfs/dbraw/zinc/85/55/14/447855514.db2.gz LKJAGUXXQBRMBE-UHFFFAOYSA-N 1 2 338.364 1.195 20 5 EDBDLO CNc1nccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000569941247 447924188 /nfs/dbraw/zinc/92/41/88/447924188.db2.gz QHYCPDYPKNCFSY-GFCCVEGCSA-N 1 2 343.343 1.720 20 5 EDBDLO Cn1c2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2[nH+]c1C1CC1 ZINC000514797579 448205442 /nfs/dbraw/zinc/20/54/42/448205442.db2.gz AKOWLTVCQBJKTL-UHFFFAOYSA-N 1 2 339.359 1.765 20 5 EDBDLO COC(=O)c1cc(NCC[N@@H+]2CCO[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000582879997 448363853 /nfs/dbraw/zinc/36/38/53/448363853.db2.gz XEICXBSQYFJPPM-LBPRGKRZSA-N 1 2 337.376 1.822 20 5 EDBDLO COC(=O)c1cc(NCC[N@H+]2CCO[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000582879997 448363858 /nfs/dbraw/zinc/36/38/58/448363858.db2.gz XEICXBSQYFJPPM-LBPRGKRZSA-N 1 2 337.376 1.822 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000572718066 448446022 /nfs/dbraw/zinc/44/60/22/448446022.db2.gz UTJYGYZNFOORCP-LLVKDONJSA-N 1 2 342.808 1.925 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000572718066 448446031 /nfs/dbraw/zinc/44/60/31/448446031.db2.gz UTJYGYZNFOORCP-LLVKDONJSA-N 1 2 342.808 1.925 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000517215894 448552357 /nfs/dbraw/zinc/55/23/57/448552357.db2.gz DWQBHTZVJWQLRL-SNVBAGLBSA-N 1 2 341.339 1.193 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000517215894 448552361 /nfs/dbraw/zinc/55/23/61/448552361.db2.gz DWQBHTZVJWQLRL-SNVBAGLBSA-N 1 2 341.339 1.193 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000592040653 448644078 /nfs/dbraw/zinc/64/40/78/448644078.db2.gz VQNALKLXEKQZTH-RYUDHWBXSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000592040653 448644083 /nfs/dbraw/zinc/64/40/83/448644083.db2.gz VQNALKLXEKQZTH-RYUDHWBXSA-N 1 2 341.433 1.870 20 5 EDBDLO CNc1nccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000517959747 448634883 /nfs/dbraw/zinc/63/48/83/448634883.db2.gz LGAQFNRDXMZDFP-NSHDSACASA-N 1 2 330.348 2.122 20 5 EDBDLO CCOc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587035956 448833584 /nfs/dbraw/zinc/83/35/84/448833584.db2.gz CEEVCCQBLGZHKZ-GFCCVEGCSA-N 1 2 330.344 1.935 20 5 EDBDLO Cn1ncc2c1nc(N)[nH+]c2N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580963018 448962442 /nfs/dbraw/zinc/96/24/42/448962442.db2.gz NAWMBGRLPJDCPN-UHFFFAOYSA-N 1 2 325.332 1.416 20 5 EDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597862099 449127562 /nfs/dbraw/zinc/12/75/62/449127562.db2.gz GFCZIXVHKRJLNP-NSHDSACASA-N 1 2 347.331 1.174 20 5 EDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597862099 449127566 /nfs/dbraw/zinc/12/75/66/449127566.db2.gz GFCZIXVHKRJLNP-NSHDSACASA-N 1 2 347.331 1.174 20 5 EDBDLO C[C@]1(C2CC2)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000595626518 449087981 /nfs/dbraw/zinc/08/79/81/449087981.db2.gz RQDZCNFBNIHMPD-GOSISDBHSA-N 1 2 345.399 1.985 20 5 EDBDLO C[C@]1(C2CC2)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000595626518 449087982 /nfs/dbraw/zinc/08/79/82/449087982.db2.gz RQDZCNFBNIHMPD-GOSISDBHSA-N 1 2 345.399 1.985 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611083625 449161803 /nfs/dbraw/zinc/16/18/03/449161803.db2.gz PLYWSQOPKONBBY-JTQLQIEISA-N 1 2 347.824 1.963 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611083625 449161808 /nfs/dbraw/zinc/16/18/08/449161808.db2.gz PLYWSQOPKONBBY-JTQLQIEISA-N 1 2 347.824 1.963 20 5 EDBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1COCCO1 ZINC000595743178 449142577 /nfs/dbraw/zinc/14/25/77/449142577.db2.gz QUAGPMZOGFEITG-ZDUSSCGKSA-N 1 2 334.332 1.492 20 5 EDBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1COCCO1 ZINC000595743178 449142579 /nfs/dbraw/zinc/14/25/79/449142579.db2.gz QUAGPMZOGFEITG-ZDUSSCGKSA-N 1 2 334.332 1.492 20 5 EDBDLO COC(=O)c1c(Cl)c(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000590569769 449196152 /nfs/dbraw/zinc/19/61/52/449196152.db2.gz PHEIWZPDGUEVBE-UHFFFAOYSA-N 1 2 343.767 1.149 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611256857 449240374 /nfs/dbraw/zinc/24/03/74/449240374.db2.gz VMKPNGDYWOPYBH-GHMZBOCLSA-N 1 2 327.406 1.527 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611256857 449240381 /nfs/dbraw/zinc/24/03/81/449240381.db2.gz VMKPNGDYWOPYBH-GHMZBOCLSA-N 1 2 327.406 1.527 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](CCOC)CC2(C)C)c1[N+](=O)[O-] ZINC000593874379 449254789 /nfs/dbraw/zinc/25/47/89/449254789.db2.gz BSIDHYKPTLDSTC-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](CCOC)CC2(C)C)c1[N+](=O)[O-] ZINC000593874379 449254793 /nfs/dbraw/zinc/25/47/93/449254793.db2.gz BSIDHYKPTLDSTC-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](CCOC)CC2(C)C)c1[N+](=O)[O-] ZINC000593874379 449254798 /nfs/dbraw/zinc/25/47/98/449254798.db2.gz BSIDHYKPTLDSTC-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](CCOC)CC2(C)C)c1[N+](=O)[O-] ZINC000593874379 449254802 /nfs/dbraw/zinc/25/48/02/449254802.db2.gz BSIDHYKPTLDSTC-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO O=C(NC[C@H](O)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600239966 449262429 /nfs/dbraw/zinc/26/24/29/449262429.db2.gz XWEBMQZYTLSRIQ-LSDHHAIUSA-N 1 2 346.343 1.050 20 5 EDBDLO Cc1[nH]c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000600160387 449222079 /nfs/dbraw/zinc/22/20/79/449222079.db2.gz CAWXVHMATHQUFF-UHFFFAOYSA-N 1 2 343.387 1.893 20 5 EDBDLO CNc1cc2c(nn1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000611516014 449317149 /nfs/dbraw/zinc/31/71/49/449317149.db2.gz ZUSURINDTJUDSD-UHFFFAOYSA-N 1 2 329.360 1.993 20 5 EDBDLO CNc1cc2c(nn1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000611516014 449317157 /nfs/dbraw/zinc/31/71/57/449317157.db2.gz ZUSURINDTJUDSD-UHFFFAOYSA-N 1 2 329.360 1.993 20 5 EDBDLO CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000590757115 449276427 /nfs/dbraw/zinc/27/64/27/449276427.db2.gz DKJYPUBEDUOIHI-LBPRGKRZSA-N 1 2 343.343 1.131 20 5 EDBDLO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108044 449356839 /nfs/dbraw/zinc/35/68/39/449356839.db2.gz PGGIDIVWDHAIPM-SDDRHHMPSA-N 1 2 339.367 1.961 20 5 EDBDLO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108044 449356844 /nfs/dbraw/zinc/35/68/44/449356844.db2.gz PGGIDIVWDHAIPM-SDDRHHMPSA-N 1 2 339.367 1.961 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600420693 449365487 /nfs/dbraw/zinc/36/54/87/449365487.db2.gz KKIMFYDZQIRQCR-CYBMUJFWSA-N 1 2 337.376 1.442 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600420693 449365491 /nfs/dbraw/zinc/36/54/91/449365491.db2.gz KKIMFYDZQIRQCR-CYBMUJFWSA-N 1 2 337.376 1.442 20 5 EDBDLO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000611853854 449447085 /nfs/dbraw/zinc/44/70/85/449447085.db2.gz FWJZPYJWPMBZNF-UHFFFAOYSA-N 1 2 327.387 1.594 20 5 EDBDLO Cn1c[nH+]cc1CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000596250984 449439674 /nfs/dbraw/zinc/43/96/74/449439674.db2.gz WLSFSQWXIVOUNS-MRXNPFEDSA-N 1 2 343.343 1.338 20 5 EDBDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000612077665 449554501 /nfs/dbraw/zinc/55/45/01/449554501.db2.gz HHISMHCIPQYDOH-UHFFFAOYSA-N 1 2 342.417 1.869 20 5 EDBDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000612077665 449554504 /nfs/dbraw/zinc/55/45/04/449554504.db2.gz HHISMHCIPQYDOH-UHFFFAOYSA-N 1 2 342.417 1.869 20 5 EDBDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598647573 449517810 /nfs/dbraw/zinc/51/78/10/449517810.db2.gz OVPIQQBPXORSKA-STQMWFEESA-N 1 2 342.417 1.319 20 5 EDBDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598647573 449517818 /nfs/dbraw/zinc/51/78/18/449517818.db2.gz OVPIQQBPXORSKA-STQMWFEESA-N 1 2 342.417 1.319 20 5 EDBDLO COC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612086294 449556404 /nfs/dbraw/zinc/55/64/04/449556404.db2.gz SKBGWFFUHPOOES-CYBMUJFWSA-N 1 2 328.390 1.479 20 5 EDBDLO COC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612086294 449556409 /nfs/dbraw/zinc/55/64/09/449556409.db2.gz SKBGWFFUHPOOES-CYBMUJFWSA-N 1 2 328.390 1.479 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000598944536 449662767 /nfs/dbraw/zinc/66/27/67/449662767.db2.gz PIPIOZOXRMGRKL-SECBINFHSA-N 1 2 332.316 1.163 20 5 EDBDLO CC(C)(C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598948699 449665698 /nfs/dbraw/zinc/66/56/98/449665698.db2.gz SWOZCTOWAYKAEI-JTQLQIEISA-N 1 2 332.335 1.949 20 5 EDBDLO O=[N+]([O-])c1ccc(CCNc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000602577526 449683468 /nfs/dbraw/zinc/68/34/68/449683468.db2.gz PUYIAFNWXQPUDK-UHFFFAOYSA-N 1 2 345.403 1.778 20 5 EDBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253305 449776283 /nfs/dbraw/zinc/77/62/83/449776283.db2.gz LDXSLCSVGKTNQH-UHFFFAOYSA-N 1 2 348.794 1.798 20 5 EDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](Cn4ccnn4)C3)c2c1 ZINC000601196652 449745923 /nfs/dbraw/zinc/74/59/23/449745923.db2.gz QNSOHGBHYOVSJP-AWEZNQCLSA-N 1 2 340.343 1.640 20 5 EDBDLO COC(=O)[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])Cc2ccccc21 ZINC000602731251 449771476 /nfs/dbraw/zinc/77/14/76/449771476.db2.gz UEPZNGQFQZMANE-AWEZNQCLSA-N 1 2 330.344 1.601 20 5 EDBDLO COC(=O)[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])Cc2ccccc21 ZINC000602731251 449771481 /nfs/dbraw/zinc/77/14/81/449771481.db2.gz UEPZNGQFQZMANE-AWEZNQCLSA-N 1 2 330.344 1.601 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602942928 449944368 /nfs/dbraw/zinc/94/43/68/449944368.db2.gz MZGBFCUCSMODOB-UHFFFAOYSA-N 1 2 346.391 1.363 20 5 EDBDLO Cc1nnc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1C ZINC000602944795 449946238 /nfs/dbraw/zinc/94/62/38/449946238.db2.gz ULZYBTCZCKMFAM-GFCCVEGCSA-N 1 2 330.392 1.915 20 5 EDBDLO CCOC(=O)[C@@]1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000603002353 449996943 /nfs/dbraw/zinc/99/69/43/449996943.db2.gz DYTXAPHCNRKLGR-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000603002353 449996946 /nfs/dbraw/zinc/99/69/46/449996946.db2.gz DYTXAPHCNRKLGR-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000599688200 450154250 /nfs/dbraw/zinc/15/42/50/450154250.db2.gz WVLHLCNEHHLLPJ-AWEZNQCLSA-N 1 2 336.323 1.186 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000599688200 450154256 /nfs/dbraw/zinc/15/42/56/450154256.db2.gz WVLHLCNEHHLLPJ-AWEZNQCLSA-N 1 2 336.323 1.186 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603202417 450138426 /nfs/dbraw/zinc/13/84/26/450138426.db2.gz JLKCSEPMYPNMBI-UHFFFAOYSA-N 1 2 337.380 1.923 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1c[nH+]c(CCCO)c1 ZINC000615699730 450203674 /nfs/dbraw/zinc/20/36/74/450203674.db2.gz WWBVPXCMLBXJOQ-UHFFFAOYSA-N 1 2 325.346 1.109 20 5 EDBDLO CC1(C)C[C@@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CO1 ZINC000595505186 450193215 /nfs/dbraw/zinc/19/32/15/450193215.db2.gz ONSDBIUSQARRII-CYBMUJFWSA-N 1 2 333.388 1.920 20 5 EDBDLO CNc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000610913615 450379656 /nfs/dbraw/zinc/37/96/56/450379656.db2.gz IYMYUACVHSEILF-ZDUSSCGKSA-N 1 2 334.376 1.183 20 5 EDBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000273571139 486837128 /nfs/dbraw/zinc/83/71/28/486837128.db2.gz GBOGLBBAHJSGLM-SECBINFHSA-N 1 2 347.400 1.995 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173993834 534298460 /nfs/dbraw/zinc/29/84/60/534298460.db2.gz KKIBVLUEHTWPIA-KGLIPLIRSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173993834 534298461 /nfs/dbraw/zinc/29/84/61/534298461.db2.gz KKIBVLUEHTWPIA-KGLIPLIRSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173993834 534298462 /nfs/dbraw/zinc/29/84/62/534298462.db2.gz KKIBVLUEHTWPIA-KGLIPLIRSA-N 1 2 348.403 1.328 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000346043526 536001954 /nfs/dbraw/zinc/00/19/54/536001954.db2.gz WUYIRTWUEGBRQL-NSHDSACASA-N 1 2 331.332 1.569 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000346043526 536001959 /nfs/dbraw/zinc/00/19/59/536001959.db2.gz WUYIRTWUEGBRQL-NSHDSACASA-N 1 2 331.332 1.569 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000332255708 536801919 /nfs/dbraw/zinc/80/19/19/536801919.db2.gz ACPYXIKTBHXIER-VXGBXAGGSA-N 1 2 337.376 1.899 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000332255708 536801923 /nfs/dbraw/zinc/80/19/23/536801923.db2.gz ACPYXIKTBHXIER-VXGBXAGGSA-N 1 2 337.376 1.899 20 5 EDBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000729338970 578564238 /nfs/dbraw/zinc/56/42/38/578564238.db2.gz RQTQVASISMGAFR-ZDUSSCGKSA-N 1 2 347.375 1.184 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746472802 579596762 /nfs/dbraw/zinc/59/67/62/579596762.db2.gz GNYSPQMZJDRPQQ-DMZKTXOQSA-N 1 2 325.434 1.652 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756890644 579959615 /nfs/dbraw/zinc/95/96/15/579959615.db2.gz UBJRMEQUPJGTPD-AAEUAGOBSA-N 1 2 345.355 1.649 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756890644 579959616 /nfs/dbraw/zinc/95/96/16/579959616.db2.gz UBJRMEQUPJGTPD-AAEUAGOBSA-N 1 2 345.355 1.649 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)S1 ZINC000762229345 580070203 /nfs/dbraw/zinc/07/02/03/580070203.db2.gz UMFCDWYUEXWEHM-JTQLQIEISA-N 1 2 335.389 1.239 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCOC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000767594031 580194063 /nfs/dbraw/zinc/19/40/63/580194063.db2.gz MHBOJNFWVFNSDV-GFCCVEGCSA-N 1 2 326.349 1.065 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCOC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000767594031 580194064 /nfs/dbraw/zinc/19/40/64/580194064.db2.gz MHBOJNFWVFNSDV-GFCCVEGCSA-N 1 2 326.349 1.065 20 5 EDBDLO CNc1c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000767615543 580195173 /nfs/dbraw/zinc/19/51/73/580195173.db2.gz XUVOUOZCAUNTHQ-TXEJJXNPSA-N 1 2 335.360 1.657 20 5 EDBDLO CNc1c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000767615543 580195174 /nfs/dbraw/zinc/19/51/74/580195174.db2.gz XUVOUOZCAUNTHQ-TXEJJXNPSA-N 1 2 335.360 1.657 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771784868 580293917 /nfs/dbraw/zinc/29/39/17/580293917.db2.gz RAHFWMZOJAITBE-QWRGUYRKSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771784868 580293918 /nfs/dbraw/zinc/29/39/18/580293918.db2.gz RAHFWMZOJAITBE-QWRGUYRKSA-N 1 2 345.396 1.755 20 5 EDBDLO Cn1c[nH+]cc1CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000773821898 580346994 /nfs/dbraw/zinc/34/69/94/580346994.db2.gz CJNCVBHWZJBQAK-UHFFFAOYSA-N 1 2 347.331 1.528 20 5 EDBDLO C[C@H]1CCOCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000774652311 580369011 /nfs/dbraw/zinc/36/90/11/580369011.db2.gz ZZFAKKOWERFPDX-ZDUSSCGKSA-N 1 2 334.376 1.905 20 5 EDBDLO C[C@H]1CCOCC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000774652311 580369012 /nfs/dbraw/zinc/36/90/12/580369012.db2.gz ZZFAKKOWERFPDX-ZDUSSCGKSA-N 1 2 334.376 1.905 20 5 EDBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000776581345 580422159 /nfs/dbraw/zinc/42/21/59/580422159.db2.gz DAEPWOSLJGCOAM-SMDDNHRTSA-N 1 2 330.406 1.383 20 5 EDBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000776581345 580422160 /nfs/dbraw/zinc/42/21/60/580422160.db2.gz DAEPWOSLJGCOAM-SMDDNHRTSA-N 1 2 330.406 1.383 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584624 580422353 /nfs/dbraw/zinc/42/23/53/580422353.db2.gz NKPFOZNOGOMMON-SMDDNHRTSA-N 1 2 330.406 1.383 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584624 580422354 /nfs/dbraw/zinc/42/23/54/580422354.db2.gz NKPFOZNOGOMMON-SMDDNHRTSA-N 1 2 330.406 1.383 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000782295431 580571208 /nfs/dbraw/zinc/57/12/08/580571208.db2.gz KTGCHFRDGYXEGG-SECBINFHSA-N 1 2 327.312 1.194 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000794992506 580910367 /nfs/dbraw/zinc/91/03/67/580910367.db2.gz VWTZJWGYTYLQFE-IMRBUKKESA-N 1 2 344.327 1.496 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000794992506 580910368 /nfs/dbraw/zinc/91/03/68/580910368.db2.gz VWTZJWGYTYLQFE-IMRBUKKESA-N 1 2 344.327 1.496 20 5 EDBDLO COC[C@@]1(C)CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644622 580932551 /nfs/dbraw/zinc/93/25/51/580932551.db2.gz NHMDGYXUFJMCCL-KRWDZBQOSA-N 1 2 335.404 1.912 20 5 EDBDLO COC[C@@]1(C)CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644622 580932552 /nfs/dbraw/zinc/93/25/52/580932552.db2.gz NHMDGYXUFJMCCL-KRWDZBQOSA-N 1 2 335.404 1.912 20 5 EDBDLO Cc1nn(CCC(=O)OCC[N@@H+]2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000800159727 581045579 /nfs/dbraw/zinc/04/55/79/581045579.db2.gz YHEPQPQKXBFDNC-LLVKDONJSA-N 1 2 340.380 1.062 20 5 EDBDLO Cc1nn(CCC(=O)OCC[N@H+]2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000800159727 581045580 /nfs/dbraw/zinc/04/55/80/581045580.db2.gz YHEPQPQKXBFDNC-LLVKDONJSA-N 1 2 340.380 1.062 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000898491276 591376077 /nfs/dbraw/zinc/37/60/77/591376077.db2.gz LINVEIZAVRJPCR-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898491276 591376085 /nfs/dbraw/zinc/37/60/85/591376085.db2.gz LINVEIZAVRJPCR-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@]2(CCCOC2)C1=O ZINC000902248889 591959928 /nfs/dbraw/zinc/95/99/28/591959928.db2.gz LVYDSAWOXKPDNB-KRWDZBQOSA-N 1 2 333.388 1.666 20 5 EDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@]2(CCCOC2)C1=O ZINC000902248889 591959929 /nfs/dbraw/zinc/95/99/29/591959929.db2.gz LVYDSAWOXKPDNB-KRWDZBQOSA-N 1 2 333.388 1.666 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2OCCO2)nc1-c1ccccn1 ZINC000902624015 592021612 /nfs/dbraw/zinc/02/16/12/592021612.db2.gz BPWNUYLQGOQMSS-CYBMUJFWSA-N 1 2 345.359 1.648 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2C2OCCO2)nc1-c1ccccn1 ZINC000902624015 592021614 /nfs/dbraw/zinc/02/16/14/592021614.db2.gz BPWNUYLQGOQMSS-CYBMUJFWSA-N 1 2 345.359 1.648 20 5 EDBDLO CC[S@](=O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000735075159 592974515 /nfs/dbraw/zinc/97/45/15/592974515.db2.gz CUCWMOZMLPCBTB-QHCPKHFHSA-N 1 2 334.401 1.963 20 5 EDBDLO CN1CC[NH+](C[C@@H](O)COc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000840769222 592982227 /nfs/dbraw/zinc/98/22/27/592982227.db2.gz VSHHWFKAZFCXBQ-LLVKDONJSA-N 1 2 329.784 1.235 20 5 EDBDLO COC[C@]1(C)CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000840106617 593187000 /nfs/dbraw/zinc/18/70/00/593187000.db2.gz IYQZZVJHAVWUCX-MRXNPFEDSA-N 1 2 333.344 1.507 20 5 EDBDLO COC[C@]1(C)CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000840106617 593187003 /nfs/dbraw/zinc/18/70/03/593187003.db2.gz IYQZZVJHAVWUCX-MRXNPFEDSA-N 1 2 333.344 1.507 20 5 EDBDLO CO[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1(C)C ZINC000840123801 593207881 /nfs/dbraw/zinc/20/78/81/593207881.db2.gz BZYXGWPEPBLJRR-ZDUSSCGKSA-N 1 2 347.371 1.895 20 5 EDBDLO CO[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1(C)C ZINC000840123801 593207882 /nfs/dbraw/zinc/20/78/82/593207882.db2.gz BZYXGWPEPBLJRR-ZDUSSCGKSA-N 1 2 347.371 1.895 20 5 EDBDLO CO[C@@H]1CCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988366 593298717 /nfs/dbraw/zinc/29/87/17/593298717.db2.gz NNJHTAAPGZIYQA-ZBFHGGJFSA-N 1 2 335.360 1.600 20 5 EDBDLO CO[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988366 593298719 /nfs/dbraw/zinc/29/87/19/593298719.db2.gz NNJHTAAPGZIYQA-ZBFHGGJFSA-N 1 2 335.360 1.600 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168591 593329306 /nfs/dbraw/zinc/32/93/06/593329306.db2.gz KKDJGSXZMLJSPV-WHOFXGATSA-N 1 2 335.385 1.679 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168591 593329309 /nfs/dbraw/zinc/32/93/09/593329309.db2.gz KKDJGSXZMLJSPV-WHOFXGATSA-N 1 2 335.385 1.679 20 5 EDBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(OC)OC ZINC000839741100 593377839 /nfs/dbraw/zinc/37/78/39/593377839.db2.gz CJBYXVGHOFRXAI-LBPRGKRZSA-N 1 2 348.359 1.908 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000757912703 593388754 /nfs/dbraw/zinc/38/87/54/593388754.db2.gz BPUFFZYQOCHVES-UHFFFAOYSA-N 1 2 327.344 1.318 20 5 EDBDLO C[C@@H]1COCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840033235 593398164 /nfs/dbraw/zinc/39/81/64/593398164.db2.gz IGOHJJPYYDLVNP-BLLLJJGKSA-N 1 2 335.360 1.458 20 5 EDBDLO C[C@@H]1COCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840033235 593398166 /nfs/dbraw/zinc/39/81/66/593398166.db2.gz IGOHJJPYYDLVNP-BLLLJJGKSA-N 1 2 335.360 1.458 20 5 EDBDLO Cc1c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804332155 593405402 /nfs/dbraw/zinc/40/54/02/593405402.db2.gz HSCIGRUFDSSSNX-JTQLQIEISA-N 1 2 345.315 1.753 20 5 EDBDLO COC(=O)C1(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000810756464 593427659 /nfs/dbraw/zinc/42/76/59/593427659.db2.gz KKMCSTPJSYXFCQ-UHFFFAOYSA-N 1 2 331.284 1.643 20 5 EDBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000825664243 594212647 /nfs/dbraw/zinc/21/26/47/594212647.db2.gz AKHDEOAHOBZSAG-HNNXBMFYSA-N 1 2 329.312 1.313 20 5 EDBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000825665310 594212803 /nfs/dbraw/zinc/21/28/03/594212803.db2.gz QLSDMFQJSMMFDU-OCCSQVGLSA-N 1 2 330.344 1.758 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1F ZINC000830627865 594442931 /nfs/dbraw/zinc/44/29/31/594442931.db2.gz LPVXQDHDJRFTBM-ONGXEEELSA-N 1 2 343.330 1.630 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1F ZINC000830627865 594442933 /nfs/dbraw/zinc/44/29/33/594442933.db2.gz LPVXQDHDJRFTBM-ONGXEEELSA-N 1 2 343.330 1.630 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC000826703979 594559962 /nfs/dbraw/zinc/55/99/62/594559962.db2.gz OGLKHWUQNWJCMX-CYBMUJFWSA-N 1 2 329.360 1.728 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000826703979 594559963 /nfs/dbraw/zinc/55/99/63/594559963.db2.gz OGLKHWUQNWJCMX-CYBMUJFWSA-N 1 2 329.360 1.728 20 5 EDBDLO Cn1c[nH+]cc1CCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837514883 595130318 /nfs/dbraw/zinc/13/03/18/595130318.db2.gz NISIHGIKUYXIAZ-UHFFFAOYSA-N 1 2 333.300 1.306 20 5 EDBDLO Cc1nn(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000842620433 595145728 /nfs/dbraw/zinc/14/57/28/595145728.db2.gz OKDNHWHANVWDAM-HNNXBMFYSA-N 1 2 349.416 1.813 20 5 EDBDLO Cc1nn(C[N@H+]2CCO[C@@]3(CCSC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000842620433 595145729 /nfs/dbraw/zinc/14/57/29/595145729.db2.gz OKDNHWHANVWDAM-HNNXBMFYSA-N 1 2 349.416 1.813 20 5 EDBDLO NC(COC[C@H]1CCCO1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000842659620 595162459 /nfs/dbraw/zinc/16/24/59/595162459.db2.gz ZISJMOHRDASJCV-GFCCVEGCSA-N 1 2 327.312 1.928 20 5 EDBDLO Cc1cc(C(=O)NCC(=O)N[C@H]2CCn3c[nH+]cc32)ccc1[N+](=O)[O-] ZINC000857988715 595679829 /nfs/dbraw/zinc/67/98/29/595679829.db2.gz LVJGHVZZXBZCTK-LBPRGKRZSA-N 1 2 343.343 1.091 20 5 EDBDLO NC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853487954 595765557 /nfs/dbraw/zinc/76/55/57/595765557.db2.gz NPFCTYBQPGKHHD-UHFFFAOYSA-N 1 2 330.348 1.008 20 5 EDBDLO CN(Cc1c[nH+]c[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000853743225 595869300 /nfs/dbraw/zinc/86/93/00/595869300.db2.gz KXBVSSKQCZYSFP-UHFFFAOYSA-N 1 2 346.315 1.951 20 5 EDBDLO CN(Cc1c[nH]c[nH+]1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000853743225 595869302 /nfs/dbraw/zinc/86/93/02/595869302.db2.gz KXBVSSKQCZYSFP-UHFFFAOYSA-N 1 2 346.315 1.951 20 5 EDBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cc(F)ncn3)CC2)c1 ZINC000852132125 596056268 /nfs/dbraw/zinc/05/62/68/596056268.db2.gz JBMYFOKKGXWNIN-CQSZACIVSA-N 1 2 347.350 1.380 20 5 EDBDLO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000856798063 596085440 /nfs/dbraw/zinc/08/54/40/596085440.db2.gz NPLGUMKZPKAECC-KRWDZBQOSA-N 1 2 346.387 1.980 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434217 596159579 /nfs/dbraw/zinc/15/95/79/596159579.db2.gz CUURCNUCUBUNNQ-CYBMUJFWSA-N 1 2 348.359 1.368 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852434217 596159584 /nfs/dbraw/zinc/15/95/84/596159584.db2.gz CUURCNUCUBUNNQ-CYBMUJFWSA-N 1 2 348.359 1.368 20 5 EDBDLO COC(=O)N(C)CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000852571992 596201280 /nfs/dbraw/zinc/20/12/80/596201280.db2.gz KVVMTYLXWPYTLK-UHFFFAOYSA-N 1 2 349.347 1.775 20 5 EDBDLO COC(=O)N(C)CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000852571992 596201283 /nfs/dbraw/zinc/20/12/83/596201283.db2.gz KVVMTYLXWPYTLK-UHFFFAOYSA-N 1 2 349.347 1.775 20 5 EDBDLO CC(C)(Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1)[N+](=O)[O-] ZINC000864642856 596294281 /nfs/dbraw/zinc/29/42/81/596294281.db2.gz YDIRJOBZIMOEHE-UHFFFAOYSA-N 1 2 344.419 1.656 20 5 EDBDLO COc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000864957337 596428131 /nfs/dbraw/zinc/42/81/31/596428131.db2.gz YNZCVUXLJNVYOT-IHWYPQMZSA-N 1 2 335.360 1.108 20 5 EDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865595790 596621957 /nfs/dbraw/zinc/62/19/57/596621957.db2.gz PEDRUTLHNWSCTO-LBPRGKRZSA-N 1 2 345.346 1.662 20 5 EDBDLO O=C(NCC1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000871991916 596782516 /nfs/dbraw/zinc/78/25/16/596782516.db2.gz OGDGWPIYXQYWDQ-LBPRGKRZSA-N 1 2 347.293 1.239 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000866371494 596868041 /nfs/dbraw/zinc/86/80/41/596868041.db2.gz JIWAHOCVACVJNU-UHFFFAOYSA-N 1 2 331.369 1.369 20 5 EDBDLO CSC1CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000872627702 596998443 /nfs/dbraw/zinc/99/84/43/596998443.db2.gz VPPRMHSCFAJAMP-UHFFFAOYSA-N 1 2 335.385 1.976 20 5 EDBDLO CNC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000879757792 597712321 /nfs/dbraw/zinc/71/23/21/597712321.db2.gz FXWIEQMWIOJJFD-UHFFFAOYSA-N 1 2 344.371 1.005 20 5 EDBDLO CNC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000879757792 597712322 /nfs/dbraw/zinc/71/23/22/597712322.db2.gz FXWIEQMWIOJJFD-UHFFFAOYSA-N 1 2 344.371 1.005 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000914082519 695080184 /nfs/dbraw/zinc/08/01/84/695080184.db2.gz GHEOMDQSNLLVLL-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ncccc1F ZINC001032072339 698056526 /nfs/dbraw/zinc/05/65/26/698056526.db2.gz MAMJZWHUKITXIB-UHFFFAOYSA-N 1 2 344.346 1.991 20 5 EDBDLO CN(C(=O)C(C)(F)F)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005031635 707163192 /nfs/dbraw/zinc/16/31/92/707163192.db2.gz ZCUIYNUXKDDVFG-UHFFFAOYSA-N 1 2 345.350 1.406 20 5 EDBDLO COc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005378095 708835457 /nfs/dbraw/zinc/83/54/57/708835457.db2.gz IMPIOBUCGMSCCU-HZPDHXFCSA-N 1 2 348.403 1.178 20 5 EDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000181562297 529928349 /nfs/dbraw/zinc/92/83/49/529928349.db2.gz SSWGSEAYQCCWDQ-CYBMUJFWSA-N 1 2 328.390 1.479 20 5 EDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000181562297 529928351 /nfs/dbraw/zinc/92/83/51/529928351.db2.gz SSWGSEAYQCCWDQ-CYBMUJFWSA-N 1 2 328.390 1.479 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000560698197 306277708 /nfs/dbraw/zinc/27/77/08/306277708.db2.gz NCORGNXMEOXZME-SNVBAGLBSA-N 1 2 326.316 1.995 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000067128186 215115273 /nfs/dbraw/zinc/11/52/73/215115273.db2.gz RCDWNUJMJPBEKA-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000413005401 304049043 /nfs/dbraw/zinc/04/90/43/304049043.db2.gz YXMFCIPREQFBIC-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000413005401 304049045 /nfs/dbraw/zinc/04/90/45/304049045.db2.gz YXMFCIPREQFBIC-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1C ZINC000060441834 138162870 /nfs/dbraw/zinc/16/28/70/138162870.db2.gz WWBHWKMDLDZRML-UHFFFAOYSA-N 1 2 338.389 1.766 20 5 EDBDLO Cn1c[nH+]cc1CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000194298098 138989318 /nfs/dbraw/zinc/98/93/18/138989318.db2.gz RUHREYKOIAVKOA-UHFFFAOYSA-N 1 2 330.344 1.551 20 5 EDBDLO CCn1cc[nH+]c1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000195517439 139019126 /nfs/dbraw/zinc/01/91/26/139019126.db2.gz MWVMEBTXSKNDFT-INIZCTEOSA-N 1 2 343.343 1.778 20 5 EDBDLO CCc1nc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000081162195 217367405 /nfs/dbraw/zinc/36/74/05/217367405.db2.gz VUOSNWDAVSGMPY-UHFFFAOYSA-N 1 2 331.376 1.858 20 5 EDBDLO O=C1NCCCC[C@@H]1[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000374546209 296365405 /nfs/dbraw/zinc/36/54/05/296365405.db2.gz RRVBGMRQHWWFCY-AWEZNQCLSA-N 1 2 336.367 1.525 20 5 EDBDLO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000171609570 533186786 /nfs/dbraw/zinc/18/67/86/533186786.db2.gz CLGNCBMATSENHL-CHWSQXEVSA-N 1 2 336.392 1.503 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492295653 255168512 /nfs/dbraw/zinc/16/85/12/255168512.db2.gz QIGWBDQLUAHXFG-SECBINFHSA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492295653 255168513 /nfs/dbraw/zinc/16/85/13/255168513.db2.gz QIGWBDQLUAHXFG-SECBINFHSA-N 1 2 333.797 1.501 20 5 EDBDLO CCOc1cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492605302 255182571 /nfs/dbraw/zinc/18/25/71/255182571.db2.gz HISIAJSYAJKHGX-LLVKDONJSA-N 1 2 330.406 1.858 20 5 EDBDLO CCOc1cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000492605302 255182572 /nfs/dbraw/zinc/18/25/72/255182572.db2.gz HISIAJSYAJKHGX-LLVKDONJSA-N 1 2 330.406 1.858 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1C ZINC000119553909 221346842 /nfs/dbraw/zinc/34/68/42/221346842.db2.gz DPKVUOXUMFHTKC-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000264331171 139397822 /nfs/dbraw/zinc/39/78/22/139397822.db2.gz NCDITOKUJMTYOJ-AWEZNQCLSA-N 1 2 329.360 1.958 20 5 EDBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000264331171 139397823 /nfs/dbraw/zinc/39/78/23/139397823.db2.gz NCDITOKUJMTYOJ-AWEZNQCLSA-N 1 2 329.360 1.958 20 5 EDBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416296081 304304092 /nfs/dbraw/zinc/30/40/92/304304092.db2.gz NIMZHQYYLMPDOU-ZJUUUORDSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416296081 304304094 /nfs/dbraw/zinc/30/40/94/304304094.db2.gz NIMZHQYYLMPDOU-ZJUUUORDSA-N 1 2 327.406 1.492 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000332240346 141145356 /nfs/dbraw/zinc/14/53/56/141145356.db2.gz PCGUYIGRAWFQHB-OLZOCXBDSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000332240346 141145357 /nfs/dbraw/zinc/14/53/57/141145357.db2.gz PCGUYIGRAWFQHB-OLZOCXBDSA-N 1 2 325.752 1.403 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000332625390 141217995 /nfs/dbraw/zinc/21/79/95/141217995.db2.gz NPTGCCHANOYGIY-UHFFFAOYSA-N 1 2 338.345 1.004 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c(C)cc1[N+](=O)[O-] ZINC000416397863 304315729 /nfs/dbraw/zinc/31/57/29/304315729.db2.gz BUUMWWIUNCUHTA-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCn2cccn2)CC1 ZINC000339734299 142138005 /nfs/dbraw/zinc/13/80/05/142138005.db2.gz SLVNJLOSLUTXSZ-UHFFFAOYSA-N 1 2 329.360 1.249 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000339783411 142154994 /nfs/dbraw/zinc/15/49/94/142154994.db2.gz RNHSRYDYOIULQC-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000345616018 143112532 /nfs/dbraw/zinc/11/25/32/143112532.db2.gz YKRYQNGWLBLDAO-UHFFFAOYSA-N 1 2 332.364 1.267 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000416534758 304329825 /nfs/dbraw/zinc/32/98/25/304329825.db2.gz LPRJERZEZWSBJI-UHFFFAOYSA-N 1 2 338.389 1.466 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352797564 149168517 /nfs/dbraw/zinc/16/85/17/149168517.db2.gz BKXXVAHLYYLJAG-JCOFBHIZSA-N 1 2 343.767 1.267 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352797564 149168520 /nfs/dbraw/zinc/16/85/20/149168520.db2.gz BKXXVAHLYYLJAG-JCOFBHIZSA-N 1 2 343.767 1.267 20 5 EDBDLO COC(=O)c1cn(C2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000355009496 150074959 /nfs/dbraw/zinc/07/49/59/150074959.db2.gz FAPCYRWXURDPLV-GQCTYLIASA-N 1 2 343.343 1.543 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCNC(=O)N(C)C ZINC000355027742 150081196 /nfs/dbraw/zinc/08/11/96/150081196.db2.gz DGIRBDQYXGTHPQ-NSHDSACASA-N 1 2 337.380 1.125 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCNC(=O)N(C)C ZINC000355027742 150081198 /nfs/dbraw/zinc/08/11/98/150081198.db2.gz DGIRBDQYXGTHPQ-NSHDSACASA-N 1 2 337.380 1.125 20 5 EDBDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000355088832 150110373 /nfs/dbraw/zinc/11/03/73/150110373.db2.gz CHVJZNPOTQKKJP-UHFFFAOYSA-N 1 2 330.753 1.460 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000355337585 150222438 /nfs/dbraw/zinc/22/24/38/150222438.db2.gz XRVIIVKOHRPEFD-AWEZNQCLSA-N 1 2 334.376 1.338 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000355337585 150222442 /nfs/dbraw/zinc/22/24/42/150222442.db2.gz XRVIIVKOHRPEFD-AWEZNQCLSA-N 1 2 334.376 1.338 20 5 EDBDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000355496763 150292143 /nfs/dbraw/zinc/29/21/43/150292143.db2.gz WWRAHEUJSBRIAA-VXGBXAGGSA-N 1 2 337.376 1.482 20 5 EDBDLO COc1cc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000332178854 286221136 /nfs/dbraw/zinc/22/11/36/286221136.db2.gz DIFZFXVFDLUURS-UKRRQHHQSA-N 1 2 325.340 1.257 20 5 EDBDLO COc1cc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000332178854 286221137 /nfs/dbraw/zinc/22/11/37/286221137.db2.gz DIFZFXVFDLUURS-UKRRQHHQSA-N 1 2 325.340 1.257 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000370039015 155293541 /nfs/dbraw/zinc/29/35/41/155293541.db2.gz VHEFXYHMKQHBKX-UHFFFAOYSA-N 1 2 349.416 1.784 20 5 EDBDLO Cn1c[nH+]cc1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000357599346 151080822 /nfs/dbraw/zinc/08/08/22/151080822.db2.gz SVYIBSSJMYVMCP-UHFFFAOYSA-N 1 2 331.376 1.773 20 5 EDBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000360616050 152124023 /nfs/dbraw/zinc/12/40/23/152124023.db2.gz UBBIZGQYGFKRGT-UHFFFAOYSA-N 1 2 339.311 1.811 20 5 EDBDLO CCN1CCO[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1 ZINC000361315157 152360630 /nfs/dbraw/zinc/36/06/30/152360630.db2.gz LOMITLHDRNALJS-HNNXBMFYSA-N 1 2 349.435 1.141 20 5 EDBDLO CCn1cc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000361356219 152371031 /nfs/dbraw/zinc/37/10/31/152371031.db2.gz LKGFEZMHENXQQE-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO CCn1cc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000361356219 152371032 /nfs/dbraw/zinc/37/10/32/152371032.db2.gz LKGFEZMHENXQQE-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364329092 153206662 /nfs/dbraw/zinc/20/66/62/153206662.db2.gz PQBKDMKCJWCOLN-LBPRGKRZSA-N 1 2 333.348 1.743 20 5 EDBDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364329092 153206664 /nfs/dbraw/zinc/20/66/64/153206664.db2.gz PQBKDMKCJWCOLN-LBPRGKRZSA-N 1 2 333.348 1.743 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364956057 153382027 /nfs/dbraw/zinc/38/20/27/153382027.db2.gz RLHCHWBQXUQKHM-RBOXIYTFSA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364956057 153382031 /nfs/dbraw/zinc/38/20/31/153382031.db2.gz RLHCHWBQXUQKHM-RBOXIYTFSA-N 1 2 346.387 1.428 20 5 EDBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371691703 156063655 /nfs/dbraw/zinc/06/36/55/156063655.db2.gz CDNHNNQKMQEOMB-UKRRQHHQSA-N 1 2 346.387 1.905 20 5 EDBDLO Cn1ccnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371691703 156063659 /nfs/dbraw/zinc/06/36/59/156063659.db2.gz CDNHNNQKMQEOMB-UKRRQHHQSA-N 1 2 346.387 1.905 20 5 EDBDLO CCc1n[nH]c(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000372226692 156277576 /nfs/dbraw/zinc/27/75/76/156277576.db2.gz VPEFPTOJQJWZBK-JTQLQIEISA-N 1 2 332.364 1.693 20 5 EDBDLO NC(=O)c1ncn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000372456495 156398196 /nfs/dbraw/zinc/39/81/96/156398196.db2.gz WHCCIHHELQYDGA-GFCCVEGCSA-N 1 2 348.338 1.261 20 5 EDBDLO NC(=O)c1ncn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000372456495 156398201 /nfs/dbraw/zinc/39/82/01/156398201.db2.gz WHCCIHHELQYDGA-GFCCVEGCSA-N 1 2 348.338 1.261 20 5 EDBDLO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2F)C[C@H]1[NH+]1CCOCC1 ZINC000373836847 157026258 /nfs/dbraw/zinc/02/62/58/157026258.db2.gz UBIOVBQWHWHOOG-SMDDNHRTSA-N 1 2 337.351 1.527 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000374331676 157247297 /nfs/dbraw/zinc/24/72/97/157247297.db2.gz LHVQMRSZCBVMNN-JTQLQIEISA-N 1 2 332.364 1.634 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000374331676 157247299 /nfs/dbraw/zinc/24/72/99/157247299.db2.gz LHVQMRSZCBVMNN-JTQLQIEISA-N 1 2 332.364 1.634 20 5 EDBDLO O=Cc1ccc(OCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000378514310 158196142 /nfs/dbraw/zinc/19/61/42/158196142.db2.gz AXAWFIIGVHGPOE-LBPRGKRZSA-N 1 2 344.327 1.873 20 5 EDBDLO CC[C@H]1C(=O)NCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000076420427 287283437 /nfs/dbraw/zinc/28/34/37/287283437.db2.gz QSGRDSVKKFXKBK-LBPRGKRZSA-N 1 2 348.359 1.103 20 5 EDBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000076420427 287283438 /nfs/dbraw/zinc/28/34/38/287283438.db2.gz QSGRDSVKKFXKBK-LBPRGKRZSA-N 1 2 348.359 1.103 20 5 EDBDLO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1[NH+](C)C ZINC000274873050 268228068 /nfs/dbraw/zinc/22/80/68/268228068.db2.gz ZSDIUCUULKKOGA-WCQYABFASA-N 1 2 325.390 1.418 20 5 EDBDLO Cc1ccc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000275826955 268375382 /nfs/dbraw/zinc/37/53/82/268375382.db2.gz VDPROABTMXABRA-CYBMUJFWSA-N 1 2 342.403 1.986 20 5 EDBDLO Cc1ccc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000275826955 268375383 /nfs/dbraw/zinc/37/53/83/268375383.db2.gz VDPROABTMXABRA-CYBMUJFWSA-N 1 2 342.403 1.986 20 5 EDBDLO Cc1nc(N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000275848655 268377938 /nfs/dbraw/zinc/37/79/38/268377938.db2.gz WRSFYJURIDVHGU-LBPRGKRZSA-N 1 2 343.391 1.381 20 5 EDBDLO Cc1nc(N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000275848655 268377940 /nfs/dbraw/zinc/37/79/40/268377940.db2.gz WRSFYJURIDVHGU-LBPRGKRZSA-N 1 2 343.391 1.381 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000273156700 273030448 /nfs/dbraw/zinc/03/04/48/273030448.db2.gz JGWIHCUYHVOWAG-HNNXBMFYSA-N 1 2 329.360 1.870 20 5 EDBDLO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(F)c1 ZINC000274173484 273074328 /nfs/dbraw/zinc/07/43/28/273074328.db2.gz HSBOPPYNQVLIGW-UHFFFAOYSA-N 1 2 348.352 1.165 20 5 EDBDLO O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000274201041 273077394 /nfs/dbraw/zinc/07/73/94/273077394.db2.gz IGGNETWIKXMYPZ-UHFFFAOYSA-N 1 2 348.352 1.165 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000171758548 272932244 /nfs/dbraw/zinc/93/22/44/272932244.db2.gz YGMDRBBDXUKNDC-UHFFFAOYSA-N 1 2 326.316 1.476 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000277927779 273236054 /nfs/dbraw/zinc/23/60/54/273236054.db2.gz DFNFPXLNBWIAPH-CMPLNLGQSA-N 1 2 334.336 1.148 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000277927779 273236055 /nfs/dbraw/zinc/23/60/55/273236055.db2.gz DFNFPXLNBWIAPH-CMPLNLGQSA-N 1 2 334.336 1.148 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1C ZINC000280091950 273344687 /nfs/dbraw/zinc/34/46/87/273344687.db2.gz AALNBJLBWKMKJD-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1C ZINC000280091950 273344688 /nfs/dbraw/zinc/34/46/88/273344688.db2.gz AALNBJLBWKMKJD-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000282157748 273597290 /nfs/dbraw/zinc/59/72/90/273597290.db2.gz CNQAQJHFACOJNE-UHFFFAOYSA-N 1 2 327.348 1.533 20 5 EDBDLO Cc1cc(F)c(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] 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20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000068218255 441755571 /nfs/dbraw/zinc/75/55/71/441755571.db2.gz RGWJKECJWYGUBN-UHFFFAOYSA-N 1 2 328.332 1.372 20 5 EDBDLO COc1cc(C[N@@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000092011484 441761924 /nfs/dbraw/zinc/76/19/24/441761924.db2.gz KZNFKCOHHFLZDX-UHFFFAOYSA-N 1 2 325.365 1.555 20 5 EDBDLO COc1cc(C[N@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000092011484 441761925 /nfs/dbraw/zinc/76/19/25/441761925.db2.gz KZNFKCOHHFLZDX-UHFFFAOYSA-N 1 2 325.365 1.555 20 5 EDBDLO CCNC(=O)CN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057024975 441775196 /nfs/dbraw/zinc/77/51/96/441775196.db2.gz NFSYFEIQMNWIHM-UHFFFAOYSA-N 1 2 345.359 1.379 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124757242 441950213 /nfs/dbraw/zinc/95/02/13/441950213.db2.gz FQYAYOXDPQBEAD-MEDUHNTESA-N 1 2 337.376 1.777 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124757242 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334.307 1.524 20 5 EDBDLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269705724 443404059 /nfs/dbraw/zinc/40/40/59/443404059.db2.gz ZVTDPKMCUQPWAQ-OAHLLOKOSA-N 1 2 335.404 1.819 20 5 EDBDLO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)CCCO1 ZINC000278809667 443447665 /nfs/dbraw/zinc/44/76/65/443447665.db2.gz ZOYIJXGDAAMJSK-GFCCVEGCSA-N 1 2 337.376 1.531 20 5 EDBDLO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)CCCO1 ZINC000278809667 443447667 /nfs/dbraw/zinc/44/76/67/443447667.db2.gz ZOYIJXGDAAMJSK-GFCCVEGCSA-N 1 2 337.376 1.531 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279370764 443567112 /nfs/dbraw/zinc/56/71/12/443567112.db2.gz SMTDMDKZJYLZEX-GFCCVEGCSA-N 1 2 337.376 1.396 20 5 EDBDLO COC(=O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000267830802 443591463 /nfs/dbraw/zinc/59/14/63/443591463.db2.gz QXVOSOQDKIVVHO-CQSZACIVSA-N 1 2 344.327 1.462 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286304485 443687041 /nfs/dbraw/zinc/68/70/41/443687041.db2.gz DOGROXKQSXFZEE-OLZOCXBDSA-N 1 2 346.330 1.691 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286304485 443687042 /nfs/dbraw/zinc/68/70/42/443687042.db2.gz DOGROXKQSXFZEE-OLZOCXBDSA-N 1 2 346.330 1.691 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c(C)cc1[N+](=O)[O-] ZINC000516937647 320443520 /nfs/dbraw/zinc/44/35/20/320443520.db2.gz ANARGQBOYFPFNM-NSHDSACASA-N 1 2 349.359 1.439 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000276673298 443787517 /nfs/dbraw/zinc/78/75/17/443787517.db2.gz NIKCEAOBEHSZNH-OAHLLOKOSA-N 1 2 343.387 1.386 20 5 EDBDLO Cc1cc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000298749822 443857867 /nfs/dbraw/zinc/85/78/67/443857867.db2.gz VWMSGTCTZDDMRQ-UHFFFAOYSA-N 1 2 327.344 1.978 20 5 EDBDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000281452476 443914833 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Cc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000285698271 444076991 /nfs/dbraw/zinc/07/69/91/444076991.db2.gz BOINAHSQAAXUNB-AWEZNQCLSA-N 1 2 343.387 1.625 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000285698271 444076995 /nfs/dbraw/zinc/07/69/95/444076995.db2.gz BOINAHSQAAXUNB-AWEZNQCLSA-N 1 2 343.387 1.625 20 5 EDBDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000296387063 444224974 /nfs/dbraw/zinc/22/49/74/444224974.db2.gz SJVCBLSTRBNMPS-SECBINFHSA-N 1 2 339.373 1.699 20 5 EDBDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000296387063 444224975 /nfs/dbraw/zinc/22/49/75/444224975.db2.gz SJVCBLSTRBNMPS-SECBINFHSA-N 1 2 339.373 1.699 20 5 EDBDLO CNC(=O)c1ccc(NC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000308664175 444289424 /nfs/dbraw/zinc/28/94/24/444289424.db2.gz OERFAWFPOMWLGO-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000580725003 322088494 /nfs/dbraw/zinc/08/84/94/322088494.db2.gz MQOHQTJDVQRMBI-LBPRGKRZSA-N 1 2 346.387 1.456 20 5 EDBDLO COC(=O)c1cc(C)nc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000341366706 444797934 /nfs/dbraw/zinc/79/79/34/444797934.db2.gz IVRIADVXXZXNNL-UHFFFAOYSA-N 1 2 341.327 2.345 20 5 EDBDLO Cc1ccn2cc(CNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[nH+]c2c1 ZINC000338675544 444802908 /nfs/dbraw/zinc/80/29/08/444802908.db2.gz SITXQYSPRZAQBZ-UHFFFAOYSA-N 1 2 342.359 1.799 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] ZINC000337308758 445026743 /nfs/dbraw/zinc/02/67/43/445026743.db2.gz VDBNQKYXHNKYIA-UHFFFAOYSA-N 1 2 344.375 1.303 20 5 EDBDLO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH+]1C ZINC000339067334 445017039 /nfs/dbraw/zinc/01/70/39/445017039.db2.gz LSCOQRUZXSPVNV-RYUDHWBXSA-N 1 2 327.406 1.449 20 5 EDBDLO CC[C@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCO1 ZINC000343090507 445055237 /nfs/dbraw/zinc/05/52/37/445055237.db2.gz FGJCVSVFYPYEJF-LBPRGKRZSA-N 1 2 347.375 1.766 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCO1 ZINC000343090507 445055240 /nfs/dbraw/zinc/05/52/40/445055240.db2.gz FGJCVSVFYPYEJF-LBPRGKRZSA-N 1 2 347.375 1.766 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+]2CCN(C3CC3)C(=O)C2)cccc1[N+](=O)[O-] ZINC000337383262 445057025 /nfs/dbraw/zinc/05/70/25/445057025.db2.gz ZUUMZCUOWUAWRJ-UHFFFAOYSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+]2CCN(C3CC3)C(=O)C2)cccc1[N+](=O)[O-] ZINC000337383262 445057028 /nfs/dbraw/zinc/05/70/28/445057028.db2.gz ZUUMZCUOWUAWRJ-UHFFFAOYSA-N 1 2 346.387 1.538 20 5 EDBDLO NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339176877 445074426 /nfs/dbraw/zinc/07/44/26/445074426.db2.gz UMOOGEIEJDHGJH-ZBFHGGJFSA-N 1 2 349.387 1.403 20 5 EDBDLO O=C(NCCc1cnccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341996396 445114680 /nfs/dbraw/zinc/11/46/80/445114680.db2.gz OQRCTEGBIBDASN-UHFFFAOYSA-N 1 2 338.327 1.543 20 5 EDBDLO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000343398412 445215789 /nfs/dbraw/zinc/21/57/89/445215789.db2.gz FXCGFSINSVVKPG-LLVKDONJSA-N 1 2 331.332 1.164 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000348033767 445263039 /nfs/dbraw/zinc/26/30/39/445263039.db2.gz MPYPBBVNNQXTSK-UHFFFAOYSA-N 1 2 348.340 1.446 20 5 EDBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1COC[C@@H]1O ZINC000348638803 445341800 /nfs/dbraw/zinc/34/18/00/445341800.db2.gz XGCIKJPGYAEUQX-KBPBESRZSA-N 1 2 335.385 1.910 20 5 EDBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1COC[C@@H]1O ZINC000348638803 445341802 /nfs/dbraw/zinc/34/18/02/445341802.db2.gz XGCIKJPGYAEUQX-KBPBESRZSA-N 1 2 335.385 1.910 20 5 EDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2[nH]cc[nH+]2)cc1OC ZINC000359695855 445380569 /nfs/dbraw/zinc/38/05/69/445380569.db2.gz WUCSEERYGWQANN-UHFFFAOYSA-N 1 2 334.332 1.698 20 5 EDBDLO Cc1ccn2cc(CNc3nccc(C(N)=O)c3[N+](=O)[O-])[nH+]c2c1 ZINC000357296032 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ZINC000599565134 450064067 /nfs/dbraw/zinc/06/40/67/450064067.db2.gz OYOJPEHRLIQZNA-CQSZACIVSA-N 1 2 330.287 1.637 20 5 EDBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599565134 450064070 /nfs/dbraw/zinc/06/40/70/450064070.db2.gz OYOJPEHRLIQZNA-CQSZACIVSA-N 1 2 330.287 1.637 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599530484 450044710 /nfs/dbraw/zinc/04/47/10/450044710.db2.gz YJQWIJZQMBCWHG-QWRGUYRKSA-N 1 2 345.193 1.390 20 5 EDBDLO CNC(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599539472 450047769 /nfs/dbraw/zinc/04/77/69/450047769.db2.gz FQPAVXFAXRXAMP-JSGCOSHPSA-N 1 2 336.392 1.594 20 5 EDBDLO CNC(=O)NC[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599539472 450047772 /nfs/dbraw/zinc/04/77/72/450047772.db2.gz FQPAVXFAXRXAMP-JSGCOSHPSA-N 1 2 336.392 1.594 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000601738732 450204276 /nfs/dbraw/zinc/20/42/76/450204276.db2.gz 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C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000595582738 450247220 /nfs/dbraw/zinc/24/72/20/450247220.db2.gz SEJJRARXQDXTCK-KGLIPLIRSA-N 1 2 348.403 1.772 20 5 EDBDLO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000603677415 450340347 /nfs/dbraw/zinc/34/03/47/450340347.db2.gz KEBABVVIMKWCRY-MRXNPFEDSA-N 1 2 343.343 1.649 20 5 EDBDLO O=C(N[C@@H]1CC[S@@](=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000080809543 491017009 /nfs/dbraw/zinc/01/70/09/491017009.db2.gz DCBOSCVULJUFHR-BGJPBQGDSA-N 1 2 334.357 1.031 20 5 EDBDLO CCc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH]n1 ZINC000732790225 578728881 /nfs/dbraw/zinc/72/88/81/578728881.db2.gz DMSCONJIQXJWNE-UHFFFAOYSA-N 1 2 340.343 1.996 20 5 EDBDLO CCc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000732790225 578728883 /nfs/dbraw/zinc/72/88/83/578728883.db2.gz DMSCONJIQXJWNE-UHFFFAOYSA-N 1 2 340.343 1.996 20 5 EDBDLO O=C(N1CCCC1)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750032360 579749155 /nfs/dbraw/zinc/74/91/55/579749155.db2.gz JBGXZYWESZFEIE-INIZCTEOSA-N 1 2 348.403 1.462 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000754046816 579894716 /nfs/dbraw/zinc/89/47/16/579894716.db2.gz KNSYRFCNANZVGZ-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000754046816 579894717 /nfs/dbraw/zinc/89/47/17/579894717.db2.gz KNSYRFCNANZVGZ-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590787 580422908 /nfs/dbraw/zinc/42/29/08/580422908.db2.gz IARNFCBCXBFHDC-QGZVFWFLSA-N 1 2 343.383 1.876 20 5 EDBDLO C[N@H+](CC(=O)NCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590787 580422909 /nfs/dbraw/zinc/42/29/09/580422909.db2.gz IARNFCBCXBFHDC-QGZVFWFLSA-N 1 2 343.383 1.876 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776593093 580423245 /nfs/dbraw/zinc/42/32/45/580423245.db2.gz WIEBWFSEOPFBEN-GWCFXTLKSA-N 1 2 336.348 1.851 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776593093 580423246 /nfs/dbraw/zinc/42/32/46/580423246.db2.gz WIEBWFSEOPFBEN-GWCFXTLKSA-N 1 2 336.348 1.851 20 5 EDBDLO CCN(CC)C(=O)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780763959 580533328 /nfs/dbraw/zinc/53/33/28/580533328.db2.gz RYWIQABYNHYUEG-MRXNPFEDSA-N 1 2 345.403 1.876 20 5 EDBDLO COc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c([N+](=O)[O-])cc1F ZINC000782004609 580563702 /nfs/dbraw/zinc/56/37/02/580563702.db2.gz NQVUCJYNFCVFPW-UHFFFAOYSA-N 1 2 339.323 1.817 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000791017807 580783044 /nfs/dbraw/zinc/78/30/44/580783044.db2.gz JYFYGEPNULBLDA-LLVKDONJSA-N 1 2 325.340 1.527 20 5 EDBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794701294 580903413 /nfs/dbraw/zinc/90/34/13/580903413.db2.gz IMBFILNFTSSLGA-MEDUHNTESA-N 1 2 347.375 1.485 20 5 EDBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794701294 580903414 /nfs/dbraw/zinc/90/34/14/580903414.db2.gz IMBFILNFTSSLGA-MEDUHNTESA-N 1 2 347.375 1.485 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000794963288 580909035 /nfs/dbraw/zinc/90/90/35/580909035.db2.gz CYJCMTFKPSGZNF-YABSGUDNSA-N 1 2 333.344 1.193 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000794963288 580909036 /nfs/dbraw/zinc/90/90/36/580909036.db2.gz CYJCMTFKPSGZNF-YABSGUDNSA-N 1 2 333.344 1.193 20 5 EDBDLO Nc1c(F)c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000795166850 580914903 /nfs/dbraw/zinc/91/49/03/580914903.db2.gz NTDSJTJZCJLXDD-CQSZACIVSA-N 1 2 335.339 1.989 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000800224560 581048210 /nfs/dbraw/zinc/04/82/10/581048210.db2.gz QPRSZVDEDYGUPR-JTQLQIEISA-N 1 2 326.353 1.319 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000800224560 581048211 /nfs/dbraw/zinc/04/82/11/581048211.db2.gz QPRSZVDEDYGUPR-JTQLQIEISA-N 1 2 326.353 1.319 20 5 EDBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000891994844 590733570 /nfs/dbraw/zinc/73/35/70/590733570.db2.gz CRZGYGLWEBRUQS-CYBMUJFWSA-N 1 2 349.387 1.896 20 5 EDBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000891994844 590733573 /nfs/dbraw/zinc/73/35/73/590733573.db2.gz CRZGYGLWEBRUQS-CYBMUJFWSA-N 1 2 349.387 1.896 20 5 EDBDLO O=C(/C=C/C[NH+]1CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000866853877 590734045 /nfs/dbraw/zinc/73/40/45/590734045.db2.gz JBJTWLXECBYPFU-ZZXKWVIFSA-N 1 2 345.399 1.974 20 5 EDBDLO COc1c(O)ccc(C[N@@H+]2CCSC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000892221779 590871328 /nfs/dbraw/zinc/87/13/28/590871328.db2.gz FTZRBALNNXERFC-NSHDSACASA-N 1 2 328.390 1.609 20 5 EDBDLO COc1c(O)ccc(C[N@H+]2CCSC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000892221779 590871331 /nfs/dbraw/zinc/87/13/31/590871331.db2.gz FTZRBALNNXERFC-NSHDSACASA-N 1 2 328.390 1.609 20 5 EDBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896536069 591501181 /nfs/dbraw/zinc/50/11/81/591501181.db2.gz UXVFHBKPZHQWDZ-KKBVYLPWSA-N 1 2 346.431 1.449 20 5 EDBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896536069 591501184 /nfs/dbraw/zinc/50/11/84/591501184.db2.gz UXVFHBKPZHQWDZ-KKBVYLPWSA-N 1 2 346.431 1.449 20 5 EDBDLO Cn1c[nH+]c(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000898044903 591753454 /nfs/dbraw/zinc/75/34/54/591753454.db2.gz DMWSNGPKXYGYHO-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO COc1ccc(NC(=O)/C=C(\C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000907301261 592591791 /nfs/dbraw/zinc/59/17/91/592591791.db2.gz WFDSBKBXPLESEM-FMIVXFBMSA-N 1 2 335.360 1.820 20 5 EDBDLO CCOCC(=O)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102354 593124614 /nfs/dbraw/zinc/12/46/14/593124614.db2.gz PHRPUINJHKIVDO-UHFFFAOYSA-N 1 2 333.300 1.543 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@](O)(C(F)F)C3)n2)c1 ZINC000840120130 593203485 /nfs/dbraw/zinc/20/34/85/593203485.db2.gz VZRLBWXEBXEAAX-AWEZNQCLSA-N 1 2 339.302 1.513 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@](O)(C(F)F)C3)n2)c1 ZINC000840120130 593203487 /nfs/dbraw/zinc/20/34/87/593203487.db2.gz VZRLBWXEBXEAAX-AWEZNQCLSA-N 1 2 339.302 1.513 20 5 EDBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802244352 593238607 /nfs/dbraw/zinc/23/86/07/593238607.db2.gz NORNUXHYIKZHSE-CQSZACIVSA-N 1 2 348.334 1.981 20 5 EDBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000802244352 593238609 /nfs/dbraw/zinc/23/86/09/593238609.db2.gz NORNUXHYIKZHSE-CQSZACIVSA-N 1 2 348.334 1.981 20 5 EDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839470943 593304059 /nfs/dbraw/zinc/30/40/59/593304059.db2.gz VTGFDPIVVVYLMW-HUUCEWRRSA-N 1 2 333.388 1.313 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811785915 593481977 /nfs/dbraw/zinc/48/19/77/593481977.db2.gz KDJTWRTYLCSBBO-JTQLQIEISA-N 1 2 349.313 1.448 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811785915 593481978 /nfs/dbraw/zinc/48/19/78/593481978.db2.gz KDJTWRTYLCSBBO-JTQLQIEISA-N 1 2 349.313 1.448 20 5 EDBDLO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000817131502 593573832 /nfs/dbraw/zinc/57/38/32/593573832.db2.gz AZZLQIBTEQHSGY-LBPRGKRZSA-N 1 2 327.406 1.529 20 5 EDBDLO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000817131502 593573834 /nfs/dbraw/zinc/57/38/34/593573834.db2.gz AZZLQIBTEQHSGY-LBPRGKRZSA-N 1 2 327.406 1.529 20 5 EDBDLO CCOCc1nc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000819321056 593750652 /nfs/dbraw/zinc/75/06/52/593750652.db2.gz BVJPJYLYZLYLPM-GWCFXTLKSA-N 1 2 336.348 1.899 20 5 EDBDLO Cc1cccc(NCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[nH+]1 ZINC000822323713 594031545 /nfs/dbraw/zinc/03/15/45/594031545.db2.gz NPXMHNAHEPQBPR-UHFFFAOYSA-N 1 2 341.335 1.397 20 5 EDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCNc1cccc[nH+]1 ZINC000823630476 594223179 /nfs/dbraw/zinc/22/31/79/594223179.db2.gz XMVUJYWXUUSZRV-UHFFFAOYSA-N 1 2 326.320 1.694 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)c(-c2nn[nH]n2)c1 ZINC000823647947 594224431 /nfs/dbraw/zinc/22/44/31/594224431.db2.gz QPWWNEZIJDNGAT-UHFFFAOYSA-N 1 2 341.335 1.277 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1F ZINC000867081200 594780119 /nfs/dbraw/zinc/78/01/19/594780119.db2.gz JEEPWBUZSPGODX-UHFFFAOYSA-N 1 2 340.336 1.484 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105609744 595391959 /nfs/dbraw/zinc/39/19/59/595391959.db2.gz LRLAFAXEALYKLM-CQSZACIVSA-N 1 2 334.376 1.442 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105609744 595391961 /nfs/dbraw/zinc/39/19/61/595391961.db2.gz LRLAFAXEALYKLM-CQSZACIVSA-N 1 2 334.376 1.442 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580852 595408484 /nfs/dbraw/zinc/40/84/84/595408484.db2.gz GWFCCIPDKUDGPF-JTQLQIEISA-N 1 2 340.286 1.968 20 5 EDBDLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857937040 595658916 /nfs/dbraw/zinc/65/89/16/595658916.db2.gz JSYONJYQZQODNC-JTQLQIEISA-N 1 2 345.315 1.753 20 5 EDBDLO O=[N+]([O-])c1cn(C[NH+]2CCC3(CC2)OCCO3)nc1-c1ccccn1 ZINC000853489828 595766399 /nfs/dbraw/zinc/76/63/99/595766399.db2.gz JBJKDZNURZQYAA-UHFFFAOYSA-N 1 2 345.359 1.650 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853526253 595785413 /nfs/dbraw/zinc/78/54/13/595785413.db2.gz WOGIOYONWTXJPH-LLVKDONJSA-N 1 2 344.331 1.074 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853526253 595785417 /nfs/dbraw/zinc/78/54/17/595785417.db2.gz WOGIOYONWTXJPH-LLVKDONJSA-N 1 2 344.331 1.074 20 5 EDBDLO C[C@@]12COC[C@H]1C[N@H+](CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 ZINC000853566616 595807186 /nfs/dbraw/zinc/80/71/86/595807186.db2.gz QFGUNRXGWFJVGC-QLJPJBMISA-N 1 2 331.328 1.117 20 5 EDBDLO C[C@@]12COC[C@H]1C[N@@H+](CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 ZINC000853566616 595807191 /nfs/dbraw/zinc/80/71/91/595807191.db2.gz QFGUNRXGWFJVGC-QLJPJBMISA-N 1 2 331.328 1.117 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000858769485 595886470 /nfs/dbraw/zinc/88/64/70/595886470.db2.gz ILTNPPUUSOOKDA-ZDUSSCGKSA-N 1 2 334.376 1.230 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000858769485 595886472 /nfs/dbraw/zinc/88/64/72/595886472.db2.gz ILTNPPUUSOOKDA-ZDUSSCGKSA-N 1 2 334.376 1.230 20 5 EDBDLO CC1(C)OC[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000852093125 596040894 /nfs/dbraw/zinc/04/08/94/596040894.db2.gz CGHLJQHLNOPMAC-CYBMUJFWSA-N 1 2 349.387 1.504 20 5 EDBDLO C/C(=C/C(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000854353481 596049118 /nfs/dbraw/zinc/04/91/18/596049118.db2.gz ZVVCHOHAPLJDNS-VWILAXROSA-N 1 2 344.415 1.504 20 5 EDBDLO C/C(=C/C(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000854353481 596049121 /nfs/dbraw/zinc/04/91/21/596049121.db2.gz ZVVCHOHAPLJDNS-VWILAXROSA-N 1 2 344.415 1.504 20 5 EDBDLO COc1cc(C[NH+]2CCN(c3cc(F)ncn3)CC2)ccc1[N+](=O)[O-] ZINC000852133285 596057222 /nfs/dbraw/zinc/05/72/22/596057222.db2.gz ZCMDBRXNBUFGHR-UHFFFAOYSA-N 1 2 347.350 1.855 20 5 EDBDLO CC1=NO[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000854789946 596198583 /nfs/dbraw/zinc/19/85/83/596198583.db2.gz HYMXYYARCYYOKU-LBPRGKRZSA-N 1 2 329.316 1.675 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863755748 596675195 /nfs/dbraw/zinc/67/51/95/596675195.db2.gz ZTHHPKQQCBTELG-VXGBXAGGSA-N 1 2 342.311 1.026 20 5 EDBDLO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000865925879 596724245 /nfs/dbraw/zinc/72/42/45/596724245.db2.gz NWSDCHUYTYHWSQ-LBPRGKRZSA-N 1 2 341.433 1.919 20 5 EDBDLO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000865925879 596724247 /nfs/dbraw/zinc/72/42/47/596724247.db2.gz NWSDCHUYTYHWSQ-LBPRGKRZSA-N 1 2 341.433 1.919 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069927 596734496 /nfs/dbraw/zinc/73/44/96/596734496.db2.gz GKHBVRLZHMAYPJ-OAHLLOKOSA-N 1 2 349.387 1.076 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000872773514 597062858 /nfs/dbraw/zinc/06/28/58/597062858.db2.gz OAEZTOOWPXSQMI-LBPRGKRZSA-N 1 2 327.356 1.749 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000872773514 597062862 /nfs/dbraw/zinc/06/28/62/597062862.db2.gz OAEZTOOWPXSQMI-LBPRGKRZSA-N 1 2 327.356 1.749 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000874698402 597141090 /nfs/dbraw/zinc/14/10/90/597141090.db2.gz CQKGKMJAXYEPLX-ZDUSSCGKSA-N 1 2 336.392 1.477 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000874698402 597141092 /nfs/dbraw/zinc/14/10/92/597141092.db2.gz CQKGKMJAXYEPLX-ZDUSSCGKSA-N 1 2 336.392 1.477 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)n1 ZINC000874893505 597211923 /nfs/dbraw/zinc/21/19/23/597211923.db2.gz SSWYJNIMXVBQQW-LBPRGKRZSA-N 1 2 333.323 1.254 20 5 EDBDLO Cc1nnc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1C ZINC000879191604 597845343 /nfs/dbraw/zinc/84/53/43/597845343.db2.gz FPNFKKIYGUAKSN-UHFFFAOYSA-N 1 2 330.392 1.662 20 5 EDBDLO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000882763494 598047048 /nfs/dbraw/zinc/04/70/48/598047048.db2.gz PTDVUSPOCQCLCW-LBPRGKRZSA-N 1 2 327.406 1.530 20 5 EDBDLO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000882763494 598047050 /nfs/dbraw/zinc/04/70/50/598047050.db2.gz PTDVUSPOCQCLCW-LBPRGKRZSA-N 1 2 327.406 1.530 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000915826947 696032822 /nfs/dbraw/zinc/03/28/22/696032822.db2.gz FUBREAYDDJNQSG-QWHCGFSZSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000915826947 696032825 /nfs/dbraw/zinc/03/28/25/696032825.db2.gz FUBREAYDDJNQSG-QWHCGFSZSA-N 1 2 336.392 1.676 20 5 EDBDLO Cc1conc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001032108617 698910440 /nfs/dbraw/zinc/91/04/40/698910440.db2.gz VPCAGZKSCBPROL-UHFFFAOYSA-N 1 2 330.344 1.753 20 5 EDBDLO COCC[NH+](CCOC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000083104508 700308335 /nfs/dbraw/zinc/30/83/35/700308335.db2.gz MJTYQQZKLNZAPJ-UHFFFAOYSA-N 1 2 335.364 1.406 20 5 EDBDLO CN(C(=O)C1CC=CC1)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005197816 708173075 /nfs/dbraw/zinc/17/30/75/708173075.db2.gz IQLJVYFOFGBZHM-UHFFFAOYSA-N 1 2 347.419 1.717 20 5 EDBDLO O=C(NC1CC[NH+](Cc2cc(C3CC3)no2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787137 709393277 /nfs/dbraw/zinc/39/32/77/709393277.db2.gz GCSWGNOTAOXHHV-UKRRQHHQSA-N 1 2 334.376 1.298 20 5 EDBDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000922027376 709453420 /nfs/dbraw/zinc/45/34/20/709453420.db2.gz XCBYLPVMNKMTDW-ZDUSSCGKSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000922027376 709453422 /nfs/dbraw/zinc/45/34/22/709453422.db2.gz XCBYLPVMNKMTDW-ZDUSSCGKSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(=O)NC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000050990611 214075185 /nfs/dbraw/zinc/07/51/85/214075185.db2.gz XXHGGINUPATKCF-UHFFFAOYSA-N 1 2 345.359 1.745 20 5 EDBDLO CN(CC[NH+]1CCOCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171476961 529911853 /nfs/dbraw/zinc/91/18/53/529911853.db2.gz WTHCWNGNPFYGET-UHFFFAOYSA-N 1 2 334.376 1.248 20 5 EDBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 ZINC000066493619 215047625 /nfs/dbraw/zinc/04/76/25/215047625.db2.gz SPENKZQHVGVJMD-AWEZNQCLSA-N 1 2 342.417 1.539 20 5 EDBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 ZINC000066493619 215047628 /nfs/dbraw/zinc/04/76/28/215047628.db2.gz SPENKZQHVGVJMD-AWEZNQCLSA-N 1 2 342.417 1.539 20 5 EDBDLO CC(=O)NC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067378755 215137746 /nfs/dbraw/zinc/13/77/46/215137746.db2.gz XJKPVIQIWZUJEK-INIZCTEOSA-N 1 2 346.387 1.301 20 5 EDBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc[nH+]1 ZINC000067840340 215226230 /nfs/dbraw/zinc/22/62/30/215226230.db2.gz HHJYWCJUAONGSV-UHFFFAOYSA-N 1 2 335.341 1.954 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000412735608 304032529 /nfs/dbraw/zinc/03/25/29/304032529.db2.gz VRWMSHWSFNPVPT-TXEJJXNPSA-N 1 2 344.327 1.462 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332221906 283011386 /nfs/dbraw/zinc/01/13/86/283011386.db2.gz JOFFLVHTGLRYNX-CHWSQXEVSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000332221906 283011387 /nfs/dbraw/zinc/01/13/87/283011387.db2.gz JOFFLVHTGLRYNX-CHWSQXEVSA-N 1 2 325.752 1.403 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000413005400 304049248 /nfs/dbraw/zinc/04/92/48/304049248.db2.gz YXMFCIPREQFBIC-LLVKDONJSA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000413005400 304049251 /nfs/dbraw/zinc/04/92/51/304049251.db2.gz YXMFCIPREQFBIC-LLVKDONJSA-N 1 2 334.332 1.132 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000173931317 237271536 /nfs/dbraw/zinc/27/15/36/237271536.db2.gz MZONSMQTQSPQRD-UHFFFAOYSA-N 1 2 332.360 1.779 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000078541769 217071687 /nfs/dbraw/zinc/07/16/87/217071687.db2.gz OYPLSYZEUPGBIT-UHFFFAOYSA-N 1 2 325.390 1.067 20 5 EDBDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000097042321 218926724 /nfs/dbraw/zinc/92/67/24/218926724.db2.gz IHLZSZPURCNILX-UHFFFAOYSA-N 1 2 335.404 1.642 20 5 EDBDLO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173789124 533137694 /nfs/dbraw/zinc/13/76/94/533137694.db2.gz CRULWTZPBFEHOB-CJNGLKHVSA-N 1 2 348.403 1.772 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489271224 255066196 /nfs/dbraw/zinc/06/61/96/255066196.db2.gz SAESBOILJXKPHW-UHFFFAOYSA-N 1 2 333.319 1.790 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489271224 255066198 /nfs/dbraw/zinc/06/61/98/255066198.db2.gz SAESBOILJXKPHW-UHFFFAOYSA-N 1 2 333.319 1.790 20 5 EDBDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000263960112 139372327 /nfs/dbraw/zinc/37/23/27/139372327.db2.gz OECFTLDKKOFETC-JTQLQIEISA-N 1 2 337.332 1.373 20 5 EDBDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000263960112 139372328 /nfs/dbraw/zinc/37/23/28/139372328.db2.gz OECFTLDKKOFETC-JTQLQIEISA-N 1 2 337.332 1.373 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271389368 140289319 /nfs/dbraw/zinc/28/93/19/140289319.db2.gz SSWCMIBVUXYDCZ-LLVKDONJSA-N 1 2 347.400 1.961 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271389368 140289322 /nfs/dbraw/zinc/28/93/22/140289322.db2.gz SSWCMIBVUXYDCZ-LLVKDONJSA-N 1 2 347.400 1.961 20 5 EDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998968 141108840 /nfs/dbraw/zinc/10/88/40/141108840.db2.gz NNTXQWKQLIGCLQ-QNXDBWELSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998968 141108842 /nfs/dbraw/zinc/10/88/42/141108842.db2.gz NNTXQWKQLIGCLQ-QNXDBWELSA-N 1 2 342.417 1.177 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416456241 304321278 /nfs/dbraw/zinc/32/12/78/304321278.db2.gz VZQUSDJDDNVASA-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416456241 304321279 /nfs/dbraw/zinc/32/12/79/304321279.db2.gz 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CCOC(=O)C(CC)(CC)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000429292405 305027815 /nfs/dbraw/zinc/02/78/15/305027815.db2.gz XCKKKBSGPNDIRM-UHFFFAOYSA-N 1 2 325.365 1.468 20 5 EDBDLO CCOC(=O)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448948825 305305507 /nfs/dbraw/zinc/30/55/07/305305507.db2.gz GDBAPOLXYKADPL-LLVKDONJSA-N 1 2 346.343 1.804 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452063233 305381415 /nfs/dbraw/zinc/38/14/15/305381415.db2.gz APXKWHLOGGLHFU-NTZNESFSSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452063233 305381416 /nfs/dbraw/zinc/38/14/16/305381416.db2.gz APXKWHLOGGLHFU-NTZNESFSSA-N 1 2 337.376 1.633 20 5 EDBDLO CC(C)(CO)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452430692 305398486 /nfs/dbraw/zinc/39/84/86/305398486.db2.gz KYPGMWVXBOGSPU-UHFFFAOYSA-N 1 2 332.360 1.919 20 5 EDBDLO CNc1nc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000456027029 305450203 /nfs/dbraw/zinc/45/02/03/305450203.db2.gz FVGNGUPCMNTNCU-GFCCVEGCSA-N 1 2 344.375 1.988 20 5 EDBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000532143757 305974917 /nfs/dbraw/zinc/97/49/17/305974917.db2.gz CIDYXNQADJZQEY-UHFFFAOYSA-N 1 2 329.238 1.679 20 5 EDBDLO C[N@H+](CCN1CCCC1=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535724333 306014896 /nfs/dbraw/zinc/01/48/96/306014896.db2.gz OTNVGBXFEYEKKP-HNNXBMFYSA-N 1 2 346.387 1.254 20 5 EDBDLO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535724333 306014897 /nfs/dbraw/zinc/01/48/97/306014897.db2.gz OTNVGBXFEYEKKP-HNNXBMFYSA-N 1 2 346.387 1.254 20 5 EDBDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000543542120 306064735 /nfs/dbraw/zinc/06/47/35/306064735.db2.gz MZRHBXRGQFXARJ-RNCFNFMXSA-N 1 2 331.332 1.742 20 5 EDBDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000044406579 440845110 /nfs/dbraw/zinc/84/51/10/440845110.db2.gz QEEIUWWEVZOZBY-UHFFFAOYSA-N 1 2 348.384 1.818 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000045897752 441056729 /nfs/dbraw/zinc/05/67/29/441056729.db2.gz OEFYBAZJXMPYIW-UHFFFAOYSA-N 1 2 338.327 1.809 20 5 EDBDLO C[C@@H]1CCC[N@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000047146546 441158851 /nfs/dbraw/zinc/15/88/51/441158851.db2.gz YGWUFWFVNRWSQS-LLVKDONJSA-N 1 2 331.376 1.933 20 5 EDBDLO C[C@@H]1CCC[N@@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000047146546 441158856 /nfs/dbraw/zinc/15/88/56/441158856.db2.gz YGWUFWFVNRWSQS-LLVKDONJSA-N 1 2 331.376 1.933 20 5 EDBDLO CC[N@H+](CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048245572 441277727 /nfs/dbraw/zinc/27/77/27/441277727.db2.gz JGMXHPKNGCWCBK-UHFFFAOYSA-N 1 2 332.364 1.219 20 5 EDBDLO CC[N@@H+](CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048245572 441277730 /nfs/dbraw/zinc/27/77/30/441277730.db2.gz JGMXHPKNGCWCBK-UHFFFAOYSA-N 1 2 332.364 1.219 20 5 EDBDLO CCn1c(CCNc2ncc([N+](=O)[O-])c(N)n2)[nH+]c2ccccc21 ZINC000065228840 441408270 /nfs/dbraw/zinc/40/82/70/441408270.db2.gz ISJSVDDQDMNLOE-UHFFFAOYSA-N 1 2 327.348 1.991 20 5 EDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700361 441518301 /nfs/dbraw/zinc/51/83/01/441518301.db2.gz XSZNKDOTQUJKQX-CQSZACIVSA-N 1 2 334.420 1.940 20 5 EDBDLO CCOC(=O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000066423364 441530975 /nfs/dbraw/zinc/53/09/75/441530975.db2.gz JOJXYZXJKFTSOP-CQSZACIVSA-N 1 2 340.376 1.608 20 5 EDBDLO CCOC(=O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000066423364 441530978 /nfs/dbraw/zinc/53/09/78/441530978.db2.gz JOJXYZXJKFTSOP-CQSZACIVSA-N 1 2 340.376 1.608 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])o1 ZINC000032247822 441547970 /nfs/dbraw/zinc/54/79/70/441547970.db2.gz GMCTXMUXQUFJIS-CQSZACIVSA-N 1 2 345.355 1.819 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])o1 ZINC000032247822 441547973 /nfs/dbraw/zinc/54/79/73/441547973.db2.gz GMCTXMUXQUFJIS-CQSZACIVSA-N 1 2 345.355 1.819 20 5 EDBDLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041638766 441666062 /nfs/dbraw/zinc/66/60/62/441666062.db2.gz XZBASARTMDQYDM-UHFFFAOYSA-N 1 2 343.343 1.311 20 5 EDBDLO COc1ccc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000114465293 441659992 /nfs/dbraw/zinc/65/99/92/441659992.db2.gz VYJSPMIKANBVFR-UHFFFAOYSA-N 1 2 347.375 1.613 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858224 441692281 /nfs/dbraw/zinc/69/22/81/441692281.db2.gz RMPMDNLFAUFURI-CYBMUJFWSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858224 441692286 /nfs/dbraw/zinc/69/22/86/441692286.db2.gz RMPMDNLFAUFURI-CYBMUJFWSA-N 1 2 335.360 1.196 20 5 EDBDLO Cc1noc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000076964701 441699914 /nfs/dbraw/zinc/69/99/14/441699914.db2.gz GEKITHIEAZPWNM-UHFFFAOYSA-N 1 2 331.376 1.912 20 5 EDBDLO O=C(c1cccc(F)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174817765 441971550 /nfs/dbraw/zinc/97/15/50/441971550.db2.gz JCUKSEGCWPBBCF-UHFFFAOYSA-N 1 2 347.350 1.388 20 5 EDBDLO C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000161528515 442009391 /nfs/dbraw/zinc/00/93/91/442009391.db2.gz GYDZGPYFWWSEDR-TZMCWYRMSA-N 1 2 347.379 1.281 20 5 EDBDLO Cc1noc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000125321375 442009979 /nfs/dbraw/zinc/00/99/79/442009979.db2.gz SBMGXNRBCNUYAR-UHFFFAOYSA-N 1 2 331.376 1.912 20 5 EDBDLO O=c1n2ccccc2nn1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153036161 442258120 /nfs/dbraw/zinc/25/81/20/442258120.db2.gz AUKTUKOODQHCQM-UHFFFAOYSA-N 1 2 339.355 1.463 20 5 EDBDLO O=c1n2ccccc2nn1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153036161 442258122 /nfs/dbraw/zinc/25/81/22/442258122.db2.gz AUKTUKOODQHCQM-UHFFFAOYSA-N 1 2 339.355 1.463 20 5 EDBDLO COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000133065672 442406194 /nfs/dbraw/zinc/40/61/94/442406194.db2.gz RGKDJIUSSNFLRG-UHFFFAOYSA-N 1 2 342.355 1.961 20 5 EDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134540783 442493408 /nfs/dbraw/zinc/49/34/08/442493408.db2.gz YUGDGTDVYOCPDH-UHFFFAOYSA-N 1 2 330.391 1.564 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179454008 442459345 /nfs/dbraw/zinc/45/93/45/442459345.db2.gz HDBWPWNRNFORQC-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179454008 442459350 /nfs/dbraw/zinc/45/93/50/442459350.db2.gz HDBWPWNRNFORQC-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO NC(=O)CN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179833343 442509443 /nfs/dbraw/zinc/50/94/43/442509443.db2.gz KKCAUHUQCICJOF-UHFFFAOYSA-N 1 2 344.371 1.458 20 5 EDBDLO Cc1cccn2cc(C[S@@](=O)CCn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000157638832 442600006 /nfs/dbraw/zinc/60/00/06/442600006.db2.gz NBQAMRMELXCVDN-HSZRJFAPSA-N 1 2 333.373 1.696 20 5 EDBDLO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157757324 442610632 /nfs/dbraw/zinc/61/06/32/442610632.db2.gz CSHVIOVGWDGZGS-UHFFFAOYSA-N 1 2 337.376 1.531 20 5 EDBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C(N)=O)C1 ZINC000187436090 442676726 /nfs/dbraw/zinc/67/67/26/442676726.db2.gz ZVLFLCPPNUXMHX-MFKMUULPSA-N 1 2 345.359 1.731 20 5 EDBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C(N)=O)C1 ZINC000187436090 442676729 /nfs/dbraw/zinc/67/67/29/442676729.db2.gz ZVLFLCPPNUXMHX-MFKMUULPSA-N 1 2 345.359 1.731 20 5 EDBDLO CSc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000192686686 442677074 /nfs/dbraw/zinc/67/70/74/442677074.db2.gz MNAZVQVXQLWGEA-NSHDSACASA-N 1 2 339.417 1.767 20 5 EDBDLO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187578799 442681816 /nfs/dbraw/zinc/68/18/16/442681816.db2.gz YIKMPHBPSMPEAU-LBPRGKRZSA-N 1 2 336.392 1.056 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000182000711 442726587 /nfs/dbraw/zinc/72/65/87/442726587.db2.gz GNLUFUXIQYCAGA-IHRRRGAJSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1 ZINC000182000711 442726589 /nfs/dbraw/zinc/72/65/89/442726589.db2.gz GNLUFUXIQYCAGA-IHRRRGAJSA-N 1 2 349.387 1.078 20 5 EDBDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193631266 442761405 /nfs/dbraw/zinc/76/14/05/442761405.db2.gz RHQPAVURDHGCTD-NOZJJQNGSA-N 1 2 331.332 1.259 20 5 EDBDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193631317 442761667 /nfs/dbraw/zinc/76/16/67/442761667.db2.gz RHQPAVURDHGCTD-ZANVPECISA-N 1 2 331.332 1.259 20 5 EDBDLO C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000193702558 442769565 /nfs/dbraw/zinc/76/95/65/442769565.db2.gz AYLKNOHRHCUBIJ-GXFFZTMASA-N 1 2 331.332 1.615 20 5 EDBDLO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000267870261 442773491 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ZINC000741141867 579398640 /nfs/dbraw/zinc/39/86/40/579398640.db2.gz LSLFIBOPCJMRTP-QHCPKHFHSA-N 1 2 339.417 1.040 20 5 EDBDLO CC1(O)CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000759752564 580013930 /nfs/dbraw/zinc/01/39/30/580013930.db2.gz XSLWRPHAPBDPLY-UHFFFAOYSA-N 1 2 348.359 1.168 20 5 EDBDLO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000788024140 578566231 /nfs/dbraw/zinc/56/62/31/578566231.db2.gz PMSKLEZSIGQQPE-UHFFFAOYSA-N 1 2 349.343 1.584 20 5 EDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511671 580058480 /nfs/dbraw/zinc/05/84/80/580058480.db2.gz NNHWTQVWQLIKOZ-JOCHJYFZSA-N 1 2 345.852 1.744 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000777567764 580445064 /nfs/dbraw/zinc/44/50/64/580445064.db2.gz SRCGKGNJERCHPP-SECBINFHSA-N 1 2 335.286 1.058 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000777567764 580445065 /nfs/dbraw/zinc/44/50/65/580445065.db2.gz SRCGKGNJERCHPP-SECBINFHSA-N 1 2 335.286 1.058 20 5 EDBDLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000747782673 579658005 /nfs/dbraw/zinc/65/80/05/579658005.db2.gz PVUFPCKEZTXURA-LLVKDONJSA-N 1 2 348.315 1.269 20 5 EDBDLO CC(=O)NCCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000762245675 580070597 /nfs/dbraw/zinc/07/05/97/580070597.db2.gz QSZAHDUZRDJPBI-UHFFFAOYSA-N 1 2 342.315 1.509 20 5 EDBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000762552070 580077297 /nfs/dbraw/zinc/07/72/97/580077297.db2.gz QAWXEVWQFQTQFS-UHFFFAOYSA-N 1 2 343.380 1.664 20 5 EDBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000762552070 580077298 /nfs/dbraw/zinc/07/72/98/580077298.db2.gz QAWXEVWQFQTQFS-UHFFFAOYSA-N 1 2 343.380 1.664 20 5 EDBDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000764205002 580115560 /nfs/dbraw/zinc/11/55/60/580115560.db2.gz RCHJEUXEWXYCAE-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000764205002 580115561 /nfs/dbraw/zinc/11/55/61/580115561.db2.gz RCHJEUXEWXYCAE-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775063238 580381981 /nfs/dbraw/zinc/38/19/81/580381981.db2.gz OSKYVNWGPNJLCQ-LBPRGKRZSA-N 1 2 349.347 1.539 20 5 EDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775063238 580381982 /nfs/dbraw/zinc/38/19/82/580381982.db2.gz OSKYVNWGPNJLCQ-LBPRGKRZSA-N 1 2 349.347 1.539 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](n4cncn4)C3)n2)c1 ZINC000776775989 580428854 /nfs/dbraw/zinc/42/88/54/580428854.db2.gz QWBICQMEVSMCAS-AWEZNQCLSA-N 1 2 340.347 1.349 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](n4cncn4)C3)n2)c1 ZINC000776775989 580428855 /nfs/dbraw/zinc/42/88/55/580428855.db2.gz QWBICQMEVSMCAS-AWEZNQCLSA-N 1 2 340.347 1.349 20 5 EDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000779561534 580489405 /nfs/dbraw/zinc/48/94/05/580489405.db2.gz CCOLXHYTHOFCQL-VIFPVBQESA-N 1 2 338.345 1.133 20 5 EDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000793704933 580852679 /nfs/dbraw/zinc/85/26/79/580852679.db2.gz KJUJEHLMAFBAEA-NSHDSACASA-N 1 2 338.389 1.269 20 5 EDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000793704933 580852680 /nfs/dbraw/zinc/85/26/80/580852680.db2.gz KJUJEHLMAFBAEA-NSHDSACASA-N 1 2 338.389 1.269 20 5 EDBDLO CC1(C)[C@@H]2C[N@@H+](Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)C[C@@H]21 ZINC000794631515 580900745 /nfs/dbraw/zinc/90/07/45/580900745.db2.gz FMQDROOFQBVBAE-TXEJJXNPSA-N 1 2 330.344 1.957 20 5 EDBDLO CC1(C)[C@@H]2C[N@H+](Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)C[C@@H]21 ZINC000794631515 580900746 /nfs/dbraw/zinc/90/07/46/580900746.db2.gz FMQDROOFQBVBAE-TXEJJXNPSA-N 1 2 330.344 1.957 20 5 EDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000799055745 581015009 /nfs/dbraw/zinc/01/50/09/581015009.db2.gz DLFVDSLDVNHYCD-UHFFFAOYSA-N 1 2 341.371 1.843 20 5 EDBDLO COc1cc(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000800214403 581047863 /nfs/dbraw/zinc/04/78/63/581047863.db2.gz KLQBRBQLPFOVLX-LLVKDONJSA-N 1 2 338.360 1.789 20 5 EDBDLO COc1cc(C(=O)OCC[N@H+]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000800214403 581047864 /nfs/dbraw/zinc/04/78/64/581047864.db2.gz KLQBRBQLPFOVLX-LLVKDONJSA-N 1 2 338.360 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)cc1 ZINC000891462887 591080323 /nfs/dbraw/zinc/08/03/23/591080323.db2.gz VPMRFDBHTVOFGJ-UHFFFAOYSA-N 1 2 343.387 1.644 20 5 EDBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000891618982 591152205 /nfs/dbraw/zinc/15/22/05/591152205.db2.gz XJDJFLBREIWZTO-UHFFFAOYSA-N 1 2 333.348 1.617 20 5 EDBDLO O=[N+]([O-])c1cc2c(nc1N1CCN(c3cc[nH+]nc3)CC1)CCCC2 ZINC000895960778 591310767 /nfs/dbraw/zinc/31/07/67/591310767.db2.gz WUWVXAHPGBTOTA-UHFFFAOYSA-N 1 2 340.387 1.985 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000898491275 591375689 /nfs/dbraw/zinc/37/56/89/591375689.db2.gz LINVEIZAVRJPCR-LLVKDONJSA-N 1 2 325.340 1.767 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898491275 591375692 /nfs/dbraw/zinc/37/56/92/591375692.db2.gz LINVEIZAVRJPCR-LLVKDONJSA-N 1 2 325.340 1.767 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1C ZINC000899066404 591660116 /nfs/dbraw/zinc/66/01/16/591660116.db2.gz QWDLLHCXYFGSOH-UHFFFAOYSA-N 1 2 349.387 1.390 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1C ZINC000899066404 591660119 /nfs/dbraw/zinc/66/01/19/591660119.db2.gz QWDLLHCXYFGSOH-UHFFFAOYSA-N 1 2 349.387 1.390 20 5 EDBDLO COC[C@@H]1CC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000840083247 593142825 /nfs/dbraw/zinc/14/28/25/593142825.db2.gz LNKOHDJWYUZBBQ-ZDUSSCGKSA-N 1 2 334.332 1.042 20 5 EDBDLO COC[C@@H]1CC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000840083247 593142828 /nfs/dbraw/zinc/14/28/28/593142828.db2.gz LNKOHDJWYUZBBQ-ZDUSSCGKSA-N 1 2 334.332 1.042 20 5 EDBDLO CCOCC[NH+]1CC(OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000802774965 593277981 /nfs/dbraw/zinc/27/79/81/593277981.db2.gz AQQUMEMEJYYZPE-UHFFFAOYSA-N 1 2 348.359 1.208 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)c1F ZINC000803460303 593331660 /nfs/dbraw/zinc/33/16/60/593331660.db2.gz HGVZEYWLNNYVSL-NSHDSACASA-N 1 2 326.324 1.920 20 5 EDBDLO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)CCO1 ZINC000839574037 593341217 /nfs/dbraw/zinc/34/12/17/593341217.db2.gz FJQKCGFPOSKPKN-APHBMKBZSA-N 1 2 333.388 1.189 20 5 EDBDLO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)CCO1 ZINC000839574037 593341219 /nfs/dbraw/zinc/34/12/19/593341219.db2.gz FJQKCGFPOSKPKN-APHBMKBZSA-N 1 2 333.388 1.189 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1Br ZINC000839579029 593342860 /nfs/dbraw/zinc/34/28/60/593342860.db2.gz RPWOGVQTZUEFOW-ZYHUDNBSSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1Br ZINC000839579029 593342861 /nfs/dbraw/zinc/34/28/61/593342861.db2.gz RPWOGVQTZUEFOW-ZYHUDNBSSA-N 1 2 345.193 1.532 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000817086318 593570077 /nfs/dbraw/zinc/57/00/77/593570077.db2.gz NWKXPBJHIPRWRJ-UHFFFAOYSA-N 1 2 345.311 1.506 20 5 EDBDLO CC(=O)N[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000817367223 593595965 /nfs/dbraw/zinc/59/59/65/593595965.db2.gz FLRIIIVYVPJCET-NSHDSACASA-N 1 2 337.767 1.766 20 5 EDBDLO CC(=O)N[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000817367223 593595967 /nfs/dbraw/zinc/59/59/67/593595967.db2.gz FLRIIIVYVPJCET-NSHDSACASA-N 1 2 337.767 1.766 20 5 EDBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC000840326412 593603988 /nfs/dbraw/zinc/60/39/88/593603988.db2.gz DQYLJIJMCAUCPP-UHFFFAOYSA-N 1 2 329.360 1.875 20 5 EDBDLO COc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000820675278 593860446 /nfs/dbraw/zinc/86/04/46/593860446.db2.gz GOAPFNQCCWHOMR-CYBMUJFWSA-N 1 2 339.392 1.041 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820838393 593902421 /nfs/dbraw/zinc/90/24/21/593902421.db2.gz XPSNFGDKLGUXFY-CQSZACIVSA-N 1 2 333.388 1.758 20 5 EDBDLO COC(=O)C[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822863359 594112966 /nfs/dbraw/zinc/11/29/66/594112966.db2.gz PFKLIDWEGQTSBF-VIFPVBQESA-N 1 2 336.304 1.140 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000825927589 594283105 /nfs/dbraw/zinc/28/31/05/594283105.db2.gz GDMJMRKWLNQMOM-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000825927589 594283107 /nfs/dbraw/zinc/28/31/07/594283107.db2.gz GDMJMRKWLNQMOM-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO C[N@@H+]1CCn2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000829440266 594613278 /nfs/dbraw/zinc/61/32/78/594613278.db2.gz ASFQHEWOQJSFDK-UHFFFAOYSA-N 1 2 329.360 1.808 20 5 EDBDLO C[N@H+]1CCn2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000829440266 594613279 /nfs/dbraw/zinc/61/32/79/594613279.db2.gz ASFQHEWOQJSFDK-UHFFFAOYSA-N 1 2 329.360 1.808 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000831782466 594702632 /nfs/dbraw/zinc/70/26/32/594702632.db2.gz NPGZROCCIIKRAN-LSDHHAIUSA-N 1 2 342.417 1.527 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000831782466 594702633 /nfs/dbraw/zinc/70/26/33/594702633.db2.gz NPGZROCCIIKRAN-LSDHHAIUSA-N 1 2 342.417 1.527 20 5 EDBDLO O=C(OC[C@H]1CCCNC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000835984241 594903514 /nfs/dbraw/zinc/90/35/14/594903514.db2.gz GWZQOXOXOVFBRZ-GFCCVEGCSA-N 1 2 344.327 1.464 20 5 EDBDLO NC(COC[C@H]1CCOC1)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000842660019 595162305 /nfs/dbraw/zinc/16/23/05/595162305.db2.gz FXTMWHNPCGCCJY-LBPRGKRZSA-N 1 2 339.348 1.525 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845450054 595499258 /nfs/dbraw/zinc/49/92/58/595499258.db2.gz UMTWIMAQOFYUKG-UHFFFAOYSA-N 1 2 333.348 1.418 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853137578 595675773 /nfs/dbraw/zinc/67/57/73/595675773.db2.gz IYEWOELDJKSRSR-UHFFFAOYSA-N 1 2 336.392 1.170 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000858292722 595754659 /nfs/dbraw/zinc/75/46/59/595754659.db2.gz LZYQYRRWDYCJIS-LBPRGKRZSA-N 1 2 342.783 1.378 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000858292722 595754662 /nfs/dbraw/zinc/75/46/62/595754662.db2.gz LZYQYRRWDYCJIS-LBPRGKRZSA-N 1 2 342.783 1.378 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853538817 595790834 /nfs/dbraw/zinc/79/08/34/595790834.db2.gz JVPJLRBKBDVHFX-NSHDSACASA-N 1 2 346.347 1.132 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853538817 595790837 /nfs/dbraw/zinc/79/08/37/595790837.db2.gz JVPJLRBKBDVHFX-NSHDSACASA-N 1 2 346.347 1.132 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000858685947 595864959 /nfs/dbraw/zinc/86/49/59/595864959.db2.gz JKYCKHWWUDPWBD-MRXNPFEDSA-N 1 2 339.367 1.762 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000858685947 595864962 /nfs/dbraw/zinc/86/49/62/595864962.db2.gz JKYCKHWWUDPWBD-MRXNPFEDSA-N 1 2 339.367 1.762 20 5 EDBDLO CCOC[C@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000113923363 595905807 /nfs/dbraw/zinc/90/58/07/595905807.db2.gz BOJPAJPVZKHTFE-LBPRGKRZSA-N 1 2 347.371 1.897 20 5 EDBDLO CCOC[C@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000113923363 595905811 /nfs/dbraw/zinc/90/58/11/595905811.db2.gz BOJPAJPVZKHTFE-LBPRGKRZSA-N 1 2 347.371 1.897 20 5 EDBDLO O=C(C[N@@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852299682 596117955 /nfs/dbraw/zinc/11/79/55/596117955.db2.gz YIEUMURUFLTNQM-UHFFFAOYSA-N 1 2 330.344 1.403 20 5 EDBDLO O=C(C[N@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852299682 596117959 /nfs/dbraw/zinc/11/79/59/596117959.db2.gz YIEUMURUFLTNQM-UHFFFAOYSA-N 1 2 330.344 1.403 20 5 EDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000852437416 596162385 /nfs/dbraw/zinc/16/23/85/596162385.db2.gz BSPZWLGPQNZQAW-VIFPVBQESA-N 1 2 327.287 1.900 20 5 EDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000852437416 596162387 /nfs/dbraw/zinc/16/23/87/596162387.db2.gz BSPZWLGPQNZQAW-VIFPVBQESA-N 1 2 327.287 1.900 20 5 EDBDLO Cc1cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000870075175 596736573 /nfs/dbraw/zinc/73/65/73/596736573.db2.gz FDRIMLBFHKMNTI-OAHLLOKOSA-N 1 2 349.387 1.076 20 5 EDBDLO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C ZINC000866218616 596832187 /nfs/dbraw/zinc/83/21/87/596832187.db2.gz TZPBAEMNEHKNRO-CQSZACIVSA-N 1 2 341.433 1.775 20 5 EDBDLO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+]1C ZINC000866218616 596832190 /nfs/dbraw/zinc/83/21/90/596832190.db2.gz TZPBAEMNEHKNRO-CQSZACIVSA-N 1 2 341.433 1.775 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(F)cc3F)CC2)n1 ZINC000879595528 597650697 /nfs/dbraw/zinc/65/06/97/597650697.db2.gz MDJWQMGVTUAAAO-UHFFFAOYSA-N 1 2 337.330 1.892 20 5 EDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCCn1cc[nH+]c1 ZINC000915280309 695778275 /nfs/dbraw/zinc/77/82/75/695778275.db2.gz PDUKZJGLCFGRKT-UHFFFAOYSA-N 1 2 328.332 1.348 20 5 EDBDLO Cc1cc(OCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000559379073 306254676 /nfs/dbraw/zinc/25/46/76/306254676.db2.gz OWIIHGDHWVNVKJ-ZDUSSCGKSA-N 1 2 337.376 1.119 20 5 EDBDLO Cc1cc(OCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000559379073 306254677 /nfs/dbraw/zinc/25/46/77/306254677.db2.gz OWIIHGDHWVNVKJ-ZDUSSCGKSA-N 1 2 337.376 1.119 20 5 EDBDLO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000175044715 529847152 /nfs/dbraw/zinc/84/71/52/529847152.db2.gz KQFKDLHCFGIVKQ-GFCCVEGCSA-N 1 2 348.403 1.770 20 5 EDBDLO CN(CC(=O)N1CCOCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413027530 304050459 /nfs/dbraw/zinc/05/04/59/304050459.db2.gz MQGQDVGHIDCDIR-UHFFFAOYSA-N 1 2 330.344 1.438 20 5 EDBDLO CC(=O)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000565157120 306376393 /nfs/dbraw/zinc/37/63/93/306376393.db2.gz LNEVCVTVRGMAGX-NSHDSACASA-N 1 2 331.332 1.867 20 5 EDBDLO CC(=O)c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000565157120 306376394 /nfs/dbraw/zinc/37/63/94/306376394.db2.gz LNEVCVTVRGMAGX-NSHDSACASA-N 1 2 331.332 1.867 20 5 EDBDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173636128 299325353 /nfs/dbraw/zinc/32/53/53/299325353.db2.gz AROGXYAAYZQTHF-NSHDSACASA-N 1 2 344.375 1.639 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000195346977 139015301 /nfs/dbraw/zinc/01/53/01/139015301.db2.gz YYNKTOODBVPJJE-UHFFFAOYSA-N 1 2 346.391 1.963 20 5 EDBDLO CC(C)(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000110740186 220062611 /nfs/dbraw/zinc/06/26/11/220062611.db2.gz JSHUWCYFRQQHPB-ZDUSSCGKSA-N 1 2 345.359 1.410 20 5 EDBDLO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080914498 217340255 /nfs/dbraw/zinc/34/02/55/217340255.db2.gz OATBMJCMIDOQRI-CQSZACIVSA-N 1 2 349.387 1.540 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CC(C)(C(N)=O)C1 ZINC000567790206 306463308 /nfs/dbraw/zinc/46/33/08/306463308.db2.gz SKIAVMXJQCPKEK-SECBINFHSA-N 1 2 331.332 1.513 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246381660 139106215 /nfs/dbraw/zinc/10/62/15/139106215.db2.gz ADXVZNWXLKVYQK-ZIAGYGMSSA-N 1 2 349.387 1.725 20 5 EDBDLO COc1ccc(OCC[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246381660 139106216 /nfs/dbraw/zinc/10/62/16/139106216.db2.gz ADXVZNWXLKVYQK-ZIAGYGMSSA-N 1 2 349.387 1.725 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263655128 139350202 /nfs/dbraw/zinc/35/02/02/139350202.db2.gz CFDDCEYKOUVPHU-SECBINFHSA-N 1 2 344.780 1.812 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nccn1C ZINC000271028361 140223621 /nfs/dbraw/zinc/22/36/21/140223621.db2.gz PRYICPDCVWKXLK-UHFFFAOYSA-N 1 2 347.375 1.798 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000271028361 140223624 /nfs/dbraw/zinc/22/36/24/140223624.db2.gz PRYICPDCVWKXLK-UHFFFAOYSA-N 1 2 347.375 1.798 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000337350500 141576823 /nfs/dbraw/zinc/57/68/23/141576823.db2.gz SIPMYICEAUPGCR-UHFFFAOYSA-N 1 2 342.311 1.084 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416452662 304319798 /nfs/dbraw/zinc/31/97/98/304319798.db2.gz QASDTUXBILQETK-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416452662 304319799 /nfs/dbraw/zinc/31/97/99/304319799.db2.gz QASDTUXBILQETK-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000345380477 143084290 /nfs/dbraw/zinc/08/42/90/143084290.db2.gz HTSVVCHWRMRVRX-CQSZACIVSA-N 1 2 335.404 1.707 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346685065 143231700 /nfs/dbraw/zinc/23/17/00/143231700.db2.gz IHBKIPLJRRXULR-MKBNYLNASA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346685065 143231701 /nfs/dbraw/zinc/23/17/01/143231701.db2.gz IHBKIPLJRRXULR-MKBNYLNASA-N 1 2 346.387 1.428 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346712980 143236439 /nfs/dbraw/zinc/23/64/39/143236439.db2.gz FLJUCMKEMYREKM-SNVBAGLBSA-N 1 2 344.327 1.755 20 5 EDBDLO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000347023815 143272910 /nfs/dbraw/zinc/27/29/10/143272910.db2.gz PQWFMXJEJLOCEI-INIZCTEOSA-N 1 2 335.360 1.727 20 5 EDBDLO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000347023815 143272911 /nfs/dbraw/zinc/27/29/11/143272911.db2.gz PQWFMXJEJLOCEI-INIZCTEOSA-N 1 2 335.360 1.727 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000347631792 143343339 /nfs/dbraw/zinc/34/33/39/143343339.db2.gz QVFSGLORMGAIDP-CYBMUJFWSA-N 1 2 337.376 1.201 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000347631792 143343340 /nfs/dbraw/zinc/34/33/40/143343340.db2.gz QVFSGLORMGAIDP-CYBMUJFWSA-N 1 2 337.376 1.201 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)COc1ccccc1F)CC2 ZINC000347792334 143363983 /nfs/dbraw/zinc/36/39/83/143363983.db2.gz WZNKHQHYYNLFNC-AWEZNQCLSA-N 1 2 347.346 1.927 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)COc1ccccc1F)CC2 ZINC000347792334 143363984 /nfs/dbraw/zinc/36/39/84/143363984.db2.gz WZNKHQHYYNLFNC-AWEZNQCLSA-N 1 2 347.346 1.927 20 5 EDBDLO O=C1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cc[nH+]cc2N1 ZINC000348051175 143395876 /nfs/dbraw/zinc/39/58/76/143395876.db2.gz QRVDXKXNQVTOLS-UHFFFAOYSA-N 1 2 348.340 1.278 20 5 EDBDLO CCCn1c(C)nnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681101 155134531 /nfs/dbraw/zinc/13/45/31/155134531.db2.gz HZZFFYKVJQGWJI-UHFFFAOYSA-N 1 2 333.396 1.938 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COCc1ccco1)CCO2 ZINC000352621646 149089298 /nfs/dbraw/zinc/08/92/98/149089298.db2.gz SGUGKEWKUVMYCB-HNNXBMFYSA-N 1 2 348.355 1.960 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COCc1ccco1)CCO2 ZINC000352621646 149089299 /nfs/dbraw/zinc/08/92/99/149089299.db2.gz SGUGKEWKUVMYCB-HNNXBMFYSA-N 1 2 348.355 1.960 20 5 EDBDLO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000344764334 286107083 /nfs/dbraw/zinc/10/70/83/286107083.db2.gz ZFHMMTZUOSVODI-MNOVXSKESA-N 1 2 343.767 1.268 20 5 EDBDLO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000344764334 286107088 /nfs/dbraw/zinc/10/70/88/286107088.db2.gz ZFHMMTZUOSVODI-MNOVXSKESA-N 1 2 343.767 1.268 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353405267 149394119 /nfs/dbraw/zinc/39/41/19/149394119.db2.gz RASLMAPAVHKYET-OAHLLOKOSA-N 1 2 345.403 1.922 20 5 EDBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc(N(C)C)no1 ZINC000354981602 150063562 /nfs/dbraw/zinc/06/35/62/150063562.db2.gz OTZBMUUCBFQPFY-SNVBAGLBSA-N 1 2 348.363 1.551 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000355041648 150088239 /nfs/dbraw/zinc/08/82/39/150088239.db2.gz FGRGVRUDLQJLLF-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000355041648 150088242 /nfs/dbraw/zinc/08/82/42/150088242.db2.gz FGRGVRUDLQJLLF-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO COc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000355446050 150271267 /nfs/dbraw/zinc/27/12/67/150271267.db2.gz UUTPVMXFQRISDD-TZMCWYRMSA-N 1 2 349.387 1.539 20 5 EDBDLO Cn1ccnc1C(=O)c1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000357606941 151083189 /nfs/dbraw/zinc/08/31/89/151083189.db2.gz OQMLFTDZSJUVQH-UHFFFAOYSA-N 1 2 340.343 1.905 20 5 EDBDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000357760903 151142316 /nfs/dbraw/zinc/14/23/16/151142316.db2.gz OLQDBSGIQNQZBP-UHFFFAOYSA-N 1 2 343.387 1.215 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360426570 152036373 /nfs/dbraw/zinc/03/63/73/152036373.db2.gz GPXAMXARQGORFK-UHFFFAOYSA-N 1 2 343.343 1.396 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360426570 152036376 /nfs/dbraw/zinc/03/63/76/152036376.db2.gz GPXAMXARQGORFK-UHFFFAOYSA-N 1 2 343.343 1.396 20 5 EDBDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])nc1 ZINC000361007782 152277213 /nfs/dbraw/zinc/27/72/13/152277213.db2.gz SECJVXXZYGQMTP-DOMZBBRYSA-N 1 2 348.382 1.772 20 5 EDBDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])nc1 ZINC000361007782 152277216 /nfs/dbraw/zinc/27/72/16/152277216.db2.gz SECJVXXZYGQMTP-DOMZBBRYSA-N 1 2 348.382 1.772 20 5 EDBDLO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000363693870 153031365 /nfs/dbraw/zinc/03/13/65/153031365.db2.gz KYVWFLCRCLLTFV-IUODEOHRSA-N 1 2 349.387 1.531 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000364866335 153356097 /nfs/dbraw/zinc/35/60/97/153356097.db2.gz WVPRCTLCBKVJNX-IINYFYTJSA-N 1 2 335.360 1.387 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000364866335 153356098 /nfs/dbraw/zinc/35/60/98/153356098.db2.gz WVPRCTLCBKVJNX-IINYFYTJSA-N 1 2 335.360 1.387 20 5 EDBDLO CCc1nn(C)c(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000367456660 154131436 /nfs/dbraw/zinc/13/14/36/154131436.db2.gz QMSDMERMLHXSLT-GXTWGEPZSA-N 1 2 337.424 1.438 20 5 EDBDLO CN1C(=O)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CCN2C1=O ZINC000369450253 155040505 /nfs/dbraw/zinc/04/05/05/155040505.db2.gz CHISECNYHSAUET-LBPRGKRZSA-N 1 2 338.751 1.326 20 5 EDBDLO CN1C(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CCN2C1=O ZINC000369450253 155040509 /nfs/dbraw/zinc/04/05/09/155040509.db2.gz CHISECNYHSAUET-LBPRGKRZSA-N 1 2 338.751 1.326 20 5 EDBDLO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000373836846 157025919 /nfs/dbraw/zinc/02/59/19/157025919.db2.gz UBIOVBQWHWHOOG-RISCZKNCSA-N 1 2 337.351 1.527 20 5 EDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000174386256 533687432 /nfs/dbraw/zinc/68/74/32/533687432.db2.gz UPYSLSXNBFSDCO-JTQLQIEISA-N 1 2 341.389 1.366 20 5 EDBDLO CCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000273529949 268059719 /nfs/dbraw/zinc/05/97/19/268059719.db2.gz RGPDARSKQPTCMO-UHFFFAOYSA-N 1 2 344.371 1.956 20 5 EDBDLO CCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000273529949 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COc1ccc(CC(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000532625713 305987415 /nfs/dbraw/zinc/98/74/15/305987415.db2.gz CIHLZKOXCYCIRX-UHFFFAOYSA-N 1 2 332.360 1.891 20 5 EDBDLO COC(C)(C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544144525 306072954 /nfs/dbraw/zinc/07/29/54/306072954.db2.gz XFYBFEHZFZVSMZ-UHFFFAOYSA-N 1 2 330.406 1.725 20 5 EDBDLO COC(C)(C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544144525 306072955 /nfs/dbraw/zinc/07/29/55/306072955.db2.gz XFYBFEHZFZVSMZ-UHFFFAOYSA-N 1 2 330.406 1.725 20 5 EDBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548410833 306127354 /nfs/dbraw/zinc/12/73/54/306127354.db2.gz JPXUJXVKKJLWDN-UHFFFAOYSA-N 1 2 330.348 1.633 20 5 EDBDLO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000104938201 441223377 /nfs/dbraw/zinc/22/33/77/441223377.db2.gz UFLSPUJEPFAMGW-NWDGAFQWSA-N 1 2 336.392 1.324 20 5 EDBDLO CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCOCC1 ZINC000048297369 441288905 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1.893 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c(F)c1 ZINC000122195259 441838402 /nfs/dbraw/zinc/83/84/02/441838402.db2.gz PSEAEBFONWHMMQ-NSHDSACASA-N 1 2 340.273 1.842 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(F)c1 ZINC000122195259 441838404 /nfs/dbraw/zinc/83/84/04/441838404.db2.gz PSEAEBFONWHMMQ-NSHDSACASA-N 1 2 340.273 1.842 20 5 EDBDLO CC[N@@H+]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000124290475 441914853 /nfs/dbraw/zinc/91/48/53/441914853.db2.gz QMBVPMJHDAXDCN-NSHDSACASA-N 1 2 327.406 1.895 20 5 EDBDLO CC[N@H+]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000124290475 441914860 /nfs/dbraw/zinc/91/48/60/441914860.db2.gz QMBVPMJHDAXDCN-NSHDSACASA-N 1 2 327.406 1.895 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000093333771 441879965 /nfs/dbraw/zinc/87/99/65/441879965.db2.gz CJITVXWVYLCQSO-ZANVPECISA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000093333771 441879969 /nfs/dbraw/zinc/87/99/69/441879969.db2.gz CJITVXWVYLCQSO-ZANVPECISA-N 1 2 327.768 1.889 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000144307081 441881125 /nfs/dbraw/zinc/88/11/25/441881125.db2.gz QYSHIBDXMKXBKV-UHFFFAOYSA-N 1 2 347.350 1.275 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000151333404 442044517 /nfs/dbraw/zinc/04/45/17/442044517.db2.gz JKFVXJFPTOJQNN-UHFFFAOYSA-N 1 2 346.368 1.862 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000126485933 442115945 /nfs/dbraw/zinc/11/59/45/442115945.db2.gz BJOUBUBMIVWCOX-JQWIXIFHSA-N 1 2 332.364 1.557 20 5 EDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172149969 442416003 /nfs/dbraw/zinc/41/60/03/442416003.db2.gz VOEJXIPUKLFUJT-CYBMUJFWSA-N 1 2 344.375 1.092 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCn2cc[nH+]c2C1 ZINC000155841148 442431290 /nfs/dbraw/zinc/43/12/90/442431290.db2.gz KVOJBFZXDONWDI-LBPRGKRZSA-N 1 2 329.360 1.582 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000182217757 442747004 /nfs/dbraw/zinc/74/70/04/442747004.db2.gz OJDGFSQQBSAEFW-UONOGXRCSA-N 1 2 346.387 1.937 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000182217757 442747005 /nfs/dbraw/zinc/74/70/05/442747005.db2.gz OJDGFSQQBSAEFW-UONOGXRCSA-N 1 2 346.387 1.937 20 5 EDBDLO COc1cccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000193844135 442797206 /nfs/dbraw/zinc/79/72/06/442797206.db2.gz RNEQRQOFPUBTJP-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO CCc1n[nH]c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194741520 442946748 /nfs/dbraw/zinc/94/67/48/442946748.db2.gz MVPYBMJWJYMSIB-PHIMTYICSA-N 1 2 339.396 1.062 20 5 EDBDLO CCc1n[nH]c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194741520 442946752 /nfs/dbraw/zinc/94/67/52/442946752.db2.gz MVPYBMJWJYMSIB-PHIMTYICSA-N 1 2 339.396 1.062 20 5 EDBDLO CCc1[nH]nc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194741520 442946754 /nfs/dbraw/zinc/94/67/54/442946754.db2.gz MVPYBMJWJYMSIB-PHIMTYICSA-N 1 2 339.396 1.062 20 5 EDBDLO CCc1[nH]nc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194741520 442946757 /nfs/dbraw/zinc/94/67/57/442946757.db2.gz MVPYBMJWJYMSIB-PHIMTYICSA-N 1 2 339.396 1.062 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000266623759 443189891 /nfs/dbraw/zinc/18/98/91/443189891.db2.gz GPMOQXRCIMELHM-HNNXBMFYSA-N 1 2 346.387 1.585 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000266623759 443189892 /nfs/dbraw/zinc/18/98/92/443189892.db2.gz GPMOQXRCIMELHM-HNNXBMFYSA-N 1 2 346.387 1.585 20 5 EDBDLO C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000191029169 443228081 /nfs/dbraw/zinc/22/80/81/443228081.db2.gz BHAZJCXJOKLDLW-QMMMGPOBSA-N 1 2 330.270 1.994 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272504787 443343569 /nfs/dbraw/zinc/34/35/69/443343569.db2.gz HUCWOYRUFJVGEK-CJNGLKHVSA-N 1 2 343.387 1.628 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000282429735 443336642 /nfs/dbraw/zinc/33/66/42/443336642.db2.gz YYIIUPWFEBHMSH-GFCCVEGCSA-N 1 2 344.389 1.101 20 5 EDBDLO COc1ccc(OCC[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000282429735 443336646 /nfs/dbraw/zinc/33/66/46/443336646.db2.gz YYIIUPWFEBHMSH-GFCCVEGCSA-N 1 2 344.389 1.101 20 5 EDBDLO COC(=O)[C@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273029810 443523827 /nfs/dbraw/zinc/52/38/27/443523827.db2.gz MOLXMQJALLQJFD-LLVKDONJSA-N 1 2 344.389 1.109 20 5 EDBDLO COC(=O)[C@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273029810 443523830 /nfs/dbraw/zinc/52/38/30/443523830.db2.gz MOLXMQJALLQJFD-LLVKDONJSA-N 1 2 344.389 1.109 20 5 EDBDLO COC1(C)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273160866 443553771 /nfs/dbraw/zinc/55/37/71/443553771.db2.gz NOHBZEGJZPEYJP-UHFFFAOYSA-N 1 2 342.417 1.869 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000283192472 443555215 /nfs/dbraw/zinc/55/52/15/443555215.db2.gz MQGAXEFFKUXPNY-UHFFFAOYSA-N 1 2 349.387 1.588 20 5 EDBDLO CC(=O)NC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000276191158 443666246 /nfs/dbraw/zinc/66/62/46/443666246.db2.gz XCLWKDAERCPSQG-UHFFFAOYSA-N 1 2 327.344 1.685 20 5 EDBDLO COc1cc(C[NH2+]Cc2ccnc(OC)n2)c([N+](=O)[O-])cc1OC ZINC000449377897 320185593 /nfs/dbraw/zinc/18/55/93/320185593.db2.gz PSDQGTCFNBSILT-UHFFFAOYSA-N 1 2 334.332 1.700 20 5 EDBDLO COCCOC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450026057 320208971 /nfs/dbraw/zinc/20/89/71/320208971.db2.gz KTMCRDQGNUCLQG-UHFFFAOYSA-N 1 2 346.343 1.268 20 5 EDBDLO CCOc1cc(N2CC[NH+]([C@@H](CC)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000280168590 443674681 /nfs/dbraw/zinc/67/46/81/443674681.db2.gz FWGRUFBATIQWGS-ZDUSSCGKSA-N 1 2 336.392 1.379 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000492944114 320391576 /nfs/dbraw/zinc/39/15/76/320391576.db2.gz AJHJBSZXVRBTOE-MVGZEHJDSA-N 1 2 333.388 1.835 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000492944114 320391577 /nfs/dbraw/zinc/39/15/77/320391577.db2.gz AJHJBSZXVRBTOE-MVGZEHJDSA-N 1 2 333.388 1.835 20 5 EDBDLO NC(=O)c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000298762605 443860781 /nfs/dbraw/zinc/86/07/81/443860781.db2.gz QMEDNLLGYFGPCH-UHFFFAOYSA-N 1 2 341.371 1.411 20 5 EDBDLO Cc1nc(CC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000299587977 444087481 /nfs/dbraw/zinc/08/74/81/444087481.db2.gz JXCBFRUQYJLKLW-SNVBAGLBSA-N 1 2 333.348 1.788 20 5 EDBDLO Cc1nc(CC[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000299587977 444087486 /nfs/dbraw/zinc/08/74/86/444087486.db2.gz JXCBFRUQYJLKLW-SNVBAGLBSA-N 1 2 333.348 1.788 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331195935 444439539 /nfs/dbraw/zinc/43/95/39/444439539.db2.gz YICDUUMJTIYXBA-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331195935 444439543 /nfs/dbraw/zinc/43/95/43/444439543.db2.gz YICDUUMJTIYXBA-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000581127414 322139312 /nfs/dbraw/zinc/13/93/12/322139312.db2.gz SPKVPIKCSMFRCG-CYBMUJFWSA-N 1 2 326.303 1.534 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000342145832 444532543 /nfs/dbraw/zinc/53/25/43/444532543.db2.gz CCDODSFVDMJLLM-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000342145832 444532549 /nfs/dbraw/zinc/53/25/49/444532549.db2.gz CCDODSFVDMJLLM-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000342145832 444532552 /nfs/dbraw/zinc/53/25/52/444532552.db2.gz CCDODSFVDMJLLM-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000342145832 444532555 /nfs/dbraw/zinc/53/25/55/444532555.db2.gz CCDODSFVDMJLLM-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO O=C(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338280281 444608235 /nfs/dbraw/zinc/60/82/35/444608235.db2.gz IGCZQHVPLQKXSF-HNNXBMFYSA-N 1 2 347.371 1.603 20 5 EDBDLO O=C(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338280281 444608238 /nfs/dbraw/zinc/60/82/38/444608238.db2.gz IGCZQHVPLQKXSF-HNNXBMFYSA-N 1 2 347.371 1.603 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000342376049 444664290 /nfs/dbraw/zinc/66/42/90/444664290.db2.gz YCMJFFCSRVQFFH-NSHDSACASA-N 1 2 346.347 1.148 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000342376049 444664291 /nfs/dbraw/zinc/66/42/91/444664291.db2.gz YCMJFFCSRVQFFH-NSHDSACASA-N 1 2 346.347 1.148 20 5 EDBDLO CN1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000341297877 444766513 /nfs/dbraw/zinc/76/65/13/444766513.db2.gz YUBITESNTHDVKJ-UHFFFAOYSA-N 1 2 341.415 2.316 20 5 EDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342920274 444941069 /nfs/dbraw/zinc/94/10/69/444941069.db2.gz KCJMGMRILQLXSL-LBPRGKRZSA-N 1 2 345.403 1.442 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000330650037 445078716 /nfs/dbraw/zinc/07/87/16/445078716.db2.gz WYJRTGDGDVMIRO-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000330650037 445078717 /nfs/dbraw/zinc/07/87/17/445078717.db2.gz WYJRTGDGDVMIRO-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330846746 445163900 /nfs/dbraw/zinc/16/39/00/445163900.db2.gz CJAYOHHZBSMPNH-VXGBXAGGSA-N 1 2 327.406 1.698 20 5 EDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330846746 445163905 /nfs/dbraw/zinc/16/39/05/445163905.db2.gz CJAYOHHZBSMPNH-VXGBXAGGSA-N 1 2 327.406 1.698 20 5 EDBDLO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000342045642 445142449 /nfs/dbraw/zinc/14/24/49/445142449.db2.gz OTXCUIGHKXGQLW-QWRGUYRKSA-N 1 2 347.375 1.765 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000343465270 445227808 /nfs/dbraw/zinc/22/78/08/445227808.db2.gz PAECDUCNBSWFBL-VIFPVBQESA-N 1 2 331.419 1.480 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000343465270 445227810 /nfs/dbraw/zinc/22/78/10/445227810.db2.gz PAECDUCNBSWFBL-VIFPVBQESA-N 1 2 331.419 1.480 20 5 EDBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000343581087 445250548 /nfs/dbraw/zinc/25/05/48/445250548.db2.gz 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447876645 /nfs/dbraw/zinc/87/66/45/447876645.db2.gz UIEVZPKWZGUMEV-LLVKDONJSA-N 1 2 325.369 1.429 20 5 EDBDLO CNC(=O)c1ccc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000570206445 447965304 /nfs/dbraw/zinc/96/53/04/447965304.db2.gz MHYONLKKGIFOOA-NSHDSACASA-N 1 2 325.390 1.377 20 5 EDBDLO CNC(=O)c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000570206445 447965308 /nfs/dbraw/zinc/96/53/08/447965308.db2.gz MHYONLKKGIFOOA-NSHDSACASA-N 1 2 325.390 1.377 20 5 EDBDLO O=C(Cn1cc[nH+]c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000584325100 448481226 /nfs/dbraw/zinc/48/12/26/448481226.db2.gz HZLCNUFVTAKCHA-UHFFFAOYSA-N 1 2 330.344 1.861 20 5 EDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587057556 448834620 /nfs/dbraw/zinc/83/46/20/448834620.db2.gz WOVXYUWEUPQNHI-VIFPVBQESA-N 1 2 330.300 1.265 20 5 EDBDLO Cc1cccc2[nH+]c(CCNC(=O)c3cc([N+](=O)[O-])cn3C)cn21 ZINC000592465639 448849371 /nfs/dbraw/zinc/84/93/71/448849371.db2.gz PUIRVRHSLTXAGT-UHFFFAOYSA-N 1 2 327.344 1.862 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000574532280 448897347 /nfs/dbraw/zinc/89/73/47/448897347.db2.gz WWQBRBIBPCZTOT-UHFFFAOYSA-N 1 2 330.335 1.640 20 5 EDBDLO NS(=O)(=O)c1ccc(NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000589103130 448969673 /nfs/dbraw/zinc/96/96/73/448969673.db2.gz CUQQMXWKXHBXJL-UHFFFAOYSA-N 1 2 337.361 1.161 20 5 EDBDLO CC(C)(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000593012003 449102328 /nfs/dbraw/zinc/10/23/28/449102328.db2.gz UQHWOUHQPLIJDO-UHFFFAOYSA-N 1 2 339.367 1.503 20 5 EDBDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595668938 449109865 /nfs/dbraw/zinc/10/98/65/449109865.db2.gz VSHJPILIWVQFDE-WCQYABFASA-N 1 2 348.315 1.065 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)CO ZINC000597847035 449120949 /nfs/dbraw/zinc/12/09/49/449120949.db2.gz NMLVPCMOCNVKIW-LLVKDONJSA-N 1 2 338.389 1.879 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC(=O)N(C)CC2)cccc1[N+](=O)[O-] ZINC000595775036 449158765 /nfs/dbraw/zinc/15/87/65/449158765.db2.gz ZHTQSKPGZAKPRP-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(=O)N(C)CC2)cccc1[N+](=O)[O-] ZINC000595775036 449158768 /nfs/dbraw/zinc/15/87/68/449158768.db2.gz ZHTQSKPGZAKPRP-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595744230 449143235 /nfs/dbraw/zinc/14/32/35/449143235.db2.gz USPLSXUNKIEICK-NSHDSACASA-N 1 2 343.767 1.534 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595744230 449143240 /nfs/dbraw/zinc/14/32/40/449143240.db2.gz USPLSXUNKIEICK-NSHDSACASA-N 1 2 343.767 1.534 20 5 EDBDLO Cc1c(CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000598001178 449188062 /nfs/dbraw/zinc/18/80/62/449188062.db2.gz XHORMYIRGSYQIL-QWHCGFSZSA-N 1 2 335.404 1.671 20 5 EDBDLO Cc1c(CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000598001178 449188069 /nfs/dbraw/zinc/18/80/69/449188069.db2.gz XHORMYIRGSYQIL-QWHCGFSZSA-N 1 2 335.404 1.671 20 5 EDBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@](C)(C(F)F)O1 ZINC000595919726 449252995 /nfs/dbraw/zinc/25/29/95/449252995.db2.gz ROTUSNJYNFZWRJ-QMTHXVAHSA-N 1 2 331.319 1.501 20 5 EDBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@](C)(C(F)F)O1 ZINC000595919726 449253000 /nfs/dbraw/zinc/25/30/00/449253000.db2.gz ROTUSNJYNFZWRJ-QMTHXVAHSA-N 1 2 331.319 1.501 20 5 EDBDLO CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000590741914 449265013 /nfs/dbraw/zinc/26/50/13/449265013.db2.gz LBZJHCNOXHBLJH-LBPRGKRZSA-N 1 2 343.343 1.131 20 5 EDBDLO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000593918165 449286317 /nfs/dbraw/zinc/28/63/17/449286317.db2.gz BBMUMLHEINQFMR-XNRPHZJLSA-N 1 2 349.387 1.801 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000598223330 449298498 /nfs/dbraw/zinc/29/84/98/449298498.db2.gz CUASCXMCDSOYMS-BLLLJJGKSA-N 1 2 328.328 1.377 20 5 EDBDLO COCCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000593519278 449322604 /nfs/dbraw/zinc/32/26/04/449322604.db2.gz YRGABEFJYJGXLV-UHFFFAOYSA-N 1 2 341.383 1.827 20 5 EDBDLO O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598302971 449344934 /nfs/dbraw/zinc/34/49/34/449344934.db2.gz GGBXBTKYAAZPTI-LSDHHAIUSA-N 1 2 342.355 1.814 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600422368 449367171 /nfs/dbraw/zinc/36/71/71/449367171.db2.gz VFUPGAHIARVQBK-LBPRGKRZSA-N 1 2 327.768 1.238 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600422368 449367175 /nfs/dbraw/zinc/36/71/75/449367175.db2.gz VFUPGAHIARVQBK-LBPRGKRZSA-N 1 2 327.768 1.238 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](CCF)C1 ZINC000600487133 449405162 /nfs/dbraw/zinc/40/51/62/449405162.db2.gz AWEZQFVSXHGCML-CYBMUJFWSA-N 1 2 348.334 1.981 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000598458955 449405389 /nfs/dbraw/zinc/40/53/89/449405389.db2.gz ALWIPQJCPNAPTH-VIFPVBQESA-N 1 2 332.316 1.606 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602198223 449427471 /nfs/dbraw/zinc/42/74/71/449427471.db2.gz JPWPCNOZWWNMCO-UHFFFAOYSA-N 1 2 341.371 1.385 20 5 EDBDLO COC(=O)c1ccnc(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000598590176 449480370 /nfs/dbraw/zinc/48/03/70/449480370.db2.gz LNKPMXZDPVXUPD-UHFFFAOYSA-N 1 2 331.332 1.850 20 5 EDBDLO COC(=O)c1ccnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000598595454 449482396 /nfs/dbraw/zinc/48/23/96/449482396.db2.gz TZKXMEZHQYMJAL-GHMZBOCLSA-N 1 2 338.364 1.298 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])o1 ZINC000600682500 449489129 /nfs/dbraw/zinc/48/91/29/449489129.db2.gz NHIQGKZDWHIYFS-CYBMUJFWSA-N 1 2 346.343 1.214 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])o1 ZINC000600682500 449489133 /nfs/dbraw/zinc/48/91/33/449489133.db2.gz NHIQGKZDWHIYFS-CYBMUJFWSA-N 1 2 346.343 1.214 20 5 EDBDLO NC(=O)c1cc(N(CC[NH+]2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000596513839 449535789 /nfs/dbraw/zinc/53/57/89/449535789.db2.gz GFRLQCFCBOXMIF-UHFFFAOYSA-N 1 2 348.403 1.242 20 5 EDBDLO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596542718 449547074 /nfs/dbraw/zinc/54/70/74/449547074.db2.gz PGYRLIFKAQSUKE-ZETCQYMHSA-N 1 2 330.391 1.966 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600795394 449548978 /nfs/dbraw/zinc/54/89/78/449548978.db2.gz XUPPOCDQZCUHMY-IUIKQTSFSA-N 1 2 342.355 1.766 20 5 EDBDLO COc1ccccc1N1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602428739 449578476 /nfs/dbraw/zinc/57/84/76/449578476.db2.gz RDQAEFWRBZDQNR-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596666351 449594507 /nfs/dbraw/zinc/59/45/07/449594507.db2.gz IKRWDLCGXHDGKQ-LLVKDONJSA-N 1 2 329.360 1.651 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596666351 449594509 /nfs/dbraw/zinc/59/45/09/449594509.db2.gz IKRWDLCGXHDGKQ-LLVKDONJSA-N 1 2 329.360 1.651 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000594616398 449595916 /nfs/dbraw/zinc/59/59/16/449595916.db2.gz AXXRBXRQZRCWSN-HNNXBMFYSA-N 1 2 335.404 1.987 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614419152 449600788 /nfs/dbraw/zinc/60/07/88/449600788.db2.gz XBHMOAOYRNVLNZ-ZDUSSCGKSA-N 1 2 330.348 1.380 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000614419152 449600790 /nfs/dbraw/zinc/60/07/90/449600790.db2.gz XBHMOAOYRNVLNZ-ZDUSSCGKSA-N 1 2 330.348 1.380 20 5 EDBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCCn1cc[nH+]c1 ZINC000598894504 449633417 /nfs/dbraw/zinc/63/34/17/449633417.db2.gz MXWGTNLYJKNTPM-UHFFFAOYSA-N 1 2 346.347 1.119 20 5 EDBDLO O=[N+]([O-])c1cc(F)cnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000601106654 449693147 /nfs/dbraw/zinc/69/31/47/449693147.db2.gz UHFCGFAOKWFJDW-AWEZNQCLSA-N 1 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CCCc1[nH]nc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609477099 450033652 /nfs/dbraw/zinc/03/36/52/450033652.db2.gz ODCMQHHQYCXBLV-NSHDSACASA-N 1 2 332.364 1.944 20 5 EDBDLO NC(=O)c1cn(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)nn1 ZINC000599575185 450077950 /nfs/dbraw/zinc/07/79/50/450077950.db2.gz OFYWTMDGWASNLS-UHFFFAOYSA-N 1 2 336.377 1.184 20 5 EDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1([NH+]2CCOCC2)CC1 ZINC000601571915 450081709 /nfs/dbraw/zinc/08/17/09/450081709.db2.gz UJGDZJKLTGLOLX-UHFFFAOYSA-N 1 2 333.388 1.461 20 5 EDBDLO COC(=O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000599601845 450094915 /nfs/dbraw/zinc/09/49/15/450094915.db2.gz GXLOXVASDQHZFB-DOMZBBRYSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000599601845 450094918 /nfs/dbraw/zinc/09/49/18/450094918.db2.gz GXLOXVASDQHZFB-DOMZBBRYSA-N 1 2 338.360 1.626 20 5 EDBDLO CCOC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000599620454 450108905 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ZINC000840010933 593345067 /nfs/dbraw/zinc/34/50/67/593345067.db2.gz WSAPKEUPAIEOPX-NHYWBVRUSA-N 1 2 337.401 1.927 20 5 EDBDLO C[C@H]1CSCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840010933 593345069 /nfs/dbraw/zinc/34/50/69/593345069.db2.gz WSAPKEUPAIEOPX-NHYWBVRUSA-N 1 2 337.401 1.927 20 5 EDBDLO COc1cc(CON=C(N)C[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000809998410 593374751 /nfs/dbraw/zinc/37/47/51/593374751.db2.gz QPDJYLLMIAQVNL-UHFFFAOYSA-N 1 2 340.405 1.651 20 5 EDBDLO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839769035 593377055 /nfs/dbraw/zinc/37/70/55/593377055.db2.gz FZFLXCIOHBLDEB-ZIAGYGMSSA-N 1 2 334.376 1.571 20 5 EDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000804331933 593405222 /nfs/dbraw/zinc/40/52/22/593405222.db2.gz FPOCTUZODIRXGL-SNVBAGLBSA-N 1 2 331.288 1.444 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1CCC2(CCO2)CC1 ZINC000840066609 593460972 /nfs/dbraw/zinc/46/09/72/593460972.db2.gz WHQAAOGFHQVDIO-INIZCTEOSA-N 1 2 347.371 1.744 20 5 EDBDLO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000829241760 594586324 /nfs/dbraw/zinc/58/63/24/594586324.db2.gz IJXZGKRYBNSDEP-UHFFFAOYSA-N 1 2 349.387 1.485 20 5 EDBDLO C[C@@H](C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000829416460 594610621 /nfs/dbraw/zinc/61/06/21/594610621.db2.gz BUDPFEWXWJDQRP-LLVKDONJSA-N 1 2 329.360 1.979 20 5 EDBDLO C[C@@H](C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000829416460 594610623 /nfs/dbraw/zinc/61/06/23/594610623.db2.gz BUDPFEWXWJDQRP-LLVKDONJSA-N 1 2 329.360 1.979 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829467418 594619799 /nfs/dbraw/zinc/61/97/99/594619799.db2.gz OBVNBZXEMIKWOD-UHFFFAOYSA-N 1 2 344.375 1.555 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829467418 594619800 /nfs/dbraw/zinc/61/98/00/594619800.db2.gz OBVNBZXEMIKWOD-UHFFFAOYSA-N 1 2 344.375 1.555 20 5 EDBDLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833277678 594819503 /nfs/dbraw/zinc/81/95/03/594819503.db2.gz FWHJVPJFCQYIIJ-FZMZJTMJSA-N 1 2 341.327 1.546 20 5 EDBDLO C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)NC1CC1 ZINC000835386856 594820793 /nfs/dbraw/zinc/82/07/93/594820793.db2.gz ZVRMIMLSIFSPOJ-JTQLQIEISA-N 1 2 344.327 1.604 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1Cl ZINC000836785218 594997540 /nfs/dbraw/zinc/99/75/40/594997540.db2.gz YHZOXEQRCHLCBA-LLVKDONJSA-N 1 2 341.795 1.695 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1Cl ZINC000836785218 594997541 /nfs/dbraw/zinc/99/75/41/594997541.db2.gz YHZOXEQRCHLCBA-LLVKDONJSA-N 1 2 341.795 1.695 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836863781 595006633 /nfs/dbraw/zinc/00/66/33/595006633.db2.gz CQRPFBKBQNPYLL-OKILXGFUSA-N 1 2 348.403 1.254 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836863781 595006635 /nfs/dbraw/zinc/00/66/35/595006635.db2.gz CQRPFBKBQNPYLL-OKILXGFUSA-N 1 2 348.403 1.254 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc([N+](=O)[O-])c1F ZINC000842882387 595224265 /nfs/dbraw/zinc/22/42/65/595224265.db2.gz VCGWUTZXNYJHCA-CYBMUJFWSA-N 1 2 349.359 1.364 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000860179863 595606217 /nfs/dbraw/zinc/60/62/17/595606217.db2.gz GSORKGWEAKWTOU-CQSZACIVSA-N 1 2 336.348 1.994 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000860179863 595606218 /nfs/dbraw/zinc/60/62/18/595606218.db2.gz GSORKGWEAKWTOU-CQSZACIVSA-N 1 2 336.348 1.994 20 5 EDBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1SCCO ZINC000857982635 595676494 /nfs/dbraw/zinc/67/64/94/595676494.db2.gz KQGSIGJQYBQMTI-GFCCVEGCSA-N 1 2 348.384 1.751 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986442 595678097 /nfs/dbraw/zinc/67/80/97/595678097.db2.gz OATALBJAIYLKKZ-MNOVXSKESA-N 1 2 347.379 1.285 20 5 EDBDLO CCOC(=O)[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000858420562 595790090 /nfs/dbraw/zinc/79/00/90/595790090.db2.gz GNEVBODMJVEXGM-CQSZACIVSA-N 1 2 331.328 1.911 20 5 EDBDLO C[C@@]12COC[C@@H]1C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C2 ZINC000853567730 595808029 /nfs/dbraw/zinc/80/80/29/595808029.db2.gz XBXNYPJIYTZKDV-GZMMTYOYSA-N 1 2 331.170 1.480 20 5 EDBDLO C[C@@]12COC[C@@H]1C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C2 ZINC000853567730 595808030 /nfs/dbraw/zinc/80/80/30/595808030.db2.gz XBXNYPJIYTZKDV-GZMMTYOYSA-N 1 2 331.170 1.480 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000858686401 595864971 /nfs/dbraw/zinc/86/49/71/595864971.db2.gz CLTUFZYKTBWJMA-INIZCTEOSA-N 1 2 336.392 1.205 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000858686401 595864974 /nfs/dbraw/zinc/86/49/74/595864974.db2.gz CLTUFZYKTBWJMA-INIZCTEOSA-N 1 2 336.392 1.205 20 5 EDBDLO CN(C(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852435348 596160483 /nfs/dbraw/zinc/16/04/83/596160483.db2.gz MMMLMVLEFVWLLL-AWEZNQCLSA-N 1 2 348.359 1.084 20 5 EDBDLO CN(C(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852435348 596160486 /nfs/dbraw/zinc/16/04/86/596160486.db2.gz MMMLMVLEFVWLLL-AWEZNQCLSA-N 1 2 348.359 1.084 20 5 EDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000862104539 596238417 /nfs/dbraw/zinc/23/84/17/596238417.db2.gz PRAVZJIHDINYPS-UHFFFAOYSA-N 1 2 339.779 1.841 20 5 EDBDLO O=[N+]([O-])c1cc(CO)c(NCC2([NH+]3CCOCC3)CC2)cc1F ZINC000865729279 596662002 /nfs/dbraw/zinc/66/20/02/596662002.db2.gz GHAGYWRAUIFLBL-UHFFFAOYSA-N 1 2 325.340 1.503 20 5 EDBDLO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000865817071 596695298 /nfs/dbraw/zinc/69/52/98/596695298.db2.gz XXWCEUOWZUXGCT-GFCCVEGCSA-N 1 2 338.383 1.029 20 5 EDBDLO CNC(=O)c1ccc(N2CCN(C)c3[nH+]cccc3C2)c([N+](=O)[O-])c1 ZINC000866295174 596850532 /nfs/dbraw/zinc/85/05/32/596850532.db2.gz UWZRIOXNFDCAJR-UHFFFAOYSA-N 1 2 341.371 1.806 20 5 EDBDLO CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccc[nH+]c21 ZINC000872312988 596878188 /nfs/dbraw/zinc/87/81/88/596878188.db2.gz DENYUBWFCNUGPF-OAHLLOKOSA-N 1 2 342.355 1.502 20 5 EDBDLO CN1CCCC[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000872672396 597024819 /nfs/dbraw/zinc/02/48/19/597024819.db2.gz NVMAOVIIJNKOQR-AWEZNQCLSA-N 1 2 331.376 1.845 20 5 EDBDLO CN1CCCC[C@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000872672396 597024821 /nfs/dbraw/zinc/02/48/21/597024821.db2.gz NVMAOVIIJNKOQR-AWEZNQCLSA-N 1 2 331.376 1.845 20 5 EDBDLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000872781046 597064733 /nfs/dbraw/zinc/06/47/33/597064733.db2.gz PIKRTAVNMKSRAF-NXEZZACHSA-N 1 2 345.446 1.733 20 5 EDBDLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000872781046 597064737 /nfs/dbraw/zinc/06/47/37/597064737.db2.gz PIKRTAVNMKSRAF-NXEZZACHSA-N 1 2 345.446 1.733 20 5 EDBDLO CC(C)(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1 ZINC000876531113 597231423 /nfs/dbraw/zinc/23/14/23/597231423.db2.gz VKQQCGSMTDKKDM-UHFFFAOYSA-N 1 2 348.447 1.828 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879928968 597769085 /nfs/dbraw/zinc/76/90/85/597769085.db2.gz FIMWBZRAYAAVHO-CHWSQXEVSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879928968 597769089 /nfs/dbraw/zinc/76/90/89/597769089.db2.gz FIMWBZRAYAAVHO-CHWSQXEVSA-N 1 2 340.401 1.340 20 5 EDBDLO Cc1nn(C)c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000052038603 214113641 /nfs/dbraw/zinc/11/36/41/214113641.db2.gz UXTSCYWNNCQBAV-CQSZACIVSA-N 1 2 341.437 1.257 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCNC(=O)CC1 ZINC000054258769 214228207 /nfs/dbraw/zinc/22/82/07/214228207.db2.gz NCWAKFOHLRTTAY-JTQLQIEISA-N 1 2 331.332 1.528 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCNC(=O)CC1 ZINC000054258769 214228210 /nfs/dbraw/zinc/22/82/10/214228210.db2.gz NCWAKFOHLRTTAY-JTQLQIEISA-N 1 2 331.332 1.528 20 5 EDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055017318 214264742 /nfs/dbraw/zinc/26/47/42/214264742.db2.gz QCJZRWDFSNVBTC-LBPRGKRZSA-N 1 2 331.332 1.355 20 5 EDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055017318 214264745 /nfs/dbraw/zinc/26/47/45/214264745.db2.gz QCJZRWDFSNVBTC-LBPRGKRZSA-N 1 2 331.332 1.355 20 5 EDBDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000066835065 215084979 /nfs/dbraw/zinc/08/49/79/215084979.db2.gz YKJKLSCMZJYJLW-LBPRGKRZSA-N 1 2 335.360 1.727 20 5 EDBDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000066835065 215084982 /nfs/dbraw/zinc/08/49/82/215084982.db2.gz YKJKLSCMZJYJLW-LBPRGKRZSA-N 1 2 335.360 1.727 20 5 EDBDLO Cc1ccc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)o1 ZINC000090589828 138279962 /nfs/dbraw/zinc/27/99/62/138279962.db2.gz ZONKCGVAOUGIPF-OAHLLOKOSA-N 1 2 333.344 1.731 20 5 EDBDLO Cc1ccc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)o1 ZINC000090589828 138279963 /nfs/dbraw/zinc/27/99/63/138279963.db2.gz ZONKCGVAOUGIPF-OAHLLOKOSA-N 1 2 333.344 1.731 20 5 EDBDLO C[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000450258878 305328761 /nfs/dbraw/zinc/32/87/61/305328761.db2.gz CIKRAPPNYGSLHE-LBPRGKRZSA-N 1 2 327.406 1.150 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245862747 139087904 /nfs/dbraw/zinc/08/79/04/139087904.db2.gz FQYAYOXDPQBEAD-BZNIZROVSA-N 1 2 337.376 1.777 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC000245862747 139087905 /nfs/dbraw/zinc/08/79/05/139087905.db2.gz FQYAYOXDPQBEAD-BZNIZROVSA-N 1 2 337.376 1.777 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000353146454 183837789 /nfs/dbraw/zinc/83/77/89/183837789.db2.gz XVSAAKACADTPEC-SMDDNHRTSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000353146454 183837791 /nfs/dbraw/zinc/83/77/91/183837791.db2.gz XVSAAKACADTPEC-SMDDNHRTSA-N 1 2 326.374 1.222 20 5 EDBDLO O=c1c(Br)cn(-c2[nH+]cnc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000357147019 285205330 /nfs/dbraw/zinc/20/53/30/285205330.db2.gz DTPCIRDQYDRUFJ-UHFFFAOYSA-N 1 2 336.105 1.780 20 5 EDBDLO C[C@@H]1C[C@H]1C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000488346090 255043134 /nfs/dbraw/zinc/04/31/34/255043134.db2.gz KFBWZVBZWAQYNS-OLZOCXBDSA-N 1 2 339.417 1.557 20 5 EDBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000490671264 255098710 /nfs/dbraw/zinc/09/87/10/255098710.db2.gz TVLUHDCCUWRGHW-UHFFFAOYSA-N 1 2 325.369 1.738 20 5 EDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491846755 255152038 /nfs/dbraw/zinc/15/20/38/255152038.db2.gz NWUMEZZWOCOKLO-SNAWJCMRSA-N 1 2 341.371 1.676 20 5 EDBDLO Cc1nn(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000496425935 255392450 /nfs/dbraw/zinc/39/24/50/255392450.db2.gz UMPFDNQQZMVTHF-UHFFFAOYSA-N 1 2 339.396 1.652 20 5 EDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000267753149 139665236 /nfs/dbraw/zinc/66/52/36/139665236.db2.gz CIKVPZOJRUZFHQ-GXSJLCMTSA-N 1 2 330.300 1.214 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c(Br)c1 ZINC000270199451 140058809 /nfs/dbraw/zinc/05/88/09/140058809.db2.gz DCSSPRMPHMHOJJ-UHFFFAOYSA-N 1 2 344.209 1.862 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270932707 140202093 /nfs/dbraw/zinc/20/20/93/140202093.db2.gz QJUSLZTZZMMLTR-WFASDCNBSA-N 1 2 346.387 1.619 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270932707 140202095 /nfs/dbraw/zinc/20/20/95/140202095.db2.gz QJUSLZTZZMMLTR-WFASDCNBSA-N 1 2 346.387 1.619 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270943035 140204312 /nfs/dbraw/zinc/20/43/12/140204312.db2.gz RUPCQRQFVYWIKB-CQSZACIVSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270943035 140204314 /nfs/dbraw/zinc/20/43/14/140204314.db2.gz RUPCQRQFVYWIKB-CQSZACIVSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1sc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416296079 304304454 /nfs/dbraw/zinc/30/44/54/304304454.db2.gz NIMZHQYYLMPDOU-UWVGGRQHSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416296079 304304455 /nfs/dbraw/zinc/30/44/55/304304455.db2.gz NIMZHQYYLMPDOU-UWVGGRQHSA-N 1 2 327.406 1.492 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000271004287 140218388 /nfs/dbraw/zinc/21/83/88/140218388.db2.gz ZCHAEVULVDBCBW-IUODEOHRSA-N 1 2 346.387 1.619 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000271004287 140218389 /nfs/dbraw/zinc/21/83/89/140218389.db2.gz ZCHAEVULVDBCBW-IUODEOHRSA-N 1 2 346.387 1.619 20 5 EDBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331534533 141044386 /nfs/dbraw/zinc/04/43/86/141044386.db2.gz FFDYUEQJTLIQQN-NSHDSACASA-N 1 2 333.352 1.157 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332317983 141161537 /nfs/dbraw/zinc/16/15/37/141161537.db2.gz QVUOZYWWKNYAND-AWEZNQCLSA-N 1 2 348.403 1.248 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000332317983 141161538 /nfs/dbraw/zinc/16/15/38/141161538.db2.gz QVUOZYWWKNYAND-AWEZNQCLSA-N 1 2 348.403 1.248 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000332317983 141161539 /nfs/dbraw/zinc/16/15/39/141161539.db2.gz QVUOZYWWKNYAND-AWEZNQCLSA-N 1 2 348.403 1.248 20 5 EDBDLO Cn1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000345435265 143090786 /nfs/dbraw/zinc/09/07/86/143090786.db2.gz LXHBAQAEUXNBHD-UHFFFAOYSA-N 1 2 329.360 1.859 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+]2C[C@H](F)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000346062473 143163340 /nfs/dbraw/zinc/16/33/40/143163340.db2.gz KTVHYYAYNAWBNH-ZWNOBZJWSA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+]2C[C@H](F)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000346062473 143163341 /nfs/dbraw/zinc/16/33/41/143163341.db2.gz KTVHYYAYNAWBNH-ZWNOBZJWSA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346639414 143225006 /nfs/dbraw/zinc/22/50/06/143225006.db2.gz KGSOHMVXZZVFOQ-DETPVDSQSA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346639414 143225007 /nfs/dbraw/zinc/22/50/07/143225007.db2.gz KGSOHMVXZZVFOQ-DETPVDSQSA-N 1 2 346.387 1.428 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000347619620 143341754 /nfs/dbraw/zinc/34/17/54/143341754.db2.gz ZGLSSECUVVRXOW-CQSZACIVSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000347619620 143341755 /nfs/dbraw/zinc/34/17/55/143341755.db2.gz ZGLSSECUVVRXOW-CQSZACIVSA-N 1 2 325.340 1.575 20 5 EDBDLO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352777008 149161612 /nfs/dbraw/zinc/16/16/12/149161612.db2.gz FPTNPHQESVSOJQ-AWEZNQCLSA-N 1 2 340.343 1.913 20 5 EDBDLO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352784755 149164355 /nfs/dbraw/zinc/16/43/55/149164355.db2.gz WLDRUFKKYYGIAX-CYBMUJFWSA-N 1 2 340.343 1.913 20 5 EDBDLO Cc1nc(CC[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)no1 ZINC000353198428 149321203 /nfs/dbraw/zinc/32/12/03/149321203.db2.gz GTEGUNQGNGASBY-CQSZACIVSA-N 1 2 345.359 1.566 20 5 EDBDLO Cc1nc(CC[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)no1 ZINC000353198428 149321206 /nfs/dbraw/zinc/32/12/06/149321206.db2.gz GTEGUNQGNGASBY-CQSZACIVSA-N 1 2 345.359 1.566 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000353403185 149393415 /nfs/dbraw/zinc/39/34/15/149393415.db2.gz LRCBKCOKYFRGNJ-IUODEOHRSA-N 1 2 329.360 1.286 20 5 EDBDLO CCOC[C@H](O)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355764334 150391161 /nfs/dbraw/zinc/39/11/61/150391161.db2.gz XPFOLJPJTMXPSC-OAHLLOKOSA-N 1 2 346.387 1.845 20 5 EDBDLO Cn1c[nH+]cc1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000357581201 151073989 /nfs/dbraw/zinc/07/39/89/151073989.db2.gz MOQHBQVXHQFOOH-UHFFFAOYSA-N 1 2 345.359 1.413 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000364398146 153227105 /nfs/dbraw/zinc/22/71/05/153227105.db2.gz FQHULLZTXYTNTG-WFASDCNBSA-N 1 2 334.376 1.173 20 5 EDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083358 154003772 /nfs/dbraw/zinc/00/37/72/154003772.db2.gz FNSVBZZPAMBLBQ-INIZCTEOSA-N 1 2 326.356 1.705 20 5 EDBDLO Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367114533 154012728 /nfs/dbraw/zinc/01/27/28/154012728.db2.gz OXZHWNSOPNLZEX-NSHDSACASA-N 1 2 343.343 1.408 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(N3CCC([C@@H](O)c4[nH]cc[nH+]4)CC3)nn21 ZINC000369082253 154862769 /nfs/dbraw/zinc/86/27/69/154862769.db2.gz FCZXYGFPLRHJHZ-CQSZACIVSA-N 1 2 343.347 1.311 20 5 EDBDLO CCCc1n[nH]c(C(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000369493068 155057281 /nfs/dbraw/zinc/05/72/81/155057281.db2.gz JRBKJHDSPYOQHI-SNVBAGLBSA-N 1 2 332.364 1.459 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374332503 157247412 /nfs/dbraw/zinc/24/74/12/157247412.db2.gz SCILBXOGFNOZFD-NSHDSACASA-N 1 2 348.334 1.862 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000374331677 157247835 /nfs/dbraw/zinc/24/78/35/157247835.db2.gz LHVQMRSZCBVMNN-SNVBAGLBSA-N 1 2 332.364 1.634 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000374331677 157247840 /nfs/dbraw/zinc/24/78/40/157247840.db2.gz LHVQMRSZCBVMNN-SNVBAGLBSA-N 1 2 332.364 1.634 20 5 EDBDLO Nc1c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000374390392 157272880 /nfs/dbraw/zinc/27/28/80/157272880.db2.gz VSTXYUJSWDUPGG-ZDUSSCGKSA-N 1 2 327.344 1.359 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000374749456 157386682 /nfs/dbraw/zinc/38/66/82/157386682.db2.gz CRKWYOLRAGQCOY-ZDUSSCGKSA-N 1 2 336.373 1.985 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408084025 158261603 /nfs/dbraw/zinc/26/16/03/158261603.db2.gz MDCLRYBPJGHAFC-NWDGAFQWSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408084025 158261605 /nfs/dbraw/zinc/26/16/05/158261605.db2.gz MDCLRYBPJGHAFC-NWDGAFQWSA-N 1 2 341.433 1.870 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000268716807 161543084 /nfs/dbraw/zinc/54/30/84/161543084.db2.gz VAUDARXYPGLCLN-JKSUJKDBSA-N 1 2 346.387 1.616 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000268716807 161543087 /nfs/dbraw/zinc/54/30/87/161543087.db2.gz VAUDARXYPGLCLN-JKSUJKDBSA-N 1 2 346.387 1.616 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122962275 222191759 /nfs/dbraw/zinc/19/17/59/222191759.db2.gz AXPDJISFLNNPON-UHFFFAOYSA-N 1 2 336.783 1.699 20 5 EDBDLO CCOC(=O)c1ccnc(N(C)Cc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000135983122 287576788 /nfs/dbraw/zinc/57/67/88/287576788.db2.gz ABRINAXVKIFEMO-UHFFFAOYSA-N 1 2 331.332 1.780 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029807031 267382806 /nfs/dbraw/zinc/38/28/06/267382806.db2.gz IMMFRPSASCLRNG-UHFFFAOYSA-N 1 2 330.348 1.103 20 5 EDBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC(=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275294563 268316319 /nfs/dbraw/zinc/31/63/19/268316319.db2.gz YSNDDFJKKIUONV-LLVKDONJSA-N 1 2 335.360 1.843 20 5 EDBDLO COc1ccc(NC(=O)CC[N@H+]2CCC(=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275294563 268316321 /nfs/dbraw/zinc/31/63/21/268316321.db2.gz YSNDDFJKKIUONV-LLVKDONJSA-N 1 2 335.360 1.843 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000275302573 268318163 /nfs/dbraw/zinc/31/81/63/268318163.db2.gz ANXVGELOJKXJSY-BMIGLBTASA-N 1 2 346.343 1.684 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000274121478 273070754 /nfs/dbraw/zinc/07/07/54/273070754.db2.gz AZJKZZGALBFWFM-UHFFFAOYSA-N 1 2 341.371 1.964 20 5 EDBDLO Cc1ccnc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)c1[N+](=O)[O-] ZINC000275680163 273118796 /nfs/dbraw/zinc/11/87/96/273118796.db2.gz MAASUXTWGGQTAA-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO Cc1ccnc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)c1[N+](=O)[O-] ZINC000275680163 273118797 /nfs/dbraw/zinc/11/87/97/273118797.db2.gz MAASUXTWGGQTAA-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000275818504 273130892 /nfs/dbraw/zinc/13/08/92/273130892.db2.gz UOWQINBBWQHSOX-GFCCVEGCSA-N 1 2 346.366 1.817 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000275818504 273130893 /nfs/dbraw/zinc/13/08/93/273130893.db2.gz UOWQINBBWQHSOX-GFCCVEGCSA-N 1 2 346.366 1.817 20 5 EDBDLO C[C@@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000280737585 273392314 /nfs/dbraw/zinc/39/23/14/273392314.db2.gz JFBOYYLASSQDFH-IAQYHMDHSA-N 1 2 331.376 1.808 20 5 EDBDLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000284152856 274098147 /nfs/dbraw/zinc/09/81/47/274098147.db2.gz QMAKRHPXFAQBMF-CABCVRRESA-N 1 2 349.387 1.457 20 5 EDBDLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000284152856 274098148 /nfs/dbraw/zinc/09/81/48/274098148.db2.gz QMAKRHPXFAQBMF-CABCVRRESA-N 1 2 349.387 1.457 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000284411134 274192578 /nfs/dbraw/zinc/19/25/78/274192578.db2.gz HXNLZMUGJRGCCS-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000284411134 274192580 /nfs/dbraw/zinc/19/25/80/274192580.db2.gz HXNLZMUGJRGCCS-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO Cc1cc(N2C[C@@H](C)[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000284517536 274231360 /nfs/dbraw/zinc/23/13/60/274231360.db2.gz FHAQZPWQTQWLAD-QMTHXVAHSA-N 1 2 341.371 1.918 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284704348 274300698 /nfs/dbraw/zinc/30/06/98/274300698.db2.gz ZEVMGYFGYNMEDK-HZPDHXFCSA-N 1 2 347.415 1.804 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284704348 274300700 /nfs/dbraw/zinc/30/07/00/274300700.db2.gz ZEVMGYFGYNMEDK-HZPDHXFCSA-N 1 2 347.415 1.804 20 5 EDBDLO COC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284895645 274377743 /nfs/dbraw/zinc/37/77/43/274377743.db2.gz UNOGGDABZQZIOC-SECBINFHSA-N 1 2 345.193 1.723 20 5 EDBDLO COC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284895645 274377744 /nfs/dbraw/zinc/37/77/44/274377744.db2.gz UNOGGDABZQZIOC-SECBINFHSA-N 1 2 345.193 1.723 20 5 EDBDLO COc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000284915605 274385416 /nfs/dbraw/zinc/38/54/16/274385416.db2.gz CEXTYLJOLNARNL-CQSZACIVSA-N 1 2 347.375 1.784 20 5 EDBDLO COc1ccc(C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000284915605 274385418 /nfs/dbraw/zinc/38/54/18/274385418.db2.gz CEXTYLJOLNARNL-CQSZACIVSA-N 1 2 347.375 1.784 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286423210 288002393 /nfs/dbraw/zinc/00/23/93/288002393.db2.gz BGUNIINODSDFGX-BBRMVZONSA-N 1 2 333.388 1.459 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286491294 288018716 /nfs/dbraw/zinc/01/87/16/288018716.db2.gz LLSZSIVADVHMID-CJNGLKHVSA-N 1 2 348.403 1.599 20 5 EDBDLO 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C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000362679633 445495906 /nfs/dbraw/zinc/49/59/06/445495906.db2.gz FTLRMYMMSHOGKP-ZDUSSCGKSA-N 1 2 346.391 1.185 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000362679633 445495911 /nfs/dbraw/zinc/49/59/11/445495911.db2.gz FTLRMYMMSHOGKP-ZDUSSCGKSA-N 1 2 346.391 1.185 20 5 EDBDLO NC(=O)c1ccnc(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000357329877 445551054 /nfs/dbraw/zinc/55/10/54/445551054.db2.gz NCAVDQIOSNRXAH-UHFFFAOYSA-N 1 2 347.400 1.472 20 5 EDBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353749509 445737976 /nfs/dbraw/zinc/73/79/76/445737976.db2.gz LKZLXZMEDZTSJD-LLVKDONJSA-N 1 2 326.374 1.781 20 5 EDBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353749509 445737980 /nfs/dbraw/zinc/73/79/80/445737980.db2.gz LKZLXZMEDZTSJD-LLVKDONJSA-N 1 2 326.374 1.781 20 5 EDBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)Nc1ccncc1[N+](=O)[O-] ZINC000359027650 445895616 /nfs/dbraw/zinc/89/56/16/445895616.db2.gz HDOMRXCBTSEJJW-UHFFFAOYSA-N 1 2 344.253 1.492 20 5 EDBDLO Cn1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351028609 445975361 /nfs/dbraw/zinc/97/53/61/445975361.db2.gz VAHOQWMOBUESTK-CMPLNLGQSA-N 1 2 333.348 1.909 20 5 EDBDLO Cn1c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351028609 445975365 /nfs/dbraw/zinc/97/53/65/445975365.db2.gz VAHOQWMOBUESTK-CMPLNLGQSA-N 1 2 333.348 1.909 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000365101265 446025826 /nfs/dbraw/zinc/02/58/26/446025826.db2.gz QJQCSHOZNQVWQH-GFCCVEGCSA-N 1 2 329.360 1.643 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583145910 326012959 /nfs/dbraw/zinc/01/29/59/326012959.db2.gz CDWNNEMPEDJBMK-LLVKDONJSA-N 1 2 330.344 1.679 20 5 EDBDLO CN(CC1(O)CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354280599 446078185 /nfs/dbraw/zinc/07/81/85/446078185.db2.gz DQPCGZCTHXPXRP-UHFFFAOYSA-N 1 2 330.344 1.768 20 5 EDBDLO CN(c1cccnn1)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000361947420 446096447 /nfs/dbraw/zinc/09/64/47/446096447.db2.gz WZIJWAHILDRGEZ-UHFFFAOYSA-N 1 2 331.380 1.219 20 5 EDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354379073 446162443 /nfs/dbraw/zinc/16/24/43/446162443.db2.gz DRFXRZPURLYJEQ-UHFFFAOYSA-N 1 2 333.323 1.415 20 5 EDBDLO CO[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000359444520 446225311 /nfs/dbraw/zinc/22/53/11/446225311.db2.gz BPNVRKQIIBJDDM-INIZCTEOSA-N 1 2 346.343 1.316 20 5 EDBDLO C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000371049418 446598254 /nfs/dbraw/zinc/59/82/54/446598254.db2.gz PFCBKMMSHBNMSW-LLVKDONJSA-N 1 2 343.343 1.131 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368182338 446691286 /nfs/dbraw/zinc/69/12/86/446691286.db2.gz FEXZZBGRYGOYIJ-MRXNPFEDSA-N 1 2 348.403 1.300 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368182338 446691292 /nfs/dbraw/zinc/69/12/92/446691292.db2.gz FEXZZBGRYGOYIJ-MRXNPFEDSA-N 1 2 348.403 1.300 20 5 EDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCc4nnnn4CC3)c2c1 ZINC000420637261 446714080 /nfs/dbraw/zinc/71/40/80/446714080.db2.gz HXAWYNNLGOLGDM-LLVKDONJSA-N 1 2 325.332 1.947 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000368293331 446764757 /nfs/dbraw/zinc/76/47/57/446764757.db2.gz HRZQOLZYBDUJII-LLVKDONJSA-N 1 2 340.336 1.983 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000425005969 446987953 /nfs/dbraw/zinc/98/79/53/446987953.db2.gz WTQVXDHXCDCEJK-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000425005969 446987956 /nfs/dbraw/zinc/98/79/56/446987956.db2.gz WTQVXDHXCDCEJK-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413238486 447086586 /nfs/dbraw/zinc/08/65/86/447086586.db2.gz YCUBFGOBBXLSFN-GFCCVEGCSA-N 1 2 336.373 1.400 20 5 EDBDLO C[C@@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000413330652 447145778 /nfs/dbraw/zinc/14/57/78/447145778.db2.gz ASELHZHVMQMOQB-KRWDZBQOSA-N 1 2 348.403 1.508 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)nc2c1 ZINC000425500165 447194527 /nfs/dbraw/zinc/19/45/27/447194527.db2.gz CJVVCJPIGOINDQ-GFCCVEGCSA-N 1 2 327.348 1.900 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](n4ccnn4)C3)nc2c1 ZINC000425500165 447194537 /nfs/dbraw/zinc/19/45/37/447194537.db2.gz CJVVCJPIGOINDQ-GFCCVEGCSA-N 1 2 327.348 1.900 20 5 EDBDLO CNc1nc(C(=O)NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000455745611 447220492 /nfs/dbraw/zinc/22/04/92/447220492.db2.gz GIVVXDZHHFUNPW-UHFFFAOYSA-N 1 2 330.348 1.659 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCC[C@H]1O ZINC000450914250 447616373 /nfs/dbraw/zinc/61/63/73/447616373.db2.gz LXKOKRNWNTWLQL-WMLDXEAASA-N 1 2 335.404 2.000 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1C ZINC000408084968 447628208 /nfs/dbraw/zinc/62/82/08/447628208.db2.gz VOSNMHGBCIGGIW-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1C ZINC000408084968 447628213 /nfs/dbraw/zinc/62/82/13/447628213.db2.gz VOSNMHGBCIGGIW-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451923695 447784671 /nfs/dbraw/zinc/78/46/71/447784671.db2.gz ATIQBCDTIOAZFP-NSHDSACASA-N 1 2 338.389 1.992 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000496667907 447844771 /nfs/dbraw/zinc/84/47/71/447844771.db2.gz NUURMWHYURBAHN-HNNXBMFYSA-N 1 2 339.396 1.986 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000496667907 447844773 /nfs/dbraw/zinc/84/47/73/447844773.db2.gz NUURMWHYURBAHN-HNNXBMFYSA-N 1 2 339.396 1.986 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000578011258 448439606 /nfs/dbraw/zinc/43/96/06/448439606.db2.gz BNJGSEJXWCIUPQ-MRXNPFEDSA-N 1 2 332.360 1.054 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000578011258 448439612 /nfs/dbraw/zinc/43/96/12/448439612.db2.gz BNJGSEJXWCIUPQ-MRXNPFEDSA-N 1 2 332.360 1.054 20 5 EDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])c1C ZINC000537259447 448553591 /nfs/dbraw/zinc/55/35/91/448553591.db2.gz KMFVGWRWAYVDNG-UHFFFAOYSA-N 1 2 345.359 1.865 20 5 EDBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000567288368 448659310 /nfs/dbraw/zinc/65/93/10/448659310.db2.gz NQTDQYWATNBLGN-CYBMUJFWSA-N 1 2 343.387 1.845 20 5 EDBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000567288368 448659315 /nfs/dbraw/zinc/65/93/15/448659315.db2.gz NQTDQYWATNBLGN-CYBMUJFWSA-N 1 2 343.387 1.845 20 5 EDBDLO CNc1nccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000517959746 448634739 /nfs/dbraw/zinc/63/47/39/448634739.db2.gz LGAQFNRDXMZDFP-LLVKDONJSA-N 1 2 330.348 2.122 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000587866713 448845954 /nfs/dbraw/zinc/84/59/54/448845954.db2.gz PJVXWBMSTJKUIW-NSHDSACASA-N 1 2 331.332 1.814 20 5 EDBDLO COc1cncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000588953223 448953715 /nfs/dbraw/zinc/95/37/15/448953715.db2.gz KKRCQCLEICOMHH-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO C[C@@H]1C(=O)N(C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592727473 448963113 /nfs/dbraw/zinc/96/31/13/448963113.db2.gz BDAIONSHIAAQTQ-SNVBAGLBSA-N 1 2 329.316 1.041 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)co2)cc1 ZINC000593099967 449135024 /nfs/dbraw/zinc/13/50/24/449135024.db2.gz LNSOMZHJBJGLPE-ZDODERHWSA-N 1 2 333.369 1.955 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)co2)cc1 ZINC000593099967 449135025 /nfs/dbraw/zinc/13/50/25/449135025.db2.gz LNSOMZHJBJGLPE-ZDODERHWSA-N 1 2 333.369 1.955 20 5 EDBDLO C[C@@]1(C2CC2)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000595625808 449089024 /nfs/dbraw/zinc/08/90/24/449089024.db2.gz ONOMNCMWUHZGQF-SFHVURJKSA-N 1 2 345.399 1.985 20 5 EDBDLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000595625808 449089028 /nfs/dbraw/zinc/08/90/28/449089028.db2.gz ONOMNCMWUHZGQF-SFHVURJKSA-N 1 2 345.399 1.985 20 5 EDBDLO CO[C@@]1(CO)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595661612 449103628 /nfs/dbraw/zinc/10/36/28/449103628.db2.gz XRCHNMXYMXKDBV-INIZCTEOSA-N 1 2 348.359 1.618 20 5 EDBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595661612 449103634 /nfs/dbraw/zinc/10/36/34/449103634.db2.gz XRCHNMXYMXKDBV-INIZCTEOSA-N 1 2 348.359 1.618 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000611083939 449163412 /nfs/dbraw/zinc/16/34/12/449163412.db2.gz QTVQGDRAPGILIW-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000611083939 449163415 /nfs/dbraw/zinc/16/34/15/449163415.db2.gz QTVQGDRAPGILIW-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c[nH+]c2C1 ZINC000590379472 449139668 /nfs/dbraw/zinc/13/96/68/449139668.db2.gz TZXLSCOXAANCBQ-UHFFFAOYSA-N 1 2 343.343 1.023 20 5 EDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000590379472 449139673 /nfs/dbraw/zinc/13/96/73/449139673.db2.gz TZXLSCOXAANCBQ-UHFFFAOYSA-N 1 2 343.343 1.023 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595843491 449201885 /nfs/dbraw/zinc/20/18/85/449201885.db2.gz BNIGQBAZYTXSFY-UHFFFAOYSA-N 1 2 331.328 1.357 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595843491 449201890 /nfs/dbraw/zinc/20/18/90/449201890.db2.gz BNIGQBAZYTXSFY-UHFFFAOYSA-N 1 2 331.328 1.357 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597999877 449185682 /nfs/dbraw/zinc/18/56/82/449185682.db2.gz SQRMUZFGKWUSJT-QWRGUYRKSA-N 1 2 339.396 1.109 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597999877 449185684 /nfs/dbraw/zinc/18/56/84/449185684.db2.gz SQRMUZFGKWUSJT-QWRGUYRKSA-N 1 2 339.396 1.109 20 5 EDBDLO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000590680585 449244817 /nfs/dbraw/zinc/24/48/17/449244817.db2.gz BWBBAIMLJMARMG-LKFCYVNXSA-N 1 2 341.339 1.191 20 5 EDBDLO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000590680585 449244822 /nfs/dbraw/zinc/24/48/22/449244822.db2.gz BWBBAIMLJMARMG-LKFCYVNXSA-N 1 2 341.339 1.191 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970201 449253105 /nfs/dbraw/zinc/25/31/05/449253105.db2.gz MXTJAGGKQNIPDL-SWLSCSKDSA-N 1 2 348.403 1.865 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970201 449253107 /nfs/dbraw/zinc/25/31/07/449253107.db2.gz MXTJAGGKQNIPDL-SWLSCSKDSA-N 1 2 348.403 1.865 20 5 EDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000593387954 449258910 /nfs/dbraw/zinc/25/89/10/449258910.db2.gz BCPUACFCZCIMET-UHFFFAOYSA-N 1 2 343.387 1.898 20 5 EDBDLO C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000600422675 449367404 /nfs/dbraw/zinc/36/74/04/449367404.db2.gz XGPMUGFVTLCDGV-CMPLNLGQSA-N 1 2 325.340 1.284 20 5 EDBDLO C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000600422675 449367408 /nfs/dbraw/zinc/36/74/08/449367408.db2.gz XGPMUGFVTLCDGV-CMPLNLGQSA-N 1 2 325.340 1.284 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596666353 449594657 /nfs/dbraw/zinc/59/46/57/449594657.db2.gz IKRWDLCGXHDGKQ-NSHDSACASA-N 1 2 329.360 1.651 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596666353 449594661 /nfs/dbraw/zinc/59/46/61/449594661.db2.gz IKRWDLCGXHDGKQ-NSHDSACASA-N 1 2 329.360 1.651 20 5 EDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000598942602 449661446 /nfs/dbraw/zinc/66/14/46/449661446.db2.gz MYXNQPBVPSWGGQ-ZDUSSCGKSA-N 1 2 341.371 1.746 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1C ZINC000598949558 449665967 /nfs/dbraw/zinc/66/59/67/449665967.db2.gz VVRBLNZUFZXGAC-LBPRGKRZSA-N 1 2 330.344 1.853 20 5 EDBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594767117 449680692 /nfs/dbraw/zinc/68/06/92/449680692.db2.gz LRJSKQYRUSMHQM-NSHDSACASA-N 1 2 328.394 1.141 20 5 EDBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594767117 449680698 /nfs/dbraw/zinc/68/06/98/449680698.db2.gz LRJSKQYRUSMHQM-NSHDSACASA-N 1 2 328.394 1.141 20 5 EDBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594791290 449700599 /nfs/dbraw/zinc/70/05/99/449700599.db2.gz NQVJWEVZWGMPDI-VIFPVBQESA-N 1 2 333.435 1.807 20 5 EDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594791290 449700602 /nfs/dbraw/zinc/70/06/02/449700602.db2.gz NQVJWEVZWGMPDI-VIFPVBQESA-N 1 2 333.435 1.807 20 5 EDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000601131947 449707200 /nfs/dbraw/zinc/70/72/00/449707200.db2.gz SDTHFYMXINXHAP-SECBINFHSA-N 1 2 349.313 1.258 20 5 EDBDLO CS(=O)(=O)N1CC(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599069494 449716778 /nfs/dbraw/zinc/71/67/78/449716778.db2.gz GQCMZQQASZAMRC-UHFFFAOYSA-N 1 2 336.373 1.446 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc([N+](=O)[O-])s1 ZINC000599129574 449752875 /nfs/dbraw/zinc/75/28/75/449752875.db2.gz FMDRBGTWTHHYCT-CYBMUJFWSA-N 1 2 328.394 1.079 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc([N+](=O)[O-])s1 ZINC000599129574 449752879 /nfs/dbraw/zinc/75/28/79/449752879.db2.gz FMDRBGTWTHHYCT-CYBMUJFWSA-N 1 2 328.394 1.079 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(CC(F)(F)CO)CC2)cc1 ZINC000602875362 449884384 /nfs/dbraw/zinc/88/43/84/449884384.db2.gz MCZQTBRCTRIPQC-UHFFFAOYSA-N 1 2 345.346 1.219 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595369741 450083360 /nfs/dbraw/zinc/08/33/60/450083360.db2.gz AEWXUZNHLUMXAK-LBPRGKRZSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595369741 450083366 /nfs/dbraw/zinc/08/33/66/450083366.db2.gz AEWXUZNHLUMXAK-LBPRGKRZSA-N 1 2 331.369 1.248 20 5 EDBDLO Cc1noc(C[N@H+](C)CCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000595489612 450181108 /nfs/dbraw/zinc/18/11/08/450181108.db2.gz MUVBHPWZJUNRQB-UHFFFAOYSA-N 1 2 344.169 1.982 20 5 EDBDLO Cc1noc(C[N@@H+](C)CCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000595489612 450181113 /nfs/dbraw/zinc/18/11/13/450181113.db2.gz MUVBHPWZJUNRQB-UHFFFAOYSA-N 1 2 344.169 1.982 20 5 EDBDLO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000597708534 450211700 /nfs/dbraw/zinc/21/17/00/450211700.db2.gz AFXNRUZJEJYPQI-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597711007 450215541 /nfs/dbraw/zinc/21/55/41/450215541.db2.gz ZUHZKZNBCFGRJY-HNNXBMFYSA-N 1 2 349.387 1.297 20 5 EDBDLO CCOc1ccc(C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000601733253 450197237 /nfs/dbraw/zinc/19/72/37/450197237.db2.gz ADMFGDSHLUDVMN-CYBMUJFWSA-N 1 2 337.376 1.396 20 5 EDBDLO CCOc1ccc(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000601733253 450197240 /nfs/dbraw/zinc/19/72/40/450197240.db2.gz ADMFGDSHLUDVMN-CYBMUJFWSA-N 1 2 337.376 1.396 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601732860 450197404 /nfs/dbraw/zinc/19/74/04/450197404.db2.gz CXWOHJGJIUQHGH-NVXWUHKLSA-N 1 2 349.431 1.953 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000601732860 450197409 /nfs/dbraw/zinc/19/74/09/450197409.db2.gz CXWOHJGJIUQHGH-NVXWUHKLSA-N 1 2 349.431 1.953 20 5 EDBDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567708 450239413 /nfs/dbraw/zinc/23/94/13/450239413.db2.gz MOEJRPVOKDFFES-NSHDSACASA-N 1 2 336.270 1.392 20 5 EDBDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567708 450239420 /nfs/dbraw/zinc/23/94/20/450239420.db2.gz MOEJRPVOKDFFES-NSHDSACASA-N 1 2 336.270 1.392 20 5 EDBDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000595582740 450246940 /nfs/dbraw/zinc/24/69/40/450246940.db2.gz SEJJRARXQDXTCK-ZIAGYGMSSA-N 1 2 348.403 1.772 20 5 EDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccn2cc[nH+]c2c1 ZINC000619566765 450507398 /nfs/dbraw/zinc/50/73/98/450507398.db2.gz JEQHWKGFOJMQIO-UHFFFAOYSA-N 1 2 339.311 1.611 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])cc1F ZINC000184216433 533804205 /nfs/dbraw/zinc/80/42/05/533804205.db2.gz WKUTYSRBWSVKLV-GFCCVEGCSA-N 1 2 328.340 1.716 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])cc1F ZINC000184216433 533804215 /nfs/dbraw/zinc/80/42/15/533804215.db2.gz WKUTYSRBWSVKLV-GFCCVEGCSA-N 1 2 328.340 1.716 20 5 EDBDLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000187410861 528021589 /nfs/dbraw/zinc/02/15/89/528021589.db2.gz QXGYBAXHUSEOHP-HNNXBMFYSA-N 1 2 332.360 1.555 20 5 EDBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000181644652 528577069 /nfs/dbraw/zinc/57/70/69/528577069.db2.gz FCJACHCGOFOPNH-AWEZNQCLSA-N 1 2 342.417 1.869 20 5 EDBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000181644652 528577073 /nfs/dbraw/zinc/57/70/73/528577073.db2.gz FCJACHCGOFOPNH-AWEZNQCLSA-N 1 2 342.417 1.869 20 5 EDBDLO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1=O ZINC000339756899 535934129 /nfs/dbraw/zinc/93/41/29/535934129.db2.gz CYMVFZLKQOKQFF-UHFFFAOYSA-N 1 2 346.343 1.276 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000270463010 536697084 /nfs/dbraw/zinc/69/70/84/536697084.db2.gz KVSVOFHMGSWRGQ-ZDUSSCGKSA-N 1 2 332.316 1.140 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000270463010 536697085 /nfs/dbraw/zinc/69/70/85/536697085.db2.gz KVSVOFHMGSWRGQ-ZDUSSCGKSA-N 1 2 332.316 1.140 20 5 EDBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741145209 579398863 /nfs/dbraw/zinc/39/88/63/579398863.db2.gz PKSRMVIPIIXAJW-ZDUSSCGKSA-N 1 2 339.323 1.700 20 5 EDBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000741145209 579398864 /nfs/dbraw/zinc/39/88/64/579398864.db2.gz PKSRMVIPIIXAJW-ZDUSSCGKSA-N 1 2 339.323 1.700 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000755950084 579939308 /nfs/dbraw/zinc/93/93/08/579939308.db2.gz NJWWBYNOBTXELK-QFIPXVFZSA-N 1 2 345.852 1.744 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767518957 580191784 /nfs/dbraw/zinc/19/17/84/580191784.db2.gz NSKRXIZYZNBKKM-BETUJISGSA-N 1 2 336.344 1.623 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767518957 580191785 /nfs/dbraw/zinc/19/17/85/580191785.db2.gz NSKRXIZYZNBKKM-BETUJISGSA-N 1 2 336.344 1.623 20 5 EDBDLO COc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000768499454 580214712 /nfs/dbraw/zinc/21/47/12/580214712.db2.gz FYMDNDFGTIYUND-HSZRJFAPSA-N 1 2 345.396 1.243 20 5 EDBDLO COc1cccc(N2CC[NH+](CC[S@@](C)=O)CC2)c1[N+](=O)[O-] ZINC000772073705 580302785 /nfs/dbraw/zinc/30/27/85/580302785.db2.gz CNVYYCLOFLRNLE-JOCHJYFZSA-N 1 2 327.406 1.104 20 5 EDBDLO C[C@@H](C(=O)OCCOc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000774981365 580379784 /nfs/dbraw/zinc/37/97/84/580379784.db2.gz MHMXRPCSNPYGAE-LBPRGKRZSA-N 1 2 340.401 1.954 20 5 EDBDLO C[C@H](O)c1cn(C2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000779619662 580491584 /nfs/dbraw/zinc/49/15/84/580491584.db2.gz JKBFFDJDNGSDNM-RNZFLTOJSA-N 1 2 329.360 1.810 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783566082 580601416 /nfs/dbraw/zinc/60/14/16/580601416.db2.gz FVADRJFMERBBRU-LLVKDONJSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783566082 580601417 /nfs/dbraw/zinc/60/14/17/580601417.db2.gz FVADRJFMERBBRU-LLVKDONJSA-N 1 2 347.824 1.762 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000784904469 580631076 /nfs/dbraw/zinc/63/10/76/580631076.db2.gz GHPLAPWTHHKCFW-CYBMUJFWSA-N 1 2 337.376 1.295 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000784915495 580631663 /nfs/dbraw/zinc/63/16/63/580631663.db2.gz VOPJVYLROJBRSH-JTQLQIEISA-N 1 2 338.316 1.201 20 5 EDBDLO Nc1cc(COC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc[nH+]1 ZINC000791885128 580804471 /nfs/dbraw/zinc/80/44/71/580804471.db2.gz QXFBHTVTSPAPQS-UHFFFAOYSA-N 1 2 340.299 1.510 20 5 EDBDLO COCCC[N@H+](CCOC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794624530 580900116 /nfs/dbraw/zinc/90/01/16/580900116.db2.gz YSFGXDVVYKOKID-UHFFFAOYSA-N 1 2 339.348 1.445 20 5 EDBDLO COCCC[N@@H+](CCOC)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794624530 580900117 /nfs/dbraw/zinc/90/01/17/580900117.db2.gz YSFGXDVVYKOKID-UHFFFAOYSA-N 1 2 339.348 1.445 20 5 EDBDLO C[C@H](O)c1cccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]1 ZINC000891756337 591213000 /nfs/dbraw/zinc/21/30/00/591213000.db2.gz LBFAZPBYKJMPCW-LBPRGKRZSA-N 1 2 329.360 1.765 20 5 EDBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896536072 591501118 /nfs/dbraw/zinc/50/11/18/591501118.db2.gz UXVFHBKPZHQWDZ-ZFVVBOAOSA-N 1 2 346.431 1.449 20 5 EDBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896536072 591501119 /nfs/dbraw/zinc/50/11/19/591501119.db2.gz UXVFHBKPZHQWDZ-ZFVVBOAOSA-N 1 2 346.431 1.449 20 5 EDBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1C(=O)NC)C2 ZINC000896660001 591565823 /nfs/dbraw/zinc/56/58/23/591565823.db2.gz QLWWUTBATJKYAE-UHFFFAOYSA-N 1 2 329.360 1.734 20 5 EDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@]2(CCCOC2)C1=O ZINC000902268026 591965813 /nfs/dbraw/zinc/96/58/13/591965813.db2.gz HDYOPUPFKYMNLR-KRWDZBQOSA-N 1 2 333.388 1.666 20 5 EDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@]2(CCCOC2)C1=O ZINC000902268026 591965814 /nfs/dbraw/zinc/96/58/14/591965814.db2.gz HDYOPUPFKYMNLR-KRWDZBQOSA-N 1 2 333.388 1.666 20 5 EDBDLO Cc1cn(C[N@@H+]2CCO[C@@H](C)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000905739021 592633350 /nfs/dbraw/zinc/63/33/50/592633350.db2.gz NVHICAOOOOHURB-AWEZNQCLSA-N 1 2 346.387 1.924 20 5 EDBDLO Cc1cn(C[N@H+]2CCO[C@@H](C)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000905739021 592633353 /nfs/dbraw/zinc/63/33/53/592633353.db2.gz NVHICAOOOOHURB-AWEZNQCLSA-N 1 2 346.387 1.924 20 5 EDBDLO C[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000905743413 592634796 /nfs/dbraw/zinc/63/47/96/592634796.db2.gz QABNATDSTDSGSG-MLGOLLRUSA-N 1 2 335.360 1.600 20 5 EDBDLO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000905743413 592634798 /nfs/dbraw/zinc/63/47/98/592634798.db2.gz QABNATDSTDSGSG-MLGOLLRUSA-N 1 2 335.360 1.600 20 5 EDBDLO COc1cc(OCC(=O)O[C@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802242205 593238090 /nfs/dbraw/zinc/23/80/90/593238090.db2.gz GFHXGICQNIPYTH-LBPRGKRZSA-N 1 2 342.323 1.569 20 5 EDBDLO COc1cc(OCC(=O)O[C@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802242205 593238091 /nfs/dbraw/zinc/23/80/91/593238091.db2.gz GFHXGICQNIPYTH-LBPRGKRZSA-N 1 2 342.323 1.569 20 5 EDBDLO CO[C@@H]1CCC[N@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000103265064 593239716 /nfs/dbraw/zinc/23/97/16/593239716.db2.gz FEAOTBTYMOCSNL-CQSZACIVSA-N 1 2 346.387 1.924 20 5 EDBDLO CO[C@@H]1CCC[N@@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000103265064 593239718 /nfs/dbraw/zinc/23/97/18/593239718.db2.gz FEAOTBTYMOCSNL-CQSZACIVSA-N 1 2 346.387 1.924 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839494623 593308040 /nfs/dbraw/zinc/30/80/40/593308040.db2.gz OLRZBJPOTHCKBG-UPJWGTAASA-N 1 2 334.763 1.944 20 5 EDBDLO Cn1ncc2c1CCC[N@H+](Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000840173394 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/nfs/dbraw/zinc/37/11/81/306371181.db2.gz HFNFPXGGVJPHBR-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183438372 138784280 /nfs/dbraw/zinc/78/42/80/138784280.db2.gz VRZZQHJNVVBETK-UHFFFAOYSA-N 1 2 328.328 1.975 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000565220611 306379285 /nfs/dbraw/zinc/37/92/85/306379285.db2.gz FNRRSRWDJVZHQZ-LBPRGKRZSA-N 1 2 348.403 1.393 20 5 EDBDLO CCn1cc[nH+]c1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000195517438 139019307 /nfs/dbraw/zinc/01/93/07/139019307.db2.gz MWVMEBTXSKNDFT-MRXNPFEDSA-N 1 2 343.343 1.778 20 5 EDBDLO CC[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000247705202 139154248 /nfs/dbraw/zinc/15/42/48/139154248.db2.gz RWGMHBISUQSEBW-DOMZBBRYSA-N 1 2 333.388 1.983 20 5 EDBDLO CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000247705202 139154249 /nfs/dbraw/zinc/15/42/49/139154249.db2.gz RWGMHBISUQSEBW-DOMZBBRYSA-N 1 2 333.388 1.983 20 5 EDBDLO NC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092754377 218164670 /nfs/dbraw/zinc/16/46/70/218164670.db2.gz PGIIFAODKQJYJJ-UHFFFAOYSA-N 1 2 344.318 1.783 20 5 EDBDLO NC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092754377 218164673 /nfs/dbraw/zinc/16/46/73/218164673.db2.gz PGIIFAODKQJYJJ-UHFFFAOYSA-N 1 2 344.318 1.783 20 5 EDBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000112704865 220381139 /nfs/dbraw/zinc/38/11/39/220381139.db2.gz NUZXEBADNQCQIJ-NSHDSACASA-N 1 2 330.406 1.858 20 5 EDBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000112704865 220381143 /nfs/dbraw/zinc/38/11/43/220381143.db2.gz NUZXEBADNQCQIJ-NSHDSACASA-N 1 2 330.406 1.858 20 5 EDBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742322 255260274 /nfs/dbraw/zinc/26/02/74/255260274.db2.gz MGMWTBALYZVCEE-VXGBXAGGSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742322 255260275 /nfs/dbraw/zinc/26/02/75/255260275.db2.gz MGMWTBALYZVCEE-VXGBXAGGSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742321 255260514 /nfs/dbraw/zinc/26/05/14/255260514.db2.gz MGMWTBALYZVCEE-RYUDHWBXSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742321 255260515 /nfs/dbraw/zinc/26/05/15/255260515.db2.gz MGMWTBALYZVCEE-RYUDHWBXSA-N 1 2 339.396 1.984 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCN(C2CC2)CC1 ZINC000117336806 221054798 /nfs/dbraw/zinc/05/47/98/221054798.db2.gz NMQQDQIZIOZTBL-UHFFFAOYSA-N 1 2 346.387 1.673 20 5 EDBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCC(F)(F)F ZINC000369670873 155132227 /nfs/dbraw/zinc/13/22/27/155132227.db2.gz QDOCYKOTLOFXFD-UHFFFAOYSA-N 1 2 335.286 1.107 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000270928473 140200887 /nfs/dbraw/zinc/20/08/87/140200887.db2.gz POLILHMASWMQFU-GFCCVEGCSA-N 1 2 338.389 1.342 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000332396250 141175011 /nfs/dbraw/zinc/17/50/11/141175011.db2.gz FEAVQQBODDCNHW-NHYWBVRUSA-N 1 2 345.359 1.682 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332533818 141197960 /nfs/dbraw/zinc/19/79/60/141197960.db2.gz XBTWFSWFBBXMFO-DZGCQCFKSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332533818 141197962 /nfs/dbraw/zinc/19/79/62/141197962.db2.gz XBTWFSWFBBXMFO-DZGCQCFKSA-N 1 2 335.360 1.149 20 5 EDBDLO COCC(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347336578 143310187 /nfs/dbraw/zinc/31/01/87/143310187.db2.gz AWQCQJMBKZOQQR-GXDHUFHOSA-N 1 2 333.388 1.789 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](F)C[C@H]1CO ZINC000347436622 143320761 /nfs/dbraw/zinc/32/07/61/143320761.db2.gz KSEDSIRORAJTKZ-NEPJUHHUSA-N 1 2 334.307 1.325 20 5 EDBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000416526921 304328906 /nfs/dbraw/zinc/32/89/06/304328906.db2.gz BWLYKSWWWZZHSY-UHFFFAOYSA-N 1 2 344.780 1.503 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352817034 149178499 /nfs/dbraw/zinc/17/84/99/149178499.db2.gz QGGXCGPFELMCEZ-ICCXJUOJSA-N 1 2 334.332 1.397 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352817034 149178501 /nfs/dbraw/zinc/17/85/01/149178501.db2.gz QGGXCGPFELMCEZ-ICCXJUOJSA-N 1 2 334.332 1.397 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353403905 149393360 /nfs/dbraw/zinc/39/33/60/149393360.db2.gz NFUGSEFKRSNQMW-OAHLLOKOSA-N 1 2 343.387 1.534 20 5 EDBDLO CCn1ncnc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000355583270 150324392 /nfs/dbraw/zinc/32/43/92/150324392.db2.gz MACZUIKJESIXDV-UHFFFAOYSA-N 1 2 341.375 1.897 20 5 EDBDLO Cc1c(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000358137124 151284643 /nfs/dbraw/zinc/28/46/43/151284643.db2.gz HKGLGLQFNGOGGR-HUUCEWRRSA-N 1 2 334.376 1.128 20 5 EDBDLO Cc1c(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000358137124 151284645 /nfs/dbraw/zinc/28/46/45/151284645.db2.gz HKGLGLQFNGOGGR-HUUCEWRRSA-N 1 2 334.376 1.128 20 5 EDBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359624529 151771280 /nfs/dbraw/zinc/77/12/80/151771280.db2.gz MYCHESMQNQDNKY-LBPRGKRZSA-N 1 2 342.355 1.775 20 5 EDBDLO Cc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000360494802 152067226 /nfs/dbraw/zinc/06/72/26/152067226.db2.gz HSYJAAWMMZMZQR-NSHDSACASA-N 1 2 338.389 1.714 20 5 EDBDLO CN(CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000361277610 152351691 /nfs/dbraw/zinc/35/16/91/152351691.db2.gz COJGZDKMGWHPKR-NSHDSACASA-N 1 2 329.360 1.428 20 5 EDBDLO CN(CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000361277610 152351692 /nfs/dbraw/zinc/35/16/92/152351692.db2.gz COJGZDKMGWHPKR-NSHDSACASA-N 1 2 329.360 1.428 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000363918846 153096138 /nfs/dbraw/zinc/09/61/38/153096138.db2.gz IGKZUJUPWDJTIX-JTQLQIEISA-N 1 2 339.421 1.144 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000363918846 153096139 /nfs/dbraw/zinc/09/61/39/153096139.db2.gz IGKZUJUPWDJTIX-JTQLQIEISA-N 1 2 339.421 1.144 20 5 EDBDLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000185141991 286457180 /nfs/dbraw/zinc/45/71/80/286457180.db2.gz JXSKJAJXZDZLOM-GFCCVEGCSA-N 1 2 348.403 1.393 20 5 EDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000370554531 155552008 /nfs/dbraw/zinc/55/20/08/155552008.db2.gz BXUGQSBFPYAWLO-KRWDZBQOSA-N 1 2 349.387 1.206 20 5 EDBDLO Cc1cc(OCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000370561257 155553860 /nfs/dbraw/zinc/55/38/60/155553860.db2.gz JHDPIXCMKNOTRP-CQSZACIVSA-N 1 2 349.387 1.215 20 5 EDBDLO Cc1nc(CN2CCC[C@H]([N@@H+](C)Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000371826893 156127907 /nfs/dbraw/zinc/12/79/07/156127907.db2.gz OAXDSEIMHDMVNJ-LBPRGKRZSA-N 1 2 349.395 1.116 20 5 EDBDLO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000371826893 156127911 /nfs/dbraw/zinc/12/79/11/156127911.db2.gz OAXDSEIMHDMVNJ-LBPRGKRZSA-N 1 2 349.395 1.116 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374082167 157136499 /nfs/dbraw/zinc/13/64/99/157136499.db2.gz UDHZONZRAQTXKO-BETUJISGSA-N 1 2 328.328 1.784 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374567699 157329985 /nfs/dbraw/zinc/32/99/85/157329985.db2.gz YVFNNGKSVSNORL-GFCCVEGCSA-N 1 2 347.375 1.563 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374567699 157329986 /nfs/dbraw/zinc/32/99/86/157329986.db2.gz YVFNNGKSVSNORL-GFCCVEGCSA-N 1 2 347.375 1.563 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000374680232 157364848 /nfs/dbraw/zinc/36/48/48/157364848.db2.gz PTVIEXLECDZBQD-UHFFFAOYSA-N 1 2 332.364 1.346 20 5 EDBDLO Cc1c(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000377955822 158038830 /nfs/dbraw/zinc/03/88/30/158038830.db2.gz FBDIWFLFSWGTDN-SNVBAGLBSA-N 1 2 343.343 1.239 20 5 EDBDLO Cc1c(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000377955822 158038832 /nfs/dbraw/zinc/03/88/32/158038832.db2.gz FBDIWFLFSWGTDN-SNVBAGLBSA-N 1 2 343.343 1.239 20 5 EDBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000378329489 158143034 /nfs/dbraw/zinc/14/30/34/158143034.db2.gz YXYUVEQAEBUOLR-JTQLQIEISA-N 1 2 331.332 1.355 20 5 EDBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000378329489 158143035 /nfs/dbraw/zinc/14/30/35/158143035.db2.gz YXYUVEQAEBUOLR-JTQLQIEISA-N 1 2 331.332 1.355 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000408053735 158251260 /nfs/dbraw/zinc/25/12/60/158251260.db2.gz YZZNOFWMEBAQSA-ZIAGYGMSSA-N 1 2 338.339 1.671 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000408053735 158251261 /nfs/dbraw/zinc/25/12/61/158251261.db2.gz YZZNOFWMEBAQSA-ZIAGYGMSSA-N 1 2 338.339 1.671 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356786839 162279506 /nfs/dbraw/zinc/27/95/06/162279506.db2.gz VDBFYIOOVROBTQ-ZDUSSCGKSA-N 1 2 343.343 1.534 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000127027043 287431730 /nfs/dbraw/zinc/43/17/30/287431730.db2.gz SHDHFOXKUYSRTJ-UHFFFAOYSA-N 1 2 337.376 1.079 20 5 EDBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348183 268031956 /nfs/dbraw/zinc/03/19/56/268031956.db2.gz OUBJHXUSAUNTOQ-WHLKRNRTSA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348183 268031959 /nfs/dbraw/zinc/03/19/59/268031959.db2.gz OUBJHXUSAUNTOQ-WHLKRNRTSA-N 1 2 342.417 1.176 20 5 EDBDLO COCC1(O)CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000274270624 268118436 /nfs/dbraw/zinc/11/84/36/268118436.db2.gz AUKAFWHVBMSWLH-UHFFFAOYSA-N 1 2 328.340 1.716 20 5 EDBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275751526 268371862 /nfs/dbraw/zinc/37/18/62/268371862.db2.gz RUOBHKOEIXWUTN-MNOVXSKESA-N 1 2 332.364 1.791 20 5 EDBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)c[nH+]2)CCO1 ZINC000273155726 273030308 /nfs/dbraw/zinc/03/03/08/273030308.db2.gz JCJAUPTWLFACAJ-NSHDSACASA-N 1 2 330.348 1.617 20 5 EDBDLO CCOCCOC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273752688 273052814 /nfs/dbraw/zinc/05/28/14/273052814.db2.gz XCCJCDPOMRGQOQ-CYBMUJFWSA-N 1 2 340.376 1.072 20 5 EDBDLO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1=O ZINC000275067243 273099495 /nfs/dbraw/zinc/09/94/95/273099495.db2.gz OLNLHRWRVMKXCG-UHFFFAOYSA-N 1 2 346.343 1.276 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275737652 273124078 /nfs/dbraw/zinc/12/40/78/273124078.db2.gz PLIMTMWWDKGTRD-ZDUSSCGKSA-N 1 2 328.376 1.799 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275737652 273124079 /nfs/dbraw/zinc/12/40/79/273124079.db2.gz PLIMTMWWDKGTRD-ZDUSSCGKSA-N 1 2 328.376 1.799 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000276489201 273166130 /nfs/dbraw/zinc/16/61/30/273166130.db2.gz ORFIJZMDSBIBNL-INIZCTEOSA-N 1 2 349.387 1.483 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000276489201 273166131 /nfs/dbraw/zinc/16/61/31/273166131.db2.gz ORFIJZMDSBIBNL-INIZCTEOSA-N 1 2 349.387 1.483 20 5 EDBDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000284574464 274249623 /nfs/dbraw/zinc/24/96/23/274249623.db2.gz NLXFIPVJISYOEL-WFASDCNBSA-N 1 2 345.355 1.929 20 5 EDBDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000284574464 274249625 /nfs/dbraw/zinc/24/96/25/274249625.db2.gz NLXFIPVJISYOEL-WFASDCNBSA-N 1 2 345.355 1.929 20 5 EDBDLO COC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284895651 274377709 /nfs/dbraw/zinc/37/77/09/274377709.db2.gz UNOGGDABZQZIOC-VIFPVBQESA-N 1 2 345.193 1.723 20 5 EDBDLO COC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284895651 274377711 /nfs/dbraw/zinc/37/77/11/274377711.db2.gz UNOGGDABZQZIOC-VIFPVBQESA-N 1 2 345.193 1.723 20 5 EDBDLO CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000284898309 274378483 /nfs/dbraw/zinc/37/84/83/274378483.db2.gz SCJKNVBHBLKZBO-QWHCGFSZSA-N 1 2 346.343 1.002 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000285910854 287888950 /nfs/dbraw/zinc/88/89/50/287888950.db2.gz DJLNTUQKAPNBIR-AWEZNQCLSA-N 1 2 328.328 1.482 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C 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CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000451069226 447667573 /nfs/dbraw/zinc/66/75/73/447667573.db2.gz SSKHDGFBBXLTLH-GFCCVEGCSA-N 1 2 337.376 1.132 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451866776 447768311 /nfs/dbraw/zinc/76/83/11/447768311.db2.gz WYIAGLYMMGMERD-OCCSQVGLSA-N 1 2 346.387 1.537 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451866776 447768313 /nfs/dbraw/zinc/76/83/13/447768313.db2.gz WYIAGLYMMGMERD-OCCSQVGLSA-N 1 2 346.387 1.537 20 5 EDBDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000488094344 447841933 /nfs/dbraw/zinc/84/19/33/447841933.db2.gz PYSHSOGPNXDQDA-BLLLJJGKSA-N 1 2 348.403 1.818 20 5 EDBDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000488094344 447841935 /nfs/dbraw/zinc/84/19/35/447841935.db2.gz PYSHSOGPNXDQDA-BLLLJJGKSA-N 1 2 348.403 1.818 20 5 EDBDLO 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ZINC000596431729 449499042 /nfs/dbraw/zinc/49/90/42/449499042.db2.gz QDMVKMMPCGIRDL-NWDGAFQWSA-N 1 2 337.376 1.903 20 5 EDBDLO COCC1([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000612110840 449567895 /nfs/dbraw/zinc/56/78/95/449567895.db2.gz ZZDNEAWCXNFMPP-UHFFFAOYSA-N 1 2 328.390 1.479 20 5 EDBDLO COCC1([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000612110840 449567898 /nfs/dbraw/zinc/56/78/98/449567898.db2.gz ZZDNEAWCXNFMPP-UHFFFAOYSA-N 1 2 328.390 1.479 20 5 EDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944541 449662653 /nfs/dbraw/zinc/66/26/53/449662653.db2.gz PLCBDMFKRHJCLF-GFCCVEGCSA-N 1 2 325.328 1.487 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612680952 449833156 /nfs/dbraw/zinc/83/31/56/449833156.db2.gz BELOWXTXDBODRB-LBPRGKRZSA-N 1 2 327.406 1.451 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612680952 449833158 /nfs/dbraw/zinc/83/31/58/449833158.db2.gz BELOWXTXDBODRB-LBPRGKRZSA-N 1 2 327.406 1.451 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595219766 449955805 /nfs/dbraw/zinc/95/58/05/449955805.db2.gz QBUYYZQAZCJKBT-SNVBAGLBSA-N 1 2 331.332 1.453 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602950259 449952328 /nfs/dbraw/zinc/95/23/28/449952328.db2.gz JJURHYCLSVGNAD-GOEBONIOSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602950259 449952334 /nfs/dbraw/zinc/95/23/34/449952334.db2.gz JJURHYCLSVGNAD-GOEBONIOSA-N 1 2 338.360 1.626 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](Cc4cn[nH]c4)CC3)nc2c1 ZINC000599437969 449975266 /nfs/dbraw/zinc/97/52/66/449975266.db2.gz AGGNPBGIMQYTGM-UHFFFAOYSA-N 1 2 341.375 1.512 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601574676 450084936 /nfs/dbraw/zinc/08/49/36/450084936.db2.gz RIGBCYJNQWFPRM-VXGBXAGGSA-N 1 2 337.351 1.669 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000618283304 450116150 /nfs/dbraw/zinc/11/61/50/450116150.db2.gz KVILKTONBWQSSJ-ZDUSSCGKSA-N 1 2 331.376 1.378 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](N4CCOCC4)C3)nc2c1 ZINC000618283304 450116154 /nfs/dbraw/zinc/11/61/54/450116154.db2.gz KVILKTONBWQSSJ-ZDUSSCGKSA-N 1 2 331.376 1.378 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](N4CCOCC4)C3)nc2c1 ZINC000618283304 450116156 /nfs/dbraw/zinc/11/61/56/450116156.db2.gz KVILKTONBWQSSJ-ZDUSSCGKSA-N 1 2 331.376 1.378 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599705662 450167534 /nfs/dbraw/zinc/16/75/34/450167534.db2.gz YLCZDLMQIGSIPV-ZDUSSCGKSA-N 1 2 334.376 1.524 20 5 EDBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599705662 450167539 /nfs/dbraw/zinc/16/75/39/450167539.db2.gz YLCZDLMQIGSIPV-ZDUSSCGKSA-N 1 2 334.376 1.524 20 5 EDBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709411 450212393 /nfs/dbraw/zinc/21/23/93/450212393.db2.gz JMWBYIOYVYOVDG-AWEZNQCLSA-N 1 2 349.387 1.297 20 5 EDBDLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000601728005 450191577 /nfs/dbraw/zinc/19/15/77/450191577.db2.gz LAEKXJSBQMITOW-UHFFFAOYSA-N 1 2 344.371 1.597 20 5 EDBDLO CC(C)c1ccc(CN2CC[NH+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000603633278 450337889 /nfs/dbraw/zinc/33/78/89/450337889.db2.gz NDBUVSMRBWLGAR-UHFFFAOYSA-N 1 2 348.447 1.924 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000619494571 450491317 /nfs/dbraw/zinc/49/13/17/450491317.db2.gz QOMDVCAKDLBRAT-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000619494571 450491320 /nfs/dbraw/zinc/49/13/20/450491320.db2.gz QOMDVCAKDLBRAT-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000426836409 486886483 /nfs/dbraw/zinc/88/64/83/486886483.db2.gz UKPMMWAKWFIKBX-AWEZNQCLSA-N 1 2 337.767 1.472 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184246944 533808615 /nfs/dbraw/zinc/80/86/15/533808615.db2.gz CEWITMIVCHGJGU-LBPRGKRZSA-N 1 2 325.340 1.843 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184246944 533808619 /nfs/dbraw/zinc/80/86/19/533808619.db2.gz CEWITMIVCHGJGU-LBPRGKRZSA-N 1 2 325.340 1.843 20 5 EDBDLO CCCN(CC(=O)OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171537556 527904009 /nfs/dbraw/zinc/90/40/09/527904009.db2.gz BWSYGPNCWCJBNW-UHFFFAOYSA-N 1 2 346.343 1.806 20 5 EDBDLO CCO[C@H]1C[C@]([NH2+]CCn2ccc([N+](=O)[O-])n2)(C(=O)OC)C1(C)C ZINC000189840727 528161045 /nfs/dbraw/zinc/16/10/45/528161045.db2.gz AFWAQSVETQJQFS-NHYWBVRUSA-N 1 2 340.380 1.128 20 5 EDBDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331323705 534940254 /nfs/dbraw/zinc/94/02/54/534940254.db2.gz FSVIUHKMHZJMEY-QHCPKHFHSA-N 1 2 339.417 1.766 20 5 EDBDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000331323705 534940255 /nfs/dbraw/zinc/94/02/55/534940255.db2.gz FSVIUHKMHZJMEY-QHCPKHFHSA-N 1 2 339.417 1.766 20 5 EDBDLO CC(C)OCCC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000740857524 579387055 /nfs/dbraw/zinc/38/70/55/579387055.db2.gz QBKDLIRXBHIFMQ-UHFFFAOYSA-N 1 2 335.360 1.895 20 5 EDBDLO CC(C)OCCC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000740857524 579387056 /nfs/dbraw/zinc/38/70/56/579387056.db2.gz QBKDLIRXBHIFMQ-UHFFFAOYSA-N 1 2 335.360 1.895 20 5 EDBDLO Cc1cccn2cc(COC(=O)CCn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000728339320 578546466 /nfs/dbraw/zinc/54/64/66/578546466.db2.gz VBJHWKUXFPXPNY-UHFFFAOYSA-N 1 2 329.316 1.881 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741143593 578649683 /nfs/dbraw/zinc/64/96/83/578649683.db2.gz KRMBCVUIXXYFRL-QHCPKHFHSA-N 1 2 339.417 1.040 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000750236876 579756565 /nfs/dbraw/zinc/75/65/65/579756565.db2.gz VCXGRPMHWBNDMJ-UHFFFAOYSA-N 1 2 331.288 1.705 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000755253816 579923681 /nfs/dbraw/zinc/92/36/81/579923681.db2.gz FGSFPVVBOPRUOB-CMPYXILNSA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000755253816 579923682 /nfs/dbraw/zinc/92/36/82/579923682.db2.gz FGSFPVVBOPRUOB-CMPYXILNSA-N 1 2 333.388 1.835 20 5 EDBDLO CCOc1cc(N2CC[NH+](CC[S@](C)=O)CC2)ccc1[N+](=O)[O-] ZINC000771148694 580281000 /nfs/dbraw/zinc/28/10/00/580281000.db2.gz WZJNEXRDIUMQJT-QHCPKHFHSA-N 1 2 341.433 1.494 20 5 EDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCCn1cc[nH+]c1 ZINC000771857472 580296778 /nfs/dbraw/zinc/29/67/78/580296778.db2.gz ILOZADCMBKVWNR-UHFFFAOYSA-N 1 2 332.316 1.155 20 5 EDBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000775676858 580396947 /nfs/dbraw/zinc/39/69/47/580396947.db2.gz NJPRANNSZGZEAX-UHFFFAOYSA-N 1 2 333.435 1.577 20 5 EDBDLO COC(=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000776588678 580422783 /nfs/dbraw/zinc/42/27/83/580422783.db2.gz NQFVVABKFSHKPY-HNNXBMFYSA-N 1 2 338.360 1.282 20 5 EDBDLO COC(=O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000776588678 580422784 /nfs/dbraw/zinc/42/27/84/580422784.db2.gz NQFVVABKFSHKPY-HNNXBMFYSA-N 1 2 338.360 1.282 20 5 EDBDLO CN(C)c1cc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc[nH+]1 ZINC000782109525 580566459 /nfs/dbraw/zinc/56/64/59/580566459.db2.gz CEUVXYIZHKUYCD-UHFFFAOYSA-N 1 2 325.328 1.814 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621169 580580781 /nfs/dbraw/zinc/58/07/81/580580781.db2.gz LBRRAMTZRLQQRO-FCHSOHFDSA-N 1 2 339.779 1.889 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621169 580580782 /nfs/dbraw/zinc/58/07/82/580580782.db2.gz LBRRAMTZRLQQRO-FCHSOHFDSA-N 1 2 339.779 1.889 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783566738 580601372 /nfs/dbraw/zinc/60/13/72/580601372.db2.gz OVQHMKYGFMWUSP-UHFFFAOYSA-N 1 2 347.824 1.762 20 5 EDBDLO CC(C)OC[C@H](O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676858 580649915 /nfs/dbraw/zinc/64/99/15/580649915.db2.gz HNVRJJFELIYWFP-ZDUSSCGKSA-N 1 2 349.343 1.723 20 5 EDBDLO COc1cc(C(=O)OCc2cc[nH+]c(N)c2)c([N+](=O)[O-])cc1OC ZINC000787564071 580698152 /nfs/dbraw/zinc/69/81/52/580698152.db2.gz OJEVDJHEAZVHRZ-UHFFFAOYSA-N 1 2 333.300 1.946 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(C2OCCO2)CC1 ZINC000794631108 580900771 /nfs/dbraw/zinc/90/07/71/580900771.db2.gz KNDVDGQXPQELMJ-UHFFFAOYSA-N 1 2 349.343 1.545 20 5 EDBDLO COc1ccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000900299751 591979829 /nfs/dbraw/zinc/97/98/29/591979829.db2.gz JDPBUSIISYBRBA-UKTHLTGXSA-N 1 2 349.387 1.498 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2OCCO2)nc1-c1ccccn1 ZINC000902624016 592021323 /nfs/dbraw/zinc/02/13/23/592021323.db2.gz BPWNUYLQGOQMSS-ZDUSSCGKSA-N 1 2 345.359 1.648 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@H]2C2OCCO2)nc1-c1ccccn1 ZINC000902624016 592021325 /nfs/dbraw/zinc/02/13/25/592021325.db2.gz BPWNUYLQGOQMSS-ZDUSSCGKSA-N 1 2 345.359 1.648 20 5 EDBDLO CC[N@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000840072855 593115326 /nfs/dbraw/zinc/11/53/26/593115326.db2.gz FIIYLTLNQYFVAH-BBRMVZONSA-N 1 2 335.360 1.600 20 5 EDBDLO CC[N@@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000840072855 593115327 /nfs/dbraw/zinc/11/53/27/593115327.db2.gz FIIYLTLNQYFVAH-BBRMVZONSA-N 1 2 335.360 1.600 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1Br ZINC000808749687 593285531 /nfs/dbraw/zinc/28/55/31/593285531.db2.gz BEECIVCQSKMZOD-GWCFXTLKSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1Br ZINC000808749687 593285532 /nfs/dbraw/zinc/28/55/32/593285532.db2.gz BEECIVCQSKMZOD-GWCFXTLKSA-N 1 2 345.193 1.532 20 5 EDBDLO CC(C)OCCONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000812801440 593509683 /nfs/dbraw/zinc/50/96/83/593509683.db2.gz IDYHXSCJLZCWDA-UHFFFAOYSA-N 1 2 334.332 1.867 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820623976 593847540 /nfs/dbraw/zinc/84/75/40/593847540.db2.gz JBRLFCDHDGSATB-UHFFFAOYSA-N 1 2 344.774 1.963 20 5 EDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830162471 594347430 /nfs/dbraw/zinc/34/74/30/594347430.db2.gz KJQHFFKECITZGX-HYVNUMGLSA-N 1 2 347.415 1.925 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000831737272 594697723 /nfs/dbraw/zinc/69/77/23/594697723.db2.gz AKJBVTDWJLABMP-NSHDSACASA-N 1 2 336.373 1.831 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000831740714 594698165 /nfs/dbraw/zinc/69/81/65/594698165.db2.gz XFEYLSNMYGGIJN-LBPRGKRZSA-N 1 2 336.373 1.831 20 5 EDBDLO COC(=O)CCCONC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000832157055 594730818 /nfs/dbraw/zinc/73/08/18/594730818.db2.gz SFEJVKGMMOXBEN-UHFFFAOYSA-N 1 2 348.315 1.395 20 5 EDBDLO O=C(OC[C@H]1CCNC(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000836015784 594909586 /nfs/dbraw/zinc/90/95/86/594909586.db2.gz IYDBVXUCDKCSSD-NSHDSACASA-N 1 2 344.327 1.464 20 5 EDBDLO Cc1nn(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)cc1[N+](=O)[O-] ZINC000848494800 595396051 /nfs/dbraw/zinc/39/60/51/595396051.db2.gz SDTSWTONGBVUGD-UHFFFAOYSA-N 1 2 332.364 1.699 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](C)CO1 ZINC000855405922 595696774 /nfs/dbraw/zinc/69/67/74/595696774.db2.gz AVCZOFMOUKKXFT-GHMZBOCLSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](C)CO1 ZINC000855405922 595696776 /nfs/dbraw/zinc/69/67/76/595696776.db2.gz AVCZOFMOUKKXFT-GHMZBOCLSA-N 1 2 325.340 1.573 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000855413077 595702291 /nfs/dbraw/zinc/70/22/91/595702291.db2.gz ZTVQNZCAXYXOPO-NWDGAFQWSA-N 1 2 339.367 1.881 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000855413077 595702292 /nfs/dbraw/zinc/70/22/92/595702292.db2.gz ZTVQNZCAXYXOPO-NWDGAFQWSA-N 1 2 339.367 1.881 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](n3cncn3)C2)nc1-c1ccccn1 ZINC000853506695 595774244 /nfs/dbraw/zinc/77/42/44/595774244.db2.gz DKPXDMXQZQCDLN-LBPRGKRZSA-N 1 2 340.347 1.349 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](n3cncn3)C2)nc1-c1ccccn1 ZINC000853506695 595774247 /nfs/dbraw/zinc/77/42/47/595774247.db2.gz DKPXDMXQZQCDLN-LBPRGKRZSA-N 1 2 340.347 1.349 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852435312 596160411 /nfs/dbraw/zinc/16/04/11/596160411.db2.gz LWLYBYQRNPCQDA-LLVKDONJSA-N 1 2 334.332 1.060 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852435312 596160413 /nfs/dbraw/zinc/16/04/13/596160413.db2.gz LWLYBYQRNPCQDA-LLVKDONJSA-N 1 2 334.332 1.060 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852538414 596192954 /nfs/dbraw/zinc/19/29/54/596192954.db2.gz FSXOERUMMBUMSY-LKFCYVNXSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852538414 596192956 /nfs/dbraw/zinc/19/29/56/596192956.db2.gz FSXOERUMMBUMSY-LKFCYVNXSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872721010 597044761 /nfs/dbraw/zinc/04/47/61/597044761.db2.gz BBEKFCSXWHPBHG-QWRGUYRKSA-N 1 2 347.396 1.833 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872721010 597044766 /nfs/dbraw/zinc/04/47/66/597044766.db2.gz BBEKFCSXWHPBHG-QWRGUYRKSA-N 1 2 347.396 1.833 20 5 EDBDLO Cn1cc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c([N+](=O)[O-])n1 ZINC000877465061 597519942 /nfs/dbraw/zinc/51/99/42/597519942.db2.gz TVGCEGSSUIXOCU-UHFFFAOYSA-N 1 2 334.355 1.575 20 5 EDBDLO Cn1cc(C[N@H+]2CCCN(c3ncccc3F)CC2)c([N+](=O)[O-])n1 ZINC000877465061 597519943 /nfs/dbraw/zinc/51/99/43/597519943.db2.gz TVGCEGSSUIXOCU-UHFFFAOYSA-N 1 2 334.355 1.575 20 5 EDBDLO O=[N+]([O-])c1cccc(C[NH+]2[C@H](CO)CC[C@H]2CO)c1Br ZINC000878881586 597745048 /nfs/dbraw/zinc/74/50/48/597745048.db2.gz IMGKFKBVCAJWGL-QWRGUYRKSA-N 1 2 345.193 1.675 20 5 EDBDLO COC1CC[NH+](Cc2cn(Cc3ccc([N+](=O)[O-])c(F)c3)nn2)CC1 ZINC000881212266 598099346 /nfs/dbraw/zinc/09/93/46/598099346.db2.gz CRGJQFNXAFNXHC-UHFFFAOYSA-N 1 2 349.366 1.985 20 5 EDBDLO COCC[N@H+](C)Cc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881226911 598101492 /nfs/dbraw/zinc/10/14/92/598101492.db2.gz BIMVGGGMONZUTF-UHFFFAOYSA-N 1 2 339.783 1.966 20 5 EDBDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881226911 598101493 /nfs/dbraw/zinc/10/14/93/598101493.db2.gz BIMVGGGMONZUTF-UHFFFAOYSA-N 1 2 339.783 1.966 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ncccc1O ZINC001031627688 697365472 /nfs/dbraw/zinc/36/54/72/697365472.db2.gz SHDQONMLXFDUDP-UHFFFAOYSA-N 1 2 342.355 1.557 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C(C)(C)F)CC1 ZINC001002228793 708735659 /nfs/dbraw/zinc/73/56/59/708735659.db2.gz VFTSGGXTDFUGMO-UHFFFAOYSA-N 1 2 327.360 1.157 20 5 EDBDLO O=C(C[NH+]1CCC(CO)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052807557 214147799 /nfs/dbraw/zinc/14/77/99/214147799.db2.gz QPFAEQGDDSIZTG-UHFFFAOYSA-N 1 2 327.768 1.891 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055817023 214343455 /nfs/dbraw/zinc/34/34/55/214343455.db2.gz OKILXSHYXDRRAZ-UHFFFAOYSA-N 1 2 345.359 1.262 20 5 EDBDLO CN1CCN(c2cc3[nH]c(=O)oc3cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000366484548 282966903 /nfs/dbraw/zinc/96/69/03/282966903.db2.gz VILISSNNYVHMGD-GFCCVEGCSA-N 1 2 344.331 1.658 20 5 EDBDLO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000104598223 219397818 /nfs/dbraw/zinc/39/78/18/219397818.db2.gz XWOZFTGNUSTRBT-STQMWFEESA-N 1 2 336.392 1.232 20 5 EDBDLO CC(C)[N@H+]1CC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271212808 535239493 /nfs/dbraw/zinc/23/94/93/535239493.db2.gz BLNDXSJCMWJEBK-SECBINFHSA-N 1 2 333.435 1.954 20 5 EDBDLO CC(C)O[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564797477 306365228 /nfs/dbraw/zinc/36/52/28/306365228.db2.gz VJPFJMILGFSADZ-CQSZACIVSA-N 1 2 342.417 1.868 20 5 EDBDLO CC(C)O[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564797477 306365229 /nfs/dbraw/zinc/36/52/29/306365229.db2.gz VJPFJMILGFSADZ-CQSZACIVSA-N 1 2 342.417 1.868 20 5 EDBDLO NC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000022227687 212282238 /nfs/dbraw/zinc/28/22/38/212282238.db2.gz VGROGMZKBPDSON-UHFFFAOYSA-N 1 2 338.327 1.887 20 5 EDBDLO Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000080915296 217340139 /nfs/dbraw/zinc/34/01/39/217340139.db2.gz VHLPHGNNEYDYID-CQSZACIVSA-N 1 2 333.388 1.840 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CO)C1 ZINC000245412686 139072837 /nfs/dbraw/zinc/07/28/37/139072837.db2.gz AVJRDPKGRMBEQF-VHSXEESVSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CO)C1 ZINC000245412686 139072838 /nfs/dbraw/zinc/07/28/38/139072838.db2.gz AVJRDPKGRMBEQF-VHSXEESVSA-N 1 2 327.768 1.889 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000248953712 139181423 /nfs/dbraw/zinc/18/14/23/139181423.db2.gz AFHFNSPRWDJXQL-SWLSCSKDSA-N 1 2 349.387 1.689 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000248953712 139181424 /nfs/dbraw/zinc/18/14/24/139181424.db2.gz AFHFNSPRWDJXQL-SWLSCSKDSA-N 1 2 349.387 1.689 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000249555212 139195543 /nfs/dbraw/zinc/19/55/43/139195543.db2.gz JMSSVEQVMROQOT-TVQRCGJNSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000249555212 139195544 /nfs/dbraw/zinc/19/55/44/139195544.db2.gz JMSSVEQVMROQOT-TVQRCGJNSA-N 1 2 327.768 1.889 20 5 EDBDLO Cc1nc(C)n(C2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000424130912 252134543 /nfs/dbraw/zinc/13/45/43/252134543.db2.gz FSDLCTOXJROSMD-AWEZNQCLSA-N 1 2 347.375 1.100 20 5 EDBDLO CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448845490 254638031 /nfs/dbraw/zinc/63/80/31/254638031.db2.gz QECQHYNZDYGMFX-MRXNPFEDSA-N 1 2 346.343 1.852 20 5 EDBDLO O=C(Cn1nccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000119724658 221386865 /nfs/dbraw/zinc/38/68/65/221386865.db2.gz JEWFFGBSUSVPON-UHFFFAOYSA-N 1 2 345.359 1.262 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000264220126 139387771 /nfs/dbraw/zinc/38/77/71/139387771.db2.gz GZJNQBARMFTYKD-VHSXEESVSA-N 1 2 340.355 1.155 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000271324275 140278614 /nfs/dbraw/zinc/27/86/14/140278614.db2.gz KJHYDOCOIAUMAV-UHFFFAOYSA-N 1 2 345.359 1.506 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000271324275 140278615 /nfs/dbraw/zinc/27/86/15/140278615.db2.gz KJHYDOCOIAUMAV-UHFFFAOYSA-N 1 2 345.359 1.506 20 5 EDBDLO COCC[NH+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272385556 140447792 /nfs/dbraw/zinc/44/77/92/140447792.db2.gz SXAXXFVRHQGUOV-UHFFFAOYSA-N 1 2 343.330 1.477 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340419816 142385421 /nfs/dbraw/zinc/38/54/21/142385421.db2.gz XFZFSFVAQKWXIZ-HRCADAONSA-N 1 2 346.387 1.547 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346685066 143231535 /nfs/dbraw/zinc/23/15/35/143231535.db2.gz IHBKIPLJRRXULR-MQIPJXDCSA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346685066 143231536 /nfs/dbraw/zinc/23/15/36/143231536.db2.gz IHBKIPLJRRXULR-MQIPJXDCSA-N 1 2 346.387 1.428 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000346802581 143247155 /nfs/dbraw/zinc/24/71/55/143247155.db2.gz UAXYQCCFJJKTCB-GFCCVEGCSA-N 1 2 331.332 1.326 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000369723348 155150531 /nfs/dbraw/zinc/15/05/31/155150531.db2.gz PYURUDQQOAASBW-LBPRGKRZSA-N 1 2 347.379 1.114 20 5 EDBDLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680860 149115394 /nfs/dbraw/zinc/11/53/94/149115394.db2.gz VLXMIQKUHMUFBN-WFASDCNBSA-N 1 2 340.376 1.202 20 5 EDBDLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680860 149115397 /nfs/dbraw/zinc/11/53/97/149115397.db2.gz VLXMIQKUHMUFBN-WFASDCNBSA-N 1 2 340.376 1.202 20 5 EDBDLO COc1cc(C[N@H+](C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352799287 149170521 /nfs/dbraw/zinc/17/05/21/149170521.db2.gz MIGLLIVIMDLMGF-WDEREUQCSA-N 1 2 348.302 1.396 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352799287 149170525 /nfs/dbraw/zinc/17/05/25/149170525.db2.gz MIGLLIVIMDLMGF-WDEREUQCSA-N 1 2 348.302 1.396 20 5 EDBDLO Cc1cc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000352882123 149201402 /nfs/dbraw/zinc/20/14/02/149201402.db2.gz HDMLORPERLCNNM-UHFFFAOYSA-N 1 2 344.375 1.976 20 5 EDBDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C1 ZINC000370046854 155299898 /nfs/dbraw/zinc/29/98/98/155299898.db2.gz UJAPQLPRFOPVRP-CYBMUJFWSA-N 1 2 349.435 1.799 20 5 EDBDLO Cc1cc(C(=O)NCC(=O)N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000360526558 152080627 /nfs/dbraw/zinc/08/06/27/152080627.db2.gz HXHPSBLOEVUSBO-UHFFFAOYSA-N 1 2 331.332 1.015 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000364074137 153138179 /nfs/dbraw/zinc/13/81/79/153138179.db2.gz SOAWABCABGKMBV-OAHLLOKOSA-N 1 2 346.387 1.664 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000364791598 153334871 /nfs/dbraw/zinc/33/48/71/153334871.db2.gz QVVCHCBHJVTQAU-INIZCTEOSA-N 1 2 348.359 1.132 20 5 EDBDLO CN(C(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000364791598 153334873 /nfs/dbraw/zinc/33/48/73/153334873.db2.gz QVVCHCBHJVTQAU-INIZCTEOSA-N 1 2 348.359 1.132 20 5 EDBDLO O=C(NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364829932 153345953 /nfs/dbraw/zinc/34/59/53/153345953.db2.gz QBNBUUSHOZMSAW-DOMZBBRYSA-N 1 2 343.387 1.309 20 5 EDBDLO CCc1nn(C)c(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000367456661 154130659 /nfs/dbraw/zinc/13/06/59/154130659.db2.gz QMSDMERMLHXSLT-JSGCOSHPSA-N 1 2 337.424 1.438 20 5 EDBDLO COCCc1noc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000372329010 156336646 /nfs/dbraw/zinc/33/66/46/156336646.db2.gz FIRQLRBVGZIVKO-LLVKDONJSA-N 1 2 336.352 1.200 20 5 EDBDLO COCCc1noc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000372329010 156336650 /nfs/dbraw/zinc/33/66/50/156336650.db2.gz FIRQLRBVGZIVKO-LLVKDONJSA-N 1 2 336.352 1.200 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)n1 ZINC000374318049 157240660 /nfs/dbraw/zinc/24/06/60/157240660.db2.gz VZYIYKFTVMWEQX-GFCCVEGCSA-N 1 2 333.323 1.254 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374373135 157264549 /nfs/dbraw/zinc/26/45/49/157264549.db2.gz QZBNLOAGILNNIN-INIZCTEOSA-N 1 2 326.356 1.705 20 5 EDBDLO Cc1cnn(C2C[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000374615645 157345608 /nfs/dbraw/zinc/34/56/08/157345608.db2.gz VEUSMYUAIXSIJM-CQSZACIVSA-N 1 2 332.360 1.396 20 5 EDBDLO COc1cc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418193 162171462 /nfs/dbraw/zinc/17/14/62/162171462.db2.gz ZYZHLVBZJGJWGU-QWRGUYRKSA-N 1 2 330.406 1.857 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418193 162171465 /nfs/dbraw/zinc/17/14/65/162171465.db2.gz ZYZHLVBZJGJWGU-QWRGUYRKSA-N 1 2 330.406 1.857 20 5 EDBDLO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1c(F)cccc1F ZINC000159622365 225250223 /nfs/dbraw/zinc/25/02/23/225250223.db2.gz FKQXXXMOSVAOLK-SNVBAGLBSA-N 1 2 339.302 1.629 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000122166910 287377842 /nfs/dbraw/zinc/37/78/42/287377842.db2.gz HFBPXXAULQLDDL-ZDUSSCGKSA-N 1 2 348.403 1.383 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000030295997 267383277 /nfs/dbraw/zinc/38/32/77/267383277.db2.gz GZGUNLBEJIZOGB-UHFFFAOYSA-N 1 2 330.348 1.103 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(N)=O)CC1 ZINC000174910010 267547778 /nfs/dbraw/zinc/54/77/78/267547778.db2.gz VHIFSFJVBJHMHB-SNVBAGLBSA-N 1 2 335.364 1.055 20 5 EDBDLO COc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c([N+](=O)[O-])cc1OC ZINC000274895180 268231844 /nfs/dbraw/zinc/23/18/44/268231844.db2.gz FNXVCZMMWRRIEK-UHFFFAOYSA-N 1 2 346.343 1.254 20 5 EDBDLO COc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c([N+](=O)[O-])cc1OC ZINC000274895180 268231846 /nfs/dbraw/zinc/23/18/46/268231846.db2.gz FNXVCZMMWRRIEK-UHFFFAOYSA-N 1 2 346.343 1.254 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273639252 273047879 /nfs/dbraw/zinc/04/78/79/273047879.db2.gz RRVLMJOOBVARLQ-UHFFFAOYSA-N 1 2 331.380 1.057 20 5 EDBDLO Cc1ccc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000276497484 273166829 /nfs/dbraw/zinc/16/68/29/273166829.db2.gz BPDDMGLXZPZIBI-OAHLLOKOSA-N 1 2 343.387 1.766 20 5 EDBDLO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCSCC1 ZINC000278261566 273258212 /nfs/dbraw/zinc/25/82/12/273258212.db2.gz YGIXYFPWLJANMS-JTQLQIEISA-N 1 2 349.416 1.525 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000284040931 274057721 /nfs/dbraw/zinc/05/77/21/274057721.db2.gz KJIVBBPBHXAGRH-DZGCQCFKSA-N 1 2 345.355 1.886 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000284040931 274057723 /nfs/dbraw/zinc/05/77/23/274057723.db2.gz KJIVBBPBHXAGRH-DZGCQCFKSA-N 1 2 345.355 1.886 20 5 EDBDLO COc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000284152871 274098255 /nfs/dbraw/zinc/09/82/55/274098255.db2.gz QMAKRHPXFAQBMF-HUUCEWRRSA-N 1 2 349.387 1.457 20 5 EDBDLO COc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000284152871 274098257 /nfs/dbraw/zinc/09/82/57/274098257.db2.gz QMAKRHPXFAQBMF-HUUCEWRRSA-N 1 2 349.387 1.457 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000284881542 274370914 /nfs/dbraw/zinc/37/09/14/274370914.db2.gz FULZRGKCCHLHSS-QPJJXVBHSA-N 1 2 341.371 1.789 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286081830 287930810 /nfs/dbraw/zinc/93/08/10/287930810.db2.gz AHQSTBGKMASJNL-HIFRSBDPSA-N 1 2 333.388 1.838 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000286476847 288015283 /nfs/dbraw/zinc/01/52/83/288015283.db2.gz OBZKEEVJCVSGOK-RYUDHWBXSA-N 1 2 346.330 1.691 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000286476847 288015284 /nfs/dbraw/zinc/01/52/84/288015284.db2.gz OBZKEEVJCVSGOK-RYUDHWBXSA-N 1 2 346.330 1.691 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000291448301 289069060 /nfs/dbraw/zinc/06/90/60/289069060.db2.gz ZTPRRICBUHLYAI-UHFFFAOYSA-N 1 2 345.359 1.488 20 5 EDBDLO CS(=O)(=O)c1cccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000301873897 303700912 /nfs/dbraw/zinc/70/09/12/303700912.db2.gz HZZYSJMSWLGUNU-GFCCVEGCSA-N 1 2 337.401 1.449 20 5 EDBDLO COc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301886466 303701630 /nfs/dbraw/zinc/70/16/30/303701630.db2.gz PBWWFGIRQPEYRY-UHFFFAOYSA-N 1 2 349.366 1.798 20 5 EDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000351594009 303813397 /nfs/dbraw/zinc/81/33/97/303813397.db2.gz AKOLNESAGWHZQQ-SNVBAGLBSA-N 1 2 347.306 1.000 20 5 EDBDLO COC(=O)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448696867 447344344 /nfs/dbraw/zinc/34/43/44/447344344.db2.gz BFGXGKFFRTZJMM-UHFFFAOYSA-N 1 2 346.343 1.806 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000428059035 305006207 /nfs/dbraw/zinc/00/62/07/305006207.db2.gz HLYSPDCUTFJFRJ-NSHDSACASA-N 1 2 339.396 1.111 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000428059035 305006208 /nfs/dbraw/zinc/00/62/08/305006208.db2.gz HLYSPDCUTFJFRJ-NSHDSACASA-N 1 2 339.396 1.111 20 5 EDBDLO CCOc1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000449649473 305315751 /nfs/dbraw/zinc/31/57/51/305315751.db2.gz ISMSERSBASWDJB-LLVKDONJSA-N 1 2 343.330 1.968 20 5 EDBDLO CC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450121962 305325274 /nfs/dbraw/zinc/32/52/74/305325274.db2.gz LUESFYKGGYAIFF-ZDUSSCGKSA-N 1 2 343.343 1.131 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451424235 305345302 /nfs/dbraw/zinc/34/53/02/305345302.db2.gz FXCVANLTULUNEM-LKFCYVNXSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451424235 305345303 /nfs/dbraw/zinc/34/53/03/305345303.db2.gz FXCVANLTULUNEM-LKFCYVNXSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451424241 305345457 /nfs/dbraw/zinc/34/54/57/305345457.db2.gz FXCVANLTULUNEM-XPTSAGLGSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451424241 305345458 /nfs/dbraw/zinc/34/54/58/305345458.db2.gz FXCVANLTULUNEM-XPTSAGLGSA-N 1 2 329.303 1.624 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@](O)(C(F)F)C3)n2)cc1 ZINC000451438227 305346302 /nfs/dbraw/zinc/34/63/02/305346302.db2.gz ULMYKZGEKLSODS-CQSZACIVSA-N 1 2 340.286 1.847 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@](O)(C(F)F)C3)n2)cc1 ZINC000451438227 305346303 /nfs/dbraw/zinc/34/63/03/305346303.db2.gz ULMYKZGEKLSODS-CQSZACIVSA-N 1 2 340.286 1.847 20 5 EDBDLO C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451470423 305348439 /nfs/dbraw/zinc/34/84/39/305348439.db2.gz ZBTGZKXKGQOCAE-DGCLKSJQSA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451470422 305348444 /nfs/dbraw/zinc/34/84/44/305348444.db2.gz ZBTGZKXKGQOCAE-AAEUAGOBSA-N 1 2 330.344 1.623 20 5 EDBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000452012332 305378140 /nfs/dbraw/zinc/37/81/40/305378140.db2.gz LXORZQBTJUTCLT-LLVKDONJSA-N 1 2 346.391 1.707 20 5 EDBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000452012332 305378141 /nfs/dbraw/zinc/37/81/41/305378141.db2.gz LXORZQBTJUTCLT-LLVKDONJSA-N 1 2 346.391 1.707 20 5 EDBDLO Cc1cc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C)c[nH+]1 ZINC000535748678 306016474 /nfs/dbraw/zinc/01/64/74/306016474.db2.gz WXOKIESYUDHCIA-UHFFFAOYSA-N 1 2 338.327 1.862 20 5 EDBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCOCC1 ZINC000539808914 306037016 /nfs/dbraw/zinc/03/70/16/306037016.db2.gz TXTPMIKEEHISSD-UHFFFAOYSA-N 1 2 338.360 1.757 20 5 EDBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCOCC1 ZINC000539808914 306037017 /nfs/dbraw/zinc/03/70/17/306037017.db2.gz TXTPMIKEEHISSD-UHFFFAOYSA-N 1 2 338.360 1.757 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000542610592 306055171 /nfs/dbraw/zinc/05/51/71/306055171.db2.gz FEFFLVLRBJAHTJ-BDAKNGLRSA-N 1 2 349.347 1.973 20 5 EDBDLO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556935472 306221440 /nfs/dbraw/zinc/22/14/40/306221440.db2.gz FXQKEYYOBBKGBL-XFBWCDHKSA-N 1 2 349.387 1.624 20 5 EDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000043804563 440800618 /nfs/dbraw/zinc/80/06/18/440800618.db2.gz PWRQAFZNZJNILA-UHFFFAOYSA-N 1 2 345.355 1.911 20 5 EDBDLO COc1ccccc1[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1[nH+]ccn1C ZINC000044380865 440841572 /nfs/dbraw/zinc/84/15/72/440841572.db2.gz QDNHRRBJYHKPGN-DYEKYZERSA-N 1 2 330.344 1.300 20 5 EDBDLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012810008 441144209 /nfs/dbraw/zinc/14/42/09/441144209.db2.gz ODHPYHCMEQNYLP-QGZVFWFLSA-N 1 2 340.383 1.943 20 5 EDBDLO C[N@H+](Cc1cnccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000080966809 441213936 /nfs/dbraw/zinc/21/39/36/441213936.db2.gz NHKRTQZSOMMHJB-OAHLLOKOSA-N 1 2 327.344 1.622 20 5 EDBDLO C[N@@H+](Cc1cnccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000080966809 441213938 /nfs/dbraw/zinc/21/39/38/441213938.db2.gz NHKRTQZSOMMHJB-OAHLLOKOSA-N 1 2 327.344 1.622 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000106032705 441324158 /nfs/dbraw/zinc/32/41/58/441324158.db2.gz FBFUURIVUXCJDH-UHFFFAOYSA-N 1 2 343.387 1.215 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000026933414 441390545 /nfs/dbraw/zinc/39/05/45/441390545.db2.gz VOLUKGHWJBKHKO-UHFFFAOYSA-N 1 2 335.360 1.681 20 5 EDBDLO COC(=O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000025557720 441349833 /nfs/dbraw/zinc/34/98/33/441349833.db2.gz VAKQTWDAMHBRRW-UHFFFAOYSA-N 1 2 347.371 1.369 20 5 EDBDLO CCS(=O)(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052111937 441434843 /nfs/dbraw/zinc/43/48/43/441434843.db2.gz CWDSBGFXXQTHQX-UHFFFAOYSA-N 1 2 327.406 1.105 20 5 EDBDLO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1 ZINC000028940642 441442347 /nfs/dbraw/zinc/44/23/47/441442347.db2.gz FMSXIZBRQNRTNE-VXGBXAGGSA-N 1 2 337.376 1.530 20 5 EDBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000065152708 441404578 /nfs/dbraw/zinc/40/45/78/441404578.db2.gz QVGRPLMNHBIXAF-UHFFFAOYSA-N 1 2 326.316 1.831 20 5 EDBDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000052848587 441479714 /nfs/dbraw/zinc/47/97/14/441479714.db2.gz DKQBWFZPIPVWGG-UHFFFAOYSA-N 1 2 334.376 1.381 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCN1CCOCC1 ZINC000114464191 441660215 /nfs/dbraw/zinc/66/02/15/441660215.db2.gz VEHJCULYQIGSOJ-UHFFFAOYSA-N 1 2 336.392 1.106 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCN1CCOCC1 ZINC000114464191 441660218 /nfs/dbraw/zinc/66/02/18/441660218.db2.gz VEHJCULYQIGSOJ-UHFFFAOYSA-N 1 2 336.392 1.106 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[NH+]1CCOCC1 ZINC000114464191 441660222 /nfs/dbraw/zinc/66/02/22/441660222.db2.gz VEHJCULYQIGSOJ-UHFFFAOYSA-N 1 2 336.392 1.106 20 5 EDBDLO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000119112939 441917483 /nfs/dbraw/zinc/91/74/83/441917483.db2.gz RULFRRUARXNFJY-CABZTGNLSA-N 1 2 327.768 1.697 20 5 EDBDLO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000119112939 441917484 /nfs/dbraw/zinc/91/74/84/441917484.db2.gz RULFRRUARXNFJY-CABZTGNLSA-N 1 2 327.768 1.697 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000174635858 441947047 /nfs/dbraw/zinc/94/70/47/441947047.db2.gz FJNUUKLZJIWEMD-NSHDSACASA-N 1 2 345.359 1.852 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000174635858 441947051 /nfs/dbraw/zinc/94/70/51/441947051.db2.gz FJNUUKLZJIWEMD-NSHDSACASA-N 1 2 345.359 1.852 20 5 EDBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C(N)=O)CCCC1 ZINC000120111635 442010311 /nfs/dbraw/zinc/01/03/11/442010311.db2.gz TWHSVZFJJTUFPK-UHFFFAOYSA-N 1 2 346.387 1.214 20 5 EDBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C(N)=O)CCCC1 ZINC000120111635 442010314 /nfs/dbraw/zinc/01/03/14/442010314.db2.gz TWHSVZFJJTUFPK-UHFFFAOYSA-N 1 2 346.387 1.214 20 5 EDBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126423285 442110086 /nfs/dbraw/zinc/11/00/86/442110086.db2.gz MIVDFNQYJZDLLB-RULNZOCKSA-N 1 2 339.417 1.183 20 5 EDBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000126423285 442110090 /nfs/dbraw/zinc/11/00/90/442110090.db2.gz MIVDFNQYJZDLLB-RULNZOCKSA-N 1 2 339.417 1.183 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000175663235 442101821 /nfs/dbraw/zinc/10/18/21/442101821.db2.gz 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O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)nc1 ZINC000180431713 442601836 /nfs/dbraw/zinc/60/18/36/442601836.db2.gz GQEQRBRUIZVQAS-NSHDSACASA-N 1 2 329.364 1.672 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000183245194 442909775 /nfs/dbraw/zinc/90/97/75/442909775.db2.gz JFFXOXSHDFGLOP-UHFFFAOYSA-N 1 2 348.403 1.072 20 5 EDBDLO O=C1[C@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248992873 442942626 /nfs/dbraw/zinc/94/26/26/442942626.db2.gz LLCYGEQGVODZCI-WBVHZDCISA-N 1 2 347.371 1.191 20 5 EDBDLO O=C1[C@H]([N@H+]2CCO[C@@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248992873 442942629 /nfs/dbraw/zinc/94/26/29/442942629.db2.gz LLCYGEQGVODZCI-WBVHZDCISA-N 1 2 347.371 1.191 20 5 EDBDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000195178448 442993470 /nfs/dbraw/zinc/99/34/70/442993470.db2.gz KTKWTNROMZLGEY-TXEJJXNPSA-N 1 2 337.380 1.548 20 5 EDBDLO 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ZINC000191029187 443228425 /nfs/dbraw/zinc/22/84/25/443228425.db2.gz BHAZJCXJOKLDLW-MRVPVSSYSA-N 1 2 330.270 1.994 20 5 EDBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000411070842 319164499 /nfs/dbraw/zinc/16/44/99/319164499.db2.gz HTRRTMHUXYLDSY-UHFFFAOYSA-N 1 2 334.420 1.741 20 5 EDBDLO Cc1cc(N2CC[C@@H](O)[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413597236 319282662 /nfs/dbraw/zinc/28/26/62/319282662.db2.gz WSMQCXYPUGWQNQ-UKRRQHHQSA-N 1 2 344.371 1.540 20 5 EDBDLO CCc1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000414456029 319327078 /nfs/dbraw/zinc/32/70/78/319327078.db2.gz GLAYEHXFFYQFBS-UHFFFAOYSA-N 1 2 328.376 1.664 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1OC(F)F ZINC000269396875 443303088 /nfs/dbraw/zinc/30/30/88/443303088.db2.gz WJLGVOVCPFQJFH-NSHDSACASA-N 1 2 347.318 1.301 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]CC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272507687 443344808 /nfs/dbraw/zinc/34/48/08/443344808.db2.gz IIMDIHYRQCGCFJ-AWEZNQCLSA-N 1 2 332.360 1.770 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266948902 443299696 /nfs/dbraw/zinc/29/96/96/443299696.db2.gz SSGREJZIJBHTNT-LLVKDONJSA-N 1 2 333.797 1.372 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266948902 443299700 /nfs/dbraw/zinc/29/97/00/443299700.db2.gz SSGREJZIJBHTNT-LLVKDONJSA-N 1 2 333.797 1.372 20 5 EDBDLO CO[C@@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279219091 443539616 /nfs/dbraw/zinc/53/96/16/443539616.db2.gz CRIPSBLPYFRVMM-HNNXBMFYSA-N 1 2 342.417 1.869 20 5 EDBDLO CO[C@@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279219091 443539619 /nfs/dbraw/zinc/53/96/19/443539619.db2.gz CRIPSBLPYFRVMM-HNNXBMFYSA-N 1 2 342.417 1.869 20 5 EDBDLO CCc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000279384291 443571446 /nfs/dbraw/zinc/57/14/46/443571446.db2.gz URKJXXPDYYFVHD-CYBMUJFWSA-N 1 2 335.404 1.950 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNc2ncc([N+](=O)[O-])cn2)nc[nH+]1 ZINC000273137655 443547797 /nfs/dbraw/zinc/54/77/97/443547797.db2.gz DDIXRAPMPLSOBL-SNVBAGLBSA-N 1 2 330.352 1.297 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNc2ncc([N+](=O)[O-])cn2)[nH+]cn1 ZINC000273137655 443547801 /nfs/dbraw/zinc/54/78/01/443547801.db2.gz DDIXRAPMPLSOBL-SNVBAGLBSA-N 1 2 330.352 1.297 20 5 EDBDLO CCc1n[nH]c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279292188 443551651 /nfs/dbraw/zinc/55/16/51/443551651.db2.gz LQVWZDVKIUDOOX-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1n[nH]c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279292188 443551655 /nfs/dbraw/zinc/55/16/55/443551655.db2.gz LQVWZDVKIUDOOX-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1[nH]nc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279292188 443551661 /nfs/dbraw/zinc/55/16/61/443551661.db2.gz LQVWZDVKIUDOOX-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO CCc1[nH]nc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279292188 443551667 /nfs/dbraw/zinc/55/16/67/443551667.db2.gz LQVWZDVKIUDOOX-UHFFFAOYSA-N 1 2 339.396 1.063 20 5 EDBDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000440120020 320063614 /nfs/dbraw/zinc/06/36/14/320063614.db2.gz ROSDMUBJHHDAQR-LBPRGKRZSA-N 1 2 330.344 1.679 20 5 EDBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(N)=O ZINC000448722553 320154623 /nfs/dbraw/zinc/15/46/23/320154623.db2.gz CYDAGGDYKSCXTA-UHFFFAOYSA-N 1 2 331.332 1.022 20 5 EDBDLO CCN1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000449521759 320193976 /nfs/dbraw/zinc/19/39/76/320193976.db2.gz VKNBDKGKGCQYPD-BBRMVZONSA-N 1 2 343.387 1.628 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451659732 320236456 /nfs/dbraw/zinc/23/64/56/320236456.db2.gz PCSUKBMIDOJKLP-CQSZACIVSA-N 1 2 342.417 1.873 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451659732 320236458 /nfs/dbraw/zinc/23/64/58/320236458.db2.gz PCSUKBMIDOJKLP-CQSZACIVSA-N 1 2 342.417 1.873 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493599623 320395765 /nfs/dbraw/zinc/39/57/65/320395765.db2.gz UGZGFSRHIJJYDL-LGZALOBFSA-N 1 2 331.372 1.540 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493599623 320395766 /nfs/dbraw/zinc/39/57/66/320395766.db2.gz UGZGFSRHIJJYDL-LGZALOBFSA-N 1 2 331.372 1.540 20 5 EDBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000276494123 443724600 /nfs/dbraw/zinc/72/46/00/443724600.db2.gz WHQPYGXKZJRSKU-HNNXBMFYSA-N 1 2 335.360 1.773 20 5 EDBDLO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288524821 443907760 /nfs/dbraw/zinc/90/77/60/443907760.db2.gz NWBDCKNHUSESBE-LLVKDONJSA-N 1 2 347.375 1.048 20 5 EDBDLO COC(=O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000299140912 443965169 /nfs/dbraw/zinc/96/51/69/443965169.db2.gz SHXLPOTXEGFLIS-ZDUSSCGKSA-N 1 2 326.349 1.218 20 5 EDBDLO COC(=O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000299140912 443965175 /nfs/dbraw/zinc/96/51/75/443965175.db2.gz SHXLPOTXEGFLIS-ZDUSSCGKSA-N 1 2 326.349 1.218 20 5 EDBDLO COC[C@](C)(O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552058030 320922793 /nfs/dbraw/zinc/92/27/93/320922793.db2.gz RYIGZYZLJNGMOX-GOEBONIOSA-N 1 2 334.376 1.405 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278100246 444095796 /nfs/dbraw/zinc/09/57/96/444095796.db2.gz ZHUNTBVKIQISML-UHFFFAOYSA-N 1 2 341.795 1.961 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299649017 444104993 /nfs/dbraw/zinc/10/49/93/444104993.db2.gz WWKPSDZJNQRKEP-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299649017 444104997 /nfs/dbraw/zinc/10/49/97/444104997.db2.gz WWKPSDZJNQRKEP-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c[nH+]1 ZINC000301556969 444179581 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CWJAXBNNBXKVLQ-DGCLKSJQSA-N 1 2 326.784 1.679 20 5 EDBDLO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000598539998 449453868 /nfs/dbraw/zinc/45/38/68/449453868.db2.gz KXMGCNKCEFEZTP-ZDUSSCGKSA-N 1 2 337.376 1.483 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]2COC[C@@H]2C1 ZINC000596528145 449542245 /nfs/dbraw/zinc/54/22/45/449542245.db2.gz LYZZOWJRZFNYER-HOTGVXAUSA-N 1 2 347.415 1.900 20 5 EDBDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602300035 449500091 /nfs/dbraw/zinc/50/00/91/449500091.db2.gz JJCDECZFYUUNSK-INIZCTEOSA-N 1 2 333.388 1.807 20 5 EDBDLO CC[N@H+]1CCOC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602300035 449500097 /nfs/dbraw/zinc/50/00/97/449500097.db2.gz JJCDECZFYUUNSK-INIZCTEOSA-N 1 2 333.388 1.807 20 5 EDBDLO Cn1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c([N+](=O)[O-])n1 ZINC000602438891 449587616 /nfs/dbraw/zinc/58/76/16/449587616.db2.gz CBMZNFMDAZNGFW-UHFFFAOYSA-N 1 2 336.783 1.699 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614419922 449601706 /nfs/dbraw/zinc/60/17/06/449601706.db2.gz CSXWHZIUEISUHZ-GFCCVEGCSA-N 1 2 330.348 1.380 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000614419922 449601710 /nfs/dbraw/zinc/60/17/10/449601710.db2.gz CSXWHZIUEISUHZ-GFCCVEGCSA-N 1 2 330.348 1.380 20 5 EDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598948066 449665668 /nfs/dbraw/zinc/66/56/68/449665668.db2.gz OSFOWPNRNOZWEZ-VIFPVBQESA-N 1 2 330.300 1.265 20 5 EDBDLO C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598906752 449642554 /nfs/dbraw/zinc/64/25/54/449642554.db2.gz MNPPZQFHPHVBQD-JTQLQIEISA-N 1 2 346.347 1.327 20 5 EDBDLO Cn1cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c([N+](=O)[O-])n1 ZINC000602624212 449713740 /nfs/dbraw/zinc/71/37/40/449713740.db2.gz SGKHUNLJULIDCG-UHFFFAOYSA-N 1 2 331.380 1.251 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000599161375 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CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599694813 450158731 /nfs/dbraw/zinc/15/87/31/450158731.db2.gz WAKVOYOFVFXPMC-NSHDSACASA-N 1 2 345.396 1.495 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599694813 450158736 /nfs/dbraw/zinc/15/87/36/450158736.db2.gz WAKVOYOFVFXPMC-NSHDSACASA-N 1 2 345.396 1.495 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000601733266 450197778 /nfs/dbraw/zinc/19/77/78/450197778.db2.gz AJSCTOSDPJAATC-LLVKDONJSA-N 1 2 339.417 1.719 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000601733266 450197783 /nfs/dbraw/zinc/19/77/83/450197783.db2.gz AJSCTOSDPJAATC-LLVKDONJSA-N 1 2 339.417 1.719 20 5 EDBDLO O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598302969 490995811 /nfs/dbraw/zinc/99/58/11/490995811.db2.gz GGBXBTKYAAZPTI-HUUCEWRRSA-N 1 2 342.355 1.814 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132253715 529150276 /nfs/dbraw/zinc/15/02/76/529150276.db2.gz QCUONMWRBJTBGP-UHFFFAOYSA-N 1 2 331.369 1.369 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000332230727 535022641 /nfs/dbraw/zinc/02/26/41/535022641.db2.gz OJMTWXNJHAXEHF-WBVHZDCISA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000332230727 535022648 /nfs/dbraw/zinc/02/26/48/535022648.db2.gz OJMTWXNJHAXEHF-WBVHZDCISA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000332230727 535022653 /nfs/dbraw/zinc/02/26/53/535022653.db2.gz OJMTWXNJHAXEHF-WBVHZDCISA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000332230727 535022659 /nfs/dbraw/zinc/02/26/59/535022659.db2.gz OJMTWXNJHAXEHF-WBVHZDCISA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)[N@@H+]1CC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271212808 535239489 /nfs/dbraw/zinc/23/94/89/535239489.db2.gz BLNDXSJCMWJEBK-SECBINFHSA-N 1 2 333.435 1.954 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000195336400 536144740 /nfs/dbraw/zinc/14/47/40/536144740.db2.gz NXMWMPJRTZRGPU-UHFFFAOYSA-N 1 2 330.392 1.837 20 5 EDBDLO COCC[N@@H+]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000345157973 536878556 /nfs/dbraw/zinc/87/85/56/536878556.db2.gz CUUIUJQDVOZHGV-NSHDSACASA-N 1 2 343.405 1.131 20 5 EDBDLO COCC[N@H+]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000345157973 536878561 /nfs/dbraw/zinc/87/85/61/536878561.db2.gz CUUIUJQDVOZHGV-NSHDSACASA-N 1 2 343.405 1.131 20 5 EDBDLO Cc1c(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000741141549 579398377 /nfs/dbraw/zinc/39/83/77/579398377.db2.gz BTZUNNOVYDNPSP-QHCPKHFHSA-N 1 2 339.417 1.040 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729630370 578585860 /nfs/dbraw/zinc/58/58/60/578585860.db2.gz HPOVKDHHTWRYPF-UHFFFAOYSA-N 1 2 349.416 1.463 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000729931266 578603060 /nfs/dbraw/zinc/60/30/60/578603060.db2.gz OKIHDONQQUEYKD-UHFFFAOYSA-N 1 2 333.367 1.785 20 5 EDBDLO O=Cc1ccc(OCC(=O)N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000733958151 578791345 /nfs/dbraw/zinc/79/13/45/578791345.db2.gz VHVDAGLNYNUVCY-UHFFFAOYSA-N 1 2 330.300 1.025 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081396 579536879 /nfs/dbraw/zinc/53/68/79/579536879.db2.gz YAVFWAIMJISARE-CYBMUJFWSA-N 1 2 335.360 1.869 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081396 579536881 /nfs/dbraw/zinc/53/68/81/579536881.db2.gz YAVFWAIMJISARE-CYBMUJFWSA-N 1 2 335.360 1.869 20 5 EDBDLO Cc1ccc2[nH+]c(COC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cn2c1 ZINC000748910361 579706349 /nfs/dbraw/zinc/70/63/49/579706349.db2.gz GSDJKHVSSULYIM-UHFFFAOYSA-N 1 2 342.311 1.456 20 5 EDBDLO O=C1CN([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000758971275 579995498 /nfs/dbraw/zinc/99/54/98/579995498.db2.gz HBBUUDZLELWKCK-LBPRGKRZSA-N 1 2 342.359 1.282 20 5 EDBDLO O=C1CN([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000758971275 579995499 /nfs/dbraw/zinc/99/54/99/579995499.db2.gz HBBUUDZLELWKCK-LBPRGKRZSA-N 1 2 342.359 1.282 20 5 EDBDLO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1F ZINC000766041026 580157274 /nfs/dbraw/zinc/15/72/74/580157274.db2.gz ZDQHVSNIZPQJOM-UHFFFAOYSA-N 1 2 348.352 1.165 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000772030989 580301254 /nfs/dbraw/zinc/30/12/54/580301254.db2.gz RTCBGYHGKXQZCY-UHFFFAOYSA-N 1 2 337.357 1.733 20 5 EDBDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776604301 580423959 /nfs/dbraw/zinc/42/39/59/580423959.db2.gz BAULVDXNBLHHDW-INIZCTEOSA-N 1 2 347.415 1.961 20 5 EDBDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776604301 580423960 /nfs/dbraw/zinc/42/39/60/580423960.db2.gz BAULVDXNBLHHDW-INIZCTEOSA-N 1 2 347.415 1.961 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213203 580481194 /nfs/dbraw/zinc/48/11/94/580481194.db2.gz DZBJPKSFYYQRQO-NSHDSACASA-N 1 2 329.360 1.602 20 5 EDBDLO Cc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000779214899 580481263 /nfs/dbraw/zinc/48/12/63/580481263.db2.gz VXIODZXTYMZXPV-JTQLQIEISA-N 1 2 345.315 1.753 20 5 EDBDLO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000779665030 580494078 /nfs/dbraw/zinc/49/40/78/580494078.db2.gz PBWSSTVWFFFVPM-CQSZACIVSA-N 1 2 349.387 1.674 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782004978 580563749 /nfs/dbraw/zinc/56/37/49/580563749.db2.gz TVTXUZOFCCYTGW-NSHDSACASA-N 1 2 348.359 1.496 20 5 EDBDLO COc1ccc(OCCO[NH+]=C(N)COC(C)C)c([N+](=O)[O-])c1 ZINC000782321818 580571865 /nfs/dbraw/zinc/57/18/65/580571865.db2.gz QQMWQFNZUXEVJG-UHFFFAOYSA-N 1 2 327.337 1.906 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782632706 580581319 /nfs/dbraw/zinc/58/13/19/580581319.db2.gz LQXFIZVIZIFGAW-FCHSOHFDSA-N 1 2 339.779 1.889 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782632706 580581320 /nfs/dbraw/zinc/58/13/20/580581320.db2.gz LQXFIZVIZIFGAW-FCHSOHFDSA-N 1 2 339.779 1.889 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000784914244 580631641 /nfs/dbraw/zinc/63/16/41/580631641.db2.gz MGQZXXBZFWSBMA-NSHDSACASA-N 1 2 333.344 1.954 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000786696968 580677252 /nfs/dbraw/zinc/67/72/52/580677252.db2.gz QKBVZEZHMVUDIQ-CYBMUJFWSA-N 1 2 334.376 1.114 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000790270997 580765555 /nfs/dbraw/zinc/76/55/55/580765555.db2.gz XNXHKWISBPTBTI-LBPRGKRZSA-N 1 2 336.392 1.423 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000790270997 580765556 /nfs/dbraw/zinc/76/55/56/580765556.db2.gz XNXHKWISBPTBTI-LBPRGKRZSA-N 1 2 336.392 1.423 20 5 EDBDLO COc1c(O)ccc(CN(C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000891905633 590680838 /nfs/dbraw/zinc/68/08/38/590680838.db2.gz CHYKEYSBGZYGRE-UHFFFAOYSA-N 1 2 325.365 1.073 20 5 EDBDLO CC(=O)N1CC[NH+](CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895723849 591260986 /nfs/dbraw/zinc/26/09/86/591260986.db2.gz MVEVECSITUHMSQ-UHFFFAOYSA-N 1 2 348.403 1.106 20 5 EDBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896536070 591500918 /nfs/dbraw/zinc/50/09/18/591500918.db2.gz UXVFHBKPZHQWDZ-SJWGOKEGSA-N 1 2 346.431 1.449 20 5 EDBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896536070 591500921 /nfs/dbraw/zinc/50/09/21/591500921.db2.gz UXVFHBKPZHQWDZ-SJWGOKEGSA-N 1 2 346.431 1.449 20 5 EDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902940687 592088063 /nfs/dbraw/zinc/08/80/63/592088063.db2.gz WQRGMQBXKZPPJA-LLVKDONJSA-N 1 2 340.355 1.966 20 5 EDBDLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000733982910 592955895 /nfs/dbraw/zinc/95/58/95/592955895.db2.gz IVLBMXUQPJJPFF-UHFFFAOYSA-N 1 2 331.288 1.705 20 5 EDBDLO O=C(OCC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101250 593124642 /nfs/dbraw/zinc/12/46/42/593124642.db2.gz IXAMNZPHLGJANT-LLVKDONJSA-N 1 2 345.311 1.891 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@](O)(C(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840119862 593203156 /nfs/dbraw/zinc/20/31/56/593203156.db2.gz UULPIYWEKGBTDW-CQSZACIVSA-N 1 2 326.303 1.912 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@](O)(C(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840119862 593203158 /nfs/dbraw/zinc/20/31/58/593203158.db2.gz UULPIYWEKGBTDW-CQSZACIVSA-N 1 2 326.303 1.912 20 5 EDBDLO C[C@H]1NC(=O)N(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000838871318 593227920 /nfs/dbraw/zinc/22/79/20/593227920.db2.gz MWPZIJHSMRVZKM-SECBINFHSA-N 1 2 340.767 1.620 20 5 EDBDLO C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000838871318 593227921 /nfs/dbraw/zinc/22/79/21/593227921.db2.gz MWPZIJHSMRVZKM-SECBINFHSA-N 1 2 340.767 1.620 20 5 EDBDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000839661076 593359703 /nfs/dbraw/zinc/35/97/03/593359703.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 1 2 332.320 1.919 20 5 EDBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000839661076 593359704 /nfs/dbraw/zinc/35/97/04/593359704.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 1 2 332.320 1.919 20 5 EDBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000839661076 593359705 /nfs/dbraw/zinc/35/97/05/593359705.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 1 2 332.320 1.919 20 5 EDBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000839661076 593359706 /nfs/dbraw/zinc/35/97/06/593359706.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 1 2 332.320 1.919 20 5 EDBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000839661076 593359707 /nfs/dbraw/zinc/35/97/07/593359707.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 1 2 332.320 1.919 20 5 EDBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000839661076 593359708 /nfs/dbraw/zinc/35/97/08/593359708.db2.gz JRKKEAYLLLHQFZ-NSHDSACASA-N 1 2 332.320 1.919 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=S)NCC[NH+]1CCOCC1 ZINC000811715802 593476791 /nfs/dbraw/zinc/47/67/91/593476791.db2.gz BYFQOEQXSBYKHL-UHFFFAOYSA-N 1 2 338.433 1.776 20 5 EDBDLO Cc1c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nnn1C ZINC000813172374 593521622 /nfs/dbraw/zinc/52/16/22/593521622.db2.gz KQSZHKURIJPPOZ-AWEZNQCLSA-N 1 2 345.359 1.463 20 5 EDBDLO Cc1c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nnn1C ZINC000813172374 593521623 /nfs/dbraw/zinc/52/16/23/593521623.db2.gz KQSZHKURIJPPOZ-AWEZNQCLSA-N 1 2 345.359 1.463 20 5 EDBDLO O=[N+]([O-])c1ccc(C=Cc2c[nH+]c3ccc(-c4nn[nH]n4)cn23)nc1 ZINC000823635007 594223446 /nfs/dbraw/zinc/22/34/46/594223446.db2.gz PKJHDKLDDRSERJ-RQOWECAXSA-N 1 2 334.299 1.988 20 5 EDBDLO CCc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000827657638 594252847 /nfs/dbraw/zinc/25/28/47/594252847.db2.gz XKZGRPCEJLFWKA-GFCCVEGCSA-N 1 2 336.373 1.777 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827428886 594670915 /nfs/dbraw/zinc/67/09/15/594670915.db2.gz ONGXJEOBZJCUIO-ZDUSSCGKSA-N 1 2 325.340 1.113 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827428886 594670916 /nfs/dbraw/zinc/67/09/16/594670916.db2.gz ONGXJEOBZJCUIO-ZDUSSCGKSA-N 1 2 325.340 1.113 20 5 EDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000845677329 595043162 /nfs/dbraw/zinc/04/31/62/595043162.db2.gz CGDXLXMLCVEHDU-UHFFFAOYSA-N 1 2 346.343 1.075 20 5 EDBDLO CCOC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835192964 595276635 /nfs/dbraw/zinc/27/66/35/595276635.db2.gz JWJMMPCJZFMYFK-JTQLQIEISA-N 1 2 333.300 1.889 20 5 EDBDLO Cc1noc(Cn2nc(C)c([C@H]3COCC[N@H+]3C)c2C)c1[N+](=O)[O-] ZINC000852964494 595632337 /nfs/dbraw/zinc/63/23/37/595632337.db2.gz SAWWQMGHURXCEE-GFCCVEGCSA-N 1 2 335.364 1.756 20 5 EDBDLO Cc1noc(Cn2nc(C)c([C@H]3COCC[N@@H+]3C)c2C)c1[N+](=O)[O-] ZINC000852964494 595632341 /nfs/dbraw/zinc/63/23/41/595632341.db2.gz SAWWQMGHURXCEE-GFCCVEGCSA-N 1 2 335.364 1.756 20 5 EDBDLO CCON(CC)C(=O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000858219529 595733661 /nfs/dbraw/zinc/73/36/61/595733661.db2.gz QWTWKWGQSKPRJI-UHFFFAOYSA-N 1 2 327.337 1.199 20 5 EDBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000853520798 595781844 /nfs/dbraw/zinc/78/18/44/595781844.db2.gz URRJKOBKKILHLG-UHFFFAOYSA-N 1 2 327.385 1.984 20 5 EDBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000853520798 595781845 /nfs/dbraw/zinc/78/18/45/595781845.db2.gz URRJKOBKKILHLG-UHFFFAOYSA-N 1 2 327.385 1.984 20 5 EDBDLO C[NH+]1CCN(c2cc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)ccn2)CC1 ZINC000854085028 595970979 /nfs/dbraw/zinc/97/09/79/595970979.db2.gz OUJLZSCZXLKMND-VXGBXAGGSA-N 1 2 330.348 1.016 20 5 EDBDLO CCOC(=O)[C@]1(F)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000852316503 596122498 /nfs/dbraw/zinc/12/24/98/596122498.db2.gz XHQAPRKWWSYHAW-OAHLLOKOSA-N 1 2 340.355 1.549 20 5 EDBDLO CCOC(=O)[C@]1(F)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000852316503 596122499 /nfs/dbraw/zinc/12/24/99/596122499.db2.gz XHQAPRKWWSYHAW-OAHLLOKOSA-N 1 2 340.355 1.549 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852537025 596193213 /nfs/dbraw/zinc/19/32/13/596193213.db2.gz NTFIVILZQCLWCX-LKFCYVNXSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C(C[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852537025 596193216 /nfs/dbraw/zinc/19/32/16/596193216.db2.gz NTFIVILZQCLWCX-LKFCYVNXSA-N 1 2 325.752 1.643 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852634909 596214725 /nfs/dbraw/zinc/21/47/25/596214725.db2.gz QDJONKXEVAMMNW-GDBMZVCRSA-N 1 2 338.360 1.282 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852634909 596214726 /nfs/dbraw/zinc/21/47/26/596214726.db2.gz QDJONKXEVAMMNW-GDBMZVCRSA-N 1 2 338.360 1.282 20 5 EDBDLO NS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000859958212 596233790 /nfs/dbraw/zinc/23/37/90/596233790.db2.gz QMZQUZQWBPUXJP-UHFFFAOYSA-N 1 2 348.812 1.006 20 5 EDBDLO O=C(/C=C/C[NH+]1CCOCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000864583873 596272149 /nfs/dbraw/zinc/27/21/49/596272149.db2.gz BFZXLYQXVSIRPA-ZZXKWVIFSA-N 1 2 334.376 1.011 20 5 EDBDLO CCc1ccc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000866797017 596351349 /nfs/dbraw/zinc/35/13/49/596351349.db2.gz NEEDXDVPUXJUKC-GFCCVEGCSA-N 1 2 344.389 1.196 20 5 EDBDLO CCc1ccc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000866797017 596351354 /nfs/dbraw/zinc/35/13/54/596351354.db2.gz NEEDXDVPUXJUKC-GFCCVEGCSA-N 1 2 344.389 1.196 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)S1 ZINC000865562266 596611737 /nfs/dbraw/zinc/61/17/37/596611737.db2.gz YMMQMYBYKJYOHW-SECBINFHSA-N 1 2 325.369 1.742 20 5 EDBDLO C[C@H]1C[N@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)[C@@H](C)CO1 ZINC000865936135 596729346 /nfs/dbraw/zinc/72/93/46/596729346.db2.gz GIMQZJJFMMAJEI-QWRGUYRKSA-N 1 2 327.356 1.747 20 5 EDBDLO C[C@H]1C[N@@H+](CCNc2cc(F)c([N+](=O)[O-])cc2CO)[C@@H](C)CO1 ZINC000865936135 596729349 /nfs/dbraw/zinc/72/93/49/596729349.db2.gz GIMQZJJFMMAJEI-QWRGUYRKSA-N 1 2 327.356 1.747 20 5 EDBDLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000872779180 597064298 /nfs/dbraw/zinc/06/42/98/597064298.db2.gz OLSFHJWNAHGMCC-OLZOCXBDSA-N 1 2 339.417 1.671 20 5 EDBDLO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000872779180 597064300 /nfs/dbraw/zinc/06/43/00/597064300.db2.gz OLSFHJWNAHGMCC-OLZOCXBDSA-N 1 2 339.417 1.671 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cnsn1 ZINC001031561715 697252439 /nfs/dbraw/zinc/25/24/39/697252439.db2.gz AECLXHANWMCDRC-UHFFFAOYSA-N 1 2 333.373 1.308 20 5 EDBDLO CCCC[N@H+](CCOC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000068619838 698787330 /nfs/dbraw/zinc/78/73/30/698787330.db2.gz BDJBGLRLOFYGKV-UHFFFAOYSA-N 1 2 335.360 1.897 20 5 EDBDLO CCCC[N@@H+](CCOC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000068619838 698787331 /nfs/dbraw/zinc/78/73/31/698787331.db2.gz BDJBGLRLOFYGKV-UHFFFAOYSA-N 1 2 335.360 1.897 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067417618 215141677 /nfs/dbraw/zinc/14/16/77/215141677.db2.gz IJYZOPPDGBBHHB-AWEZNQCLSA-N 1 2 348.403 1.690 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067417618 215141681 /nfs/dbraw/zinc/14/16/81/215141681.db2.gz IJYZOPPDGBBHHB-AWEZNQCLSA-N 1 2 348.403 1.690 20 5 EDBDLO O=c1c([N+](=O)[O-])cc(Br)cn1CC[N@@H+]1CCCOCC1 ZINC000413000026 304048920 /nfs/dbraw/zinc/04/89/20/304048920.db2.gz NTPNVVAWLYCKFZ-UHFFFAOYSA-N 1 2 346.181 1.241 20 5 EDBDLO O=c1c([N+](=O)[O-])cc(Br)cn1CC[N@H+]1CCCOCC1 ZINC000413000026 304048923 /nfs/dbraw/zinc/04/89/23/304048923.db2.gz NTPNVVAWLYCKFZ-UHFFFAOYSA-N 1 2 346.181 1.241 20 5 EDBDLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189649577 237107066 /nfs/dbraw/zinc/10/70/66/237107066.db2.gz UXRTZRAWNHIQMM-OLZOCXBDSA-N 1 2 337.376 1.659 20 5 EDBDLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189649577 237107073 /nfs/dbraw/zinc/10/70/73/237107073.db2.gz UXRTZRAWNHIQMM-OLZOCXBDSA-N 1 2 337.376 1.659 20 5 EDBDLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414597321 304125690 /nfs/dbraw/zinc/12/56/90/304125690.db2.gz WHIZNOYTSDOKQR-WBMJQRKESA-N 1 2 346.387 1.577 20 5 EDBDLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414597321 304125689 /nfs/dbraw/zinc/12/56/89/304125689.db2.gz WHIZNOYTSDOKQR-WBMJQRKESA-N 1 2 346.387 1.577 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195219147 139010494 /nfs/dbraw/zinc/01/04/94/139010494.db2.gz XBQYXSOEPDHMDR-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000110920376 220079420 /nfs/dbraw/zinc/07/94/20/220079420.db2.gz KDLCWDMWDYVPJR-UHFFFAOYSA-N 1 2 337.376 1.398 20 5 EDBDLO COc1cc(OCC(=O)NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000247912267 139155798 /nfs/dbraw/zinc/15/57/98/139155798.db2.gz YPSRKZCHRIPQNK-UHFFFAOYSA-N 1 2 346.343 1.606 20 5 EDBDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249556931 139195532 /nfs/dbraw/zinc/19/55/32/139195532.db2.gz KDFFJNQFBQCSDE-BXUZGUMPSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249556931 139195533 /nfs/dbraw/zinc/19/55/33/139195533.db2.gz KDFFJNQFBQCSDE-BXUZGUMPSA-N 1 2 328.390 1.071 20 5 EDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261783620 139225740 /nfs/dbraw/zinc/22/57/40/139225740.db2.gz UFHFQBVAGKCPGS-AWEZNQCLSA-N 1 2 348.384 1.325 20 5 EDBDLO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000491824291 255150140 /nfs/dbraw/zinc/15/01/40/255150140.db2.gz DEDKHKLUWNZWRZ-YPMHNXCESA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000491824291 255150141 /nfs/dbraw/zinc/15/01/41/255150141.db2.gz DEDKHKLUWNZWRZ-YPMHNXCESA-N 1 2 339.396 1.984 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491928421 255155390 /nfs/dbraw/zinc/15/53/90/255155390.db2.gz FUDFJZRSRCHDHH-VIFPVBQESA-N 1 2 340.336 1.224 20 5 EDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493131233 255192860 /nfs/dbraw/zinc/19/28/60/255192860.db2.gz IZJNIZNRNOULGA-SNVBAGLBSA-N 1 2 347.824 1.749 20 5 EDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493131233 255192861 /nfs/dbraw/zinc/19/28/61/255192861.db2.gz IZJNIZNRNOULGA-SNVBAGLBSA-N 1 2 347.824 1.749 20 5 EDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000493127424 255192867 /nfs/dbraw/zinc/19/28/67/255192867.db2.gz RYPZNIOXXMEJDO-GEABSHSMSA-N 1 2 331.372 1.587 20 5 EDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000493127424 255192868 /nfs/dbraw/zinc/19/28/68/255192868.db2.gz RYPZNIOXXMEJDO-GEABSHSMSA-N 1 2 331.372 1.587 20 5 EDBDLO O=C(C[NH+]1CCC2(COC(=O)N2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000495256400 255276169 /nfs/dbraw/zinc/27/61/69/255276169.db2.gz YTDMSVNCVLJVAC-UHFFFAOYSA-N 1 2 334.332 1.108 20 5 EDBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742319 255260480 /nfs/dbraw/zinc/26/04/80/255260480.db2.gz MGMWTBALYZVCEE-NEPJUHHUSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000494742319 255260481 /nfs/dbraw/zinc/26/04/81/255260481.db2.gz MGMWTBALYZVCEE-NEPJUHHUSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000264022675 139376240 /nfs/dbraw/zinc/37/62/40/139376240.db2.gz PGTJVLLHHVBPGI-JTQLQIEISA-N 1 2 339.377 1.187 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119770558 221396478 /nfs/dbraw/zinc/39/64/78/221396478.db2.gz AXHSQKOJDIUVAR-ZDUSSCGKSA-N 1 2 346.391 1.396 20 5 EDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000174368492 533598588 /nfs/dbraw/zinc/59/85/88/533598588.db2.gz ZNWCPJBXCWMJJW-GFCCVEGCSA-N 1 2 335.360 1.304 20 5 EDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000174376233 533599238 /nfs/dbraw/zinc/59/92/38/533599238.db2.gz JVMDKEPIAWMKAR-GFCCVEGCSA-N 1 2 335.360 1.304 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000270753761 140162191 /nfs/dbraw/zinc/16/21/91/140162191.db2.gz JQRGIGYALFWTFZ-UHFFFAOYSA-N 1 2 330.348 1.254 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000345636339 143114827 /nfs/dbraw/zinc/11/48/27/143114827.db2.gz MTBFXCPMLVQUGR-CYBMUJFWSA-N 1 2 347.293 1.583 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000345636339 143114828 /nfs/dbraw/zinc/11/48/28/143114828.db2.gz MTBFXCPMLVQUGR-CYBMUJFWSA-N 1 2 347.293 1.583 20 5 EDBDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000346279034 143186357 /nfs/dbraw/zinc/18/63/57/143186357.db2.gz QBAQPYJVVHQSIJ-LBPRGKRZSA-N 1 2 345.359 1.739 20 5 EDBDLO Cc1noc([C@H]2CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000346279034 143186358 /nfs/dbraw/zinc/18/63/58/143186358.db2.gz QBAQPYJVVHQSIJ-LBPRGKRZSA-N 1 2 345.359 1.739 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346634574 143224433 /nfs/dbraw/zinc/22/44/33/143224433.db2.gz GJHAGHJBEPCFFP-NWJSVONSSA-N 1 2 346.387 1.508 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346634574 143224434 /nfs/dbraw/zinc/22/44/34/143224434.db2.gz GJHAGHJBEPCFFP-NWJSVONSSA-N 1 2 346.387 1.508 20 5 EDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000347242467 143299304 /nfs/dbraw/zinc/29/93/04/143299304.db2.gz VLGWTAZQKFHHRX-UHFFFAOYSA-N 1 2 348.338 1.807 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2c([nH+]cn2C)C1 ZINC000369777027 155173297 /nfs/dbraw/zinc/17/32/97/155173297.db2.gz GGZXTXZGMCLAJA-UHFFFAOYSA-N 1 2 345.359 1.334 20 5 EDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352668569 149108545 /nfs/dbraw/zinc/10/85/45/149108545.db2.gz STTQGBKFDDKRFR-KBPBESRZSA-N 1 2 328.390 1.214 20 5 EDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352668569 149108549 /nfs/dbraw/zinc/10/85/49/149108549.db2.gz STTQGBKFDDKRFR-KBPBESRZSA-N 1 2 328.390 1.214 20 5 EDBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355614317 150337645 /nfs/dbraw/zinc/33/76/45/150337645.db2.gz FMKSQMUPEAHPRQ-LBPRGKRZSA-N 1 2 327.406 1.103 20 5 EDBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355614317 150337647 /nfs/dbraw/zinc/33/76/47/150337647.db2.gz FMKSQMUPEAHPRQ-LBPRGKRZSA-N 1 2 327.406 1.103 20 5 EDBDLO Cc1c(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000358113401 151275947 /nfs/dbraw/zinc/27/59/47/151275947.db2.gz YKNFMKWTVJIRLT-LBPRGKRZSA-N 1 2 329.360 1.983 20 5 EDBDLO Cc1c(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000358113401 151275949 /nfs/dbraw/zinc/27/59/49/151275949.db2.gz YKNFMKWTVJIRLT-LBPRGKRZSA-N 1 2 329.360 1.983 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358378178 151354820 /nfs/dbraw/zinc/35/48/20/151354820.db2.gz CSHAABUOMFCVHY-GFCCVEGCSA-N 1 2 336.392 1.423 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000358378178 151354823 /nfs/dbraw/zinc/35/48/23/151354823.db2.gz CSHAABUOMFCVHY-GFCCVEGCSA-N 1 2 336.392 1.423 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H]3CCOC[C@H]32)c([N+](=O)[O-])c1 ZINC000367820768 154283516 /nfs/dbraw/zinc/28/35/16/154283516.db2.gz DPEGZEHFDWLVNH-GDBMZVCRSA-N 1 2 338.360 1.472 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCO[C@@H]3CCOC[C@H]32)c([N+](=O)[O-])c1 ZINC000367820768 154283519 /nfs/dbraw/zinc/28/35/19/154283519.db2.gz DPEGZEHFDWLVNH-GDBMZVCRSA-N 1 2 338.360 1.472 20 5 EDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369144456 154888621 /nfs/dbraw/zinc/88/86/21/154888621.db2.gz PVYGUIFOBMJHIR-GFCCVEGCSA-N 1 2 329.360 1.974 20 5 EDBDLO Cc1cn2c([nH+]1)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000371734474 156083054 /nfs/dbraw/zinc/08/30/54/156083054.db2.gz FZTJKJIILPCLIX-UHFFFAOYSA-N 1 2 329.360 1.578 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374348727 157255125 /nfs/dbraw/zinc/25/51/25/157255125.db2.gz HVNKJDZKPFICLU-AWEZNQCLSA-N 1 2 345.334 1.498 20 5 EDBDLO Cn1cc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccccc2)cn1 ZINC000374611913 157345244 /nfs/dbraw/zinc/34/52/44/157345244.db2.gz KPCGCNGYZMNGAC-HNNXBMFYSA-N 1 2 326.360 1.941 20 5 EDBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375366518 157556568 /nfs/dbraw/zinc/55/65/68/157556568.db2.gz CHDAMDDGWPCIGL-CYBMUJFWSA-N 1 2 340.343 1.916 20 5 EDBDLO CS(=O)(=O)c1cccc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000121947613 286641602 /nfs/dbraw/zinc/64/16/02/286641602.db2.gz DIHCMVRGRBJONV-UHFFFAOYSA-N 1 2 339.417 1.530 20 5 EDBDLO Cc1cc(N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918835 158028744 /nfs/dbraw/zinc/02/87/44/158028744.db2.gz SIKKQXSLGUENIC-GJZGRUSLSA-N 1 2 349.435 1.139 20 5 EDBDLO Cc1cc(N2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918835 158028747 /nfs/dbraw/zinc/02/87/47/158028747.db2.gz SIKKQXSLGUENIC-GJZGRUSLSA-N 1 2 349.435 1.139 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378030305 158061360 /nfs/dbraw/zinc/06/13/60/158061360.db2.gz VLWRZJUCMZHTOB-UHFFFAOYSA-N 1 2 349.734 1.426 20 5 EDBDLO CN(C)c1ccc2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)ccc2[nH+]1 ZINC000352363302 162141724 /nfs/dbraw/zinc/14/17/24/162141724.db2.gz WCXBPNSAPGARKZ-UHFFFAOYSA-N 1 2 341.331 1.439 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354052221 162264566 /nfs/dbraw/zinc/26/45/66/162264566.db2.gz DKESZPDHGXWXQI-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354052221 162264569 /nfs/dbraw/zinc/26/45/69/162264569.db2.gz DKESZPDHGXWXQI-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054646943 287227205 /nfs/dbraw/zinc/22/72/05/287227205.db2.gz BWGXZBLWOPHFOL-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089932209 287325443 /nfs/dbraw/zinc/32/54/43/287325443.db2.gz JPCRVLUSVLAXPU-VXGBXAGGSA-N 1 2 337.376 1.635 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089932209 287325444 /nfs/dbraw/zinc/32/54/44/287325444.db2.gz JPCRVLUSVLAXPU-VXGBXAGGSA-N 1 2 337.376 1.635 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)nc1 ZINC000118866491 287348730 /nfs/dbraw/zinc/34/87/30/287348730.db2.gz JGGFPLBHRXFBDZ-NSHDSACASA-N 1 2 330.348 1.937 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)nc1 ZINC000118866491 287348734 /nfs/dbraw/zinc/34/87/34/287348734.db2.gz JGGFPLBHRXFBDZ-NSHDSACASA-N 1 2 330.348 1.937 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000273621450 268066448 /nfs/dbraw/zinc/06/64/48/268066448.db2.gz OPPDOJYRSHYAHX-OAHLLOKOSA-N 1 2 329.360 1.698 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000273621450 268066449 /nfs/dbraw/zinc/06/64/49/268066449.db2.gz OPPDOJYRSHYAHX-OAHLLOKOSA-N 1 2 329.360 1.698 20 5 EDBDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274852944 268223893 /nfs/dbraw/zinc/22/38/93/268223893.db2.gz UOIQPMLNPYNFTR-NSHDSACASA-N 1 2 345.396 1.885 20 5 EDBDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274852944 268223895 /nfs/dbraw/zinc/22/38/95/268223895.db2.gz UOIQPMLNPYNFTR-NSHDSACASA-N 1 2 345.396 1.885 20 5 EDBDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000273244824 273035616 /nfs/dbraw/zinc/03/56/16/273035616.db2.gz XUPDUDCUZVTGOG-NSHDSACASA-N 1 2 336.348 1.551 20 5 EDBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)cc([N+](=O)[O-])c1 ZINC000274040914 273066908 /nfs/dbraw/zinc/06/69/08/273066908.db2.gz OWJXQEMJIABJAX-GFCCVEGCSA-N 1 2 346.303 1.225 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000277435664 273197089 /nfs/dbraw/zinc/19/70/89/273197089.db2.gz KYYPUXTUWJZGRI-DAOPMYJZSA-N 1 2 342.417 1.683 20 5 EDBDLO COc1ccc(OCC[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000277435664 273197090 /nfs/dbraw/zinc/19/70/90/273197090.db2.gz KYYPUXTUWJZGRI-DAOPMYJZSA-N 1 2 342.417 1.683 20 5 EDBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000279675080 273316953 /nfs/dbraw/zinc/31/69/53/273316953.db2.gz NWHAFTGYRMRAQV-XHDPSFHLSA-N 1 2 337.332 1.883 20 5 EDBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000279675080 273316954 /nfs/dbraw/zinc/31/69/54/273316954.db2.gz NWHAFTGYRMRAQV-XHDPSFHLSA-N 1 2 337.332 1.883 20 5 EDBDLO C[C@@]1(O)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280000027 273338934 /nfs/dbraw/zinc/33/89/34/273338934.db2.gz JGXTUCOPXILBAF-OAHLLOKOSA-N 1 2 342.417 1.605 20 5 EDBDLO C[C@@]1(O)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280000027 273338936 /nfs/dbraw/zinc/33/89/36/273338936.db2.gz JGXTUCOPXILBAF-OAHLLOKOSA-N 1 2 342.417 1.605 20 5 EDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283551131 273887210 /nfs/dbraw/zinc/88/72/10/273887210.db2.gz NGLSLMFIAZENCO-UHFFFAOYSA-N 1 2 338.383 1.376 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000284474259 274215216 /nfs/dbraw/zinc/21/52/16/274215216.db2.gz MBRVRIIIBSRBRE-CHWSQXEVSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000284474259 274215217 /nfs/dbraw/zinc/21/52/17/274215217.db2.gz MBRVRIIIBSRBRE-CHWSQXEVSA-N 1 2 339.779 1.793 20 5 EDBDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000284675175 274289594 /nfs/dbraw/zinc/28/95/94/274289594.db2.gz OWEVRZNHBWMVPJ-KBPBESRZSA-N 1 2 348.359 1.881 20 5 EDBDLO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000284675175 274289597 /nfs/dbraw/zinc/28/95/97/274289597.db2.gz OWEVRZNHBWMVPJ-KBPBESRZSA-N 1 2 348.359 1.881 20 5 EDBDLO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1nc(C2CC2)no1 ZINC000284822515 274346588 /nfs/dbraw/zinc/34/65/88/274346588.db2.gz JQTPJYABPXPCGJ-ZDUSSCGKSA-N 1 2 347.379 1.040 20 5 EDBDLO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1nc(C2CC2)no1 ZINC000284822515 274346590 /nfs/dbraw/zinc/34/65/90/274346590.db2.gz JQTPJYABPXPCGJ-ZDUSSCGKSA-N 1 2 347.379 1.040 20 5 EDBDLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000284850290 274358742 /nfs/dbraw/zinc/35/87/42/274358742.db2.gz QKTKAXKIJTXJCT-KGLIPLIRSA-N 1 2 348.359 1.059 20 5 EDBDLO CN1C(=O)N[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000284850290 274358744 /nfs/dbraw/zinc/35/87/44/274358744.db2.gz QKTKAXKIJTXJCT-KGLIPLIRSA-N 1 2 348.359 1.059 20 5 EDBDLO CN1C(=O)N[C@]2(CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)C1=O ZINC000413113622 277019099 /nfs/dbraw/zinc/01/90/99/277019099.db2.gz WRZPHRGGHKXMHW-INIZCTEOSA-N 1 2 341.327 1.274 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246820718 278215814 /nfs/dbraw/zinc/21/58/14/278215814.db2.gz OSLWOQIOYXUFBK-QWHCGFSZSA-N 1 2 337.376 1.395 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246820718 278215815 /nfs/dbraw/zinc/21/58/15/278215815.db2.gz OSLWOQIOYXUFBK-QWHCGFSZSA-N 1 2 337.376 1.395 20 5 EDBDLO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261754972 281460488 /nfs/dbraw/zinc/46/04/88/281460488.db2.gz VBLMGYCIWFRMAT-WNMQOVRZSA-N 1 2 335.360 1.771 20 5 EDBDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000290937431 288977702 /nfs/dbraw/zinc/97/77/02/288977702.db2.gz KVHWKRCTCPQMNY-AAEUAGOBSA-N 1 2 348.382 1.935 20 5 EDBDLO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCn2c[nH+]cc2C1 ZINC000291180996 289013825 /nfs/dbraw/zinc/01/38/25/289013825.db2.gz SMHSFUOJKMECMD-OAHLLOKOSA-N 1 2 341.327 1.327 20 5 EDBDLO COc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000291397417 289051821 /nfs/dbraw/zinc/05/18/21/289051821.db2.gz XCDMCFWARKDYCQ-UHFFFAOYSA-N 1 2 331.332 1.525 20 5 EDBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000292162018 289277693 /nfs/dbraw/zinc/27/76/93/289277693.db2.gz KWJKXOMRRBWQNN-STQMWFEESA-N 1 2 337.424 1.759 20 5 EDBDLO O=C(C[NH+]1CCC2(CC1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000292953331 289482734 /nfs/dbraw/zinc/48/27/34/289482734.db2.gz IWLGERAHBHSURH-UHFFFAOYSA-N 1 2 335.360 1.762 20 5 EDBDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000369266435 300309813 /nfs/dbraw/zinc/30/98/13/300309813.db2.gz BABOPULKAHTYCK-QWHCGFSZSA-N 1 2 339.417 1.842 20 5 EDBDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000369266435 300309816 /nfs/dbraw/zinc/30/98/16/300309816.db2.gz BABOPULKAHTYCK-QWHCGFSZSA-N 1 2 339.417 1.842 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293721125 303009061 /nfs/dbraw/zinc/00/90/61/303009061.db2.gz FQDXBSOANWPKPP-TXEJJXNPSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293721125 303009063 /nfs/dbraw/zinc/00/90/63/303009063.db2.gz FQDXBSOANWPKPP-TXEJJXNPSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1n1cc[nH+]c1 ZINC000301971391 303705508 /nfs/dbraw/zinc/70/55/08/303705508.db2.gz SGDOLPHLEONMIJ-NEPJUHHUSA-N 1 2 327.348 1.922 20 5 EDBDLO C[C@@H]([NH2+]Cc1nnnn1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000433246652 305103842 /nfs/dbraw/zinc/10/38/42/305103842.db2.gz NZHXFVPBASFDPR-LLVKDONJSA-N 1 2 332.364 1.784 20 5 EDBDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2C1 ZINC000433951303 305115645 /nfs/dbraw/zinc/11/56/45/305115645.db2.gz SKXYFTPMCQUMRY-UHFFFAOYSA-N 1 2 344.327 1.284 20 5 EDBDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2C1 ZINC000433951303 305115646 /nfs/dbraw/zinc/11/56/46/305115646.db2.gz SKXYFTPMCQUMRY-UHFFFAOYSA-N 1 2 344.327 1.284 20 5 EDBDLO CNc1c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000447662180 305283982 /nfs/dbraw/zinc/28/39/82/305283982.db2.gz YVVXMGXERJEPIG-LBPRGKRZSA-N 1 2 336.392 1.429 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C=C[C@H](CO)C1 ZINC000447818187 305286362 /nfs/dbraw/zinc/28/63/62/305286362.db2.gz VNXNPLKQYAGLPW-LSDHHAIUSA-N 1 2 333.388 1.776 20 5 EDBDLO CCC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000450252101 305328478 /nfs/dbraw/zinc/32/84/78/305328478.db2.gz GHLXUJFYKBMTOW-NSHDSACASA-N 1 2 327.406 1.575 20 5 EDBDLO CNC(=O)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456472820 305464792 /nfs/dbraw/zinc/46/47/92/305464792.db2.gz FTEPWYWFBWDBJT-JTQLQIEISA-N 1 2 331.332 1.035 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 ZINC000548912924 306141935 /nfs/dbraw/zinc/14/19/35/306141935.db2.gz ANEIVMNLWFDZLZ-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO O=[N+]([O-])c1cccc(CNc2nc(NCCO)c3ccccc3[nH+]2)c1 ZINC000553615288 306186811 /nfs/dbraw/zinc/18/68/11/306186811.db2.gz IGUWSIOQNJWOAX-UHFFFAOYSA-N 1 2 339.355 1.398 20 5 EDBDLO Cc1c(C(=O)NCCCn2cc[nH+]c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005634685 440962751 /nfs/dbraw/zinc/96/27/51/440962751.db2.gz XSZPCWYZSVKZJG-UHFFFAOYSA-N 1 2 333.304 1.828 20 5 EDBDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000045805825 441040332 /nfs/dbraw/zinc/04/03/32/441040332.db2.gz YSNSPSIPUSKDOV-UHFFFAOYSA-N 1 2 338.364 1.129 20 5 EDBDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000045805825 441040338 /nfs/dbraw/zinc/04/03/38/441040338.db2.gz YSNSPSIPUSKDOV-UHFFFAOYSA-N 1 2 338.364 1.129 20 5 EDBDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000080402077 441167486 /nfs/dbraw/zinc/16/74/86/441167486.db2.gz UFJQERXEGUNVLI-IUODEOHRSA-N 1 2 339.342 1.711 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000047257366 441169507 /nfs/dbraw/zinc/16/95/07/441169507.db2.gz DJBMIHQKEIWXOI-NSHDSACASA-N 1 2 341.331 1.191 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000080966975 441213596 /nfs/dbraw/zinc/21/35/96/441213596.db2.gz OYNVZBNPHWUTJR-LLVKDONJSA-N 1 2 345.359 1.852 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080966975 441213601 /nfs/dbraw/zinc/21/36/01/441213601.db2.gz OYNVZBNPHWUTJR-LLVKDONJSA-N 1 2 345.359 1.852 20 5 EDBDLO COc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000060569120 441251679 /nfs/dbraw/zinc/25/16/79/441251679.db2.gz HISHYBTWBCTJNN-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO CC(=O)N1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000052310429 441446125 /nfs/dbraw/zinc/44/61/25/441446125.db2.gz CJFLSJJMSJCSHZ-UHFFFAOYSA-N 1 2 345.359 1.699 20 5 EDBDLO CC(=O)N1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000052310429 441446131 /nfs/dbraw/zinc/44/61/31/441446131.db2.gz CJFLSJJMSJCSHZ-UHFFFAOYSA-N 1 2 345.359 1.699 20 5 EDBDLO O=C(C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000053430247 441521858 /nfs/dbraw/zinc/52/18/58/441521858.db2.gz PKQHBVSYAPQAEL-UHFFFAOYSA-N 1 2 346.431 1.725 20 5 EDBDLO O=C(CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000053430247 441521861 /nfs/dbraw/zinc/52/18/61/441521861.db2.gz PKQHBVSYAPQAEL-UHFFFAOYSA-N 1 2 346.431 1.725 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000075623265 441542745 /nfs/dbraw/zinc/54/27/45/441542745.db2.gz OVFAZJJECQDYGR-JKSUJKDBSA-N 1 2 332.360 1.226 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000075623265 441542749 /nfs/dbraw/zinc/54/27/49/441542749.db2.gz OVFAZJJECQDYGR-JKSUJKDBSA-N 1 2 332.360 1.226 20 5 EDBDLO COc1ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000113258910 441593435 /nfs/dbraw/zinc/59/34/35/441593435.db2.gz HYHGRWDWHOGSQO-MNOVXSKESA-N 1 2 330.406 1.857 20 5 EDBDLO COc1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000113258910 441593437 /nfs/dbraw/zinc/59/34/37/441593437.db2.gz HYHGRWDWHOGSQO-MNOVXSKESA-N 1 2 330.406 1.857 20 5 EDBDLO Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000092071409 441769085 /nfs/dbraw/zinc/76/90/85/441769085.db2.gz MVUGWHISGQWAML-AWEZNQCLSA-N 1 2 339.417 1.559 20 5 EDBDLO Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000092071409 441769091 /nfs/dbraw/zinc/76/90/91/441769091.db2.gz MVUGWHISGQWAML-AWEZNQCLSA-N 1 2 339.417 1.559 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000173649453 441814978 /nfs/dbraw/zinc/81/49/78/441814978.db2.gz PJVNACXLFCJSLB-UHFFFAOYSA-N 1 2 336.392 1.481 20 5 EDBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119396694 441932397 /nfs/dbraw/zinc/93/23/97/441932397.db2.gz YYYTVGHRDGDGBK-LBPRGKRZSA-N 1 2 326.356 1.939 20 5 EDBDLO Cc1nn(C)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000161291887 441981916 /nfs/dbraw/zinc/98/19/16/441981916.db2.gz XWFIJTIRJCBNQS-NSHDSACASA-N 1 2 330.348 1.040 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126078543 442075243 /nfs/dbraw/zinc/07/52/43/442075243.db2.gz BEVBRMQBMMGNOI-YPMHNXCESA-N 1 2 332.364 1.406 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141741 442181931 /nfs/dbraw/zinc/18/19/31/442181931.db2.gz NNPSQXQLEUSDRE-JSGCOSHPSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141741 442181933 /nfs/dbraw/zinc/18/19/33/442181933.db2.gz NNPSQXQLEUSDRE-JSGCOSHPSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1nc(CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)oc1C ZINC000176229345 442196162 /nfs/dbraw/zinc/19/61/62/442196162.db2.gz HDXWGJNNSHZMHQ-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000153249330 442270831 /nfs/dbraw/zinc/27/08/31/442270831.db2.gz BLTVVHVDNHKXRN-CHWSQXEVSA-N 1 2 333.388 1.589 20 5 EDBDLO C[C@@H]1CN(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000153249330 442270832 /nfs/dbraw/zinc/27/08/32/442270832.db2.gz BLTVVHVDNHKXRN-CHWSQXEVSA-N 1 2 333.388 1.589 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000177335572 442329401 /nfs/dbraw/zinc/32/94/01/442329401.db2.gz PAWDJSQZSVFRAA-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000177335572 442329403 /nfs/dbraw/zinc/32/94/03/442329403.db2.gz PAWDJSQZSVFRAA-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000177163850 442308206 /nfs/dbraw/zinc/30/82/06/442308206.db2.gz BHVBONPNKVUQSV-VHSXEESVSA-N 1 2 329.360 1.826 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171099241 442311658 /nfs/dbraw/zinc/31/16/58/442311658.db2.gz JPAJVKLABCENKR-UHFFFAOYSA-N 1 2 336.392 1.505 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171099241 442311660 /nfs/dbraw/zinc/31/16/60/442311660.db2.gz JPAJVKLABCENKR-UHFFFAOYSA-N 1 2 336.392 1.505 20 5 EDBDLO C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134129968 442452723 /nfs/dbraw/zinc/45/27/23/442452723.db2.gz DRDGSLUDKLOVMH-ABAIWWIYSA-N 1 2 329.360 1.978 20 5 EDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000134545610 442493133 /nfs/dbraw/zinc/49/31/33/442493133.db2.gz GLUUXTXWGSALOR-UHFFFAOYSA-N 1 2 342.352 1.641 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000180544519 442619459 /nfs/dbraw/zinc/61/94/59/442619459.db2.gz OHJCXJNSQXCZDR-UHFFFAOYSA-N 1 2 347.400 1.422 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000180544519 442619463 /nfs/dbraw/zinc/61/94/63/442619463.db2.gz OHJCXJNSQXCZDR-UHFFFAOYSA-N 1 2 347.400 1.422 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188614664 442770483 /nfs/dbraw/zinc/77/04/83/442770483.db2.gz OUISDZBEEHEMPH-DZGCQCFKSA-N 1 2 346.339 1.963 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188614664 442770487 /nfs/dbraw/zinc/77/04/87/442770487.db2.gz OUISDZBEEHEMPH-DZGCQCFKSA-N 1 2 346.339 1.963 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000183246925 442911116 /nfs/dbraw/zinc/91/11/16/442911116.db2.gz IBVXWJOIYOCPIO-CQSZACIVSA-N 1 2 346.431 1.688 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000183246925 442911120 /nfs/dbraw/zinc/91/11/20/442911120.db2.gz IBVXWJOIYOCPIO-CQSZACIVSA-N 1 2 346.431 1.688 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000184518168 443033439 /nfs/dbraw/zinc/03/34/39/443033439.db2.gz FVOLYEZHIXQLFQ-NSHDSACASA-N 1 2 327.344 1.581 20 5 EDBDLO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000268481841 443004619 /nfs/dbraw/zinc/00/46/19/443004619.db2.gz LKMHWKWYEOBWLA-VIFPVBQESA-N 1 2 345.197 1.885 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266326210 443098377 /nfs/dbraw/zinc/09/83/77/443098377.db2.gz GENRSVLJNGGTPE-NSHDSACASA-N 1 2 330.335 1.854 20 5 EDBDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266326210 443098380 /nfs/dbraw/zinc/09/83/80/443098380.db2.gz GENRSVLJNGGTPE-NSHDSACASA-N 1 2 330.335 1.854 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266858295 443269573 /nfs/dbraw/zinc/26/95/73/443269573.db2.gz IEHCBUKIHOAOTL-NOZJJQNGSA-N 1 2 347.293 1.921 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266858295 443269576 /nfs/dbraw/zinc/26/95/76/443269576.db2.gz IEHCBUKIHOAOTL-NOZJJQNGSA-N 1 2 347.293 1.921 20 5 EDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269527197 443337557 /nfs/dbraw/zinc/33/75/57/443337557.db2.gz ICGLTQWKCWHPKN-UHFFFAOYSA-N 1 2 331.332 1.715 20 5 EDBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCNC1=O ZINC000282439154 443339563 /nfs/dbraw/zinc/33/95/63/443339563.db2.gz RUVMMYRVRUUDFW-GFCCVEGCSA-N 1 2 340.767 1.397 20 5 EDBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCNC1=O ZINC000282439154 443339566 /nfs/dbraw/zinc/33/95/66/443339566.db2.gz RUVMMYRVRUUDFW-GFCCVEGCSA-N 1 2 340.767 1.397 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272767407 443437766 /nfs/dbraw/zinc/43/77/66/443437766.db2.gz DOIOINNUVHICTC-UHFFFAOYSA-N 1 2 340.811 1.630 20 5 EDBDLO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272844812 443464724 /nfs/dbraw/zinc/46/47/24/443464724.db2.gz NNQGIGNPCLPXPT-NXEZZACHSA-N 1 2 345.446 1.733 20 5 EDBDLO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272844812 443464725 /nfs/dbraw/zinc/46/47/25/443464725.db2.gz NNQGIGNPCLPXPT-NXEZZACHSA-N 1 2 345.446 1.733 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000264994489 443503832 /nfs/dbraw/zinc/50/38/32/443503832.db2.gz XPZCHUIPUSRQBU-UHFFFAOYSA-N 1 2 339.417 1.762 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000283041702 443504320 /nfs/dbraw/zinc/50/43/20/443504320.db2.gz IIOUYZPKDVPGQF-GFCCVEGCSA-N 1 2 328.365 1.885 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000283041702 443504322 /nfs/dbraw/zinc/50/43/22/443504322.db2.gz IIOUYZPKDVPGQF-GFCCVEGCSA-N 1 2 328.365 1.885 20 5 EDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000264978942 443498514 /nfs/dbraw/zinc/49/85/14/443498514.db2.gz SZMKDMRSKIEISZ-UHFFFAOYSA-N 1 2 339.417 1.595 20 5 EDBDLO C[C@@H]1OCC[C@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279373030 443568106 /nfs/dbraw/zinc/56/81/06/443568106.db2.gz DXHHZJBNRVJICF-ZBEGNZNMSA-N 1 2 346.343 1.050 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000432888573 319968949 /nfs/dbraw/zinc/96/89/49/319968949.db2.gz VCZPTBQTVPYZLE-IAQYHMDHSA-N 1 2 330.344 1.978 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)n2)c1 ZINC000447905560 320146533 /nfs/dbraw/zinc/14/65/33/320146533.db2.gz MTROEQUBNRWXJW-STQMWFEESA-N 1 2 334.332 1.274 20 5 EDBDLO COc1cccc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000280139344 443670997 /nfs/dbraw/zinc/67/09/97/443670997.db2.gz BTJCOWFBTLYNFM-ZDUSSCGKSA-N 1 2 331.376 1.830 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280361393 443702787 /nfs/dbraw/zinc/70/27/87/443702787.db2.gz JUKSEXZMXOWOHN-PBFPGSCMSA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280361393 443702789 /nfs/dbraw/zinc/70/27/89/443702789.db2.gz JUKSEXZMXOWOHN-PBFPGSCMSA-N 1 2 349.387 1.802 20 5 EDBDLO Cc1c(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000283886848 443755568 /nfs/dbraw/zinc/75/55/68/443755568.db2.gz CNISFKJWWRGJPZ-CVEARBPZSA-N 1 2 333.388 1.377 20 5 EDBDLO Cc1c(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000283886848 443755571 /nfs/dbraw/zinc/75/55/71/443755571.db2.gz CNISFKJWWRGJPZ-CVEARBPZSA-N 1 2 333.388 1.377 20 5 EDBDLO Cc1nnc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000532100817 320673461 /nfs/dbraw/zinc/67/34/61/320673461.db2.gz JGGKGWYBYHNPCO-SECBINFHSA-N 1 2 342.315 1.963 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285614663 444048121 /nfs/dbraw/zinc/04/81/21/444048121.db2.gz QGGXCGPFELMCEZ-ZWKOPEQDSA-N 1 2 334.332 1.397 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285614663 444048124 /nfs/dbraw/zinc/04/81/24/444048124.db2.gz QGGXCGPFELMCEZ-ZWKOPEQDSA-N 1 2 334.332 1.397 20 5 EDBDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000285717196 444083551 /nfs/dbraw/zinc/08/35/51/444083551.db2.gz PWRDHYIZMYRJMT-ZDUSSCGKSA-N 1 2 333.348 1.675 20 5 EDBDLO Cc1noc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000285717196 444083557 /nfs/dbraw/zinc/08/35/57/444083557.db2.gz PWRDHYIZMYRJMT-ZDUSSCGKSA-N 1 2 333.348 1.675 20 5 EDBDLO Cc1nc(CC[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000299618165 444096700 /nfs/dbraw/zinc/09/67/00/444096700.db2.gz PSAIUMLINXPYGC-SNVBAGLBSA-N 1 2 333.348 1.788 20 5 EDBDLO Cc1nc(CC[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000299618165 444096701 /nfs/dbraw/zinc/09/67/01/444096701.db2.gz PSAIUMLINXPYGC-SNVBAGLBSA-N 1 2 333.348 1.788 20 5 EDBDLO Cc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301618726 444182448 /nfs/dbraw/zinc/18/24/48/444182448.db2.gz DCKDQYQCVRBCQY-UHFFFAOYSA-N 1 2 333.392 1.043 20 5 EDBDLO C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000290510019 444289316 /nfs/dbraw/zinc/28/93/16/444289316.db2.gz BJCMKEFVPDUDEF-CMPLNLGQSA-N 1 2 330.348 1.373 20 5 EDBDLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341116074 444681909 /nfs/dbraw/zinc/68/19/09/444681909.db2.gz ZENVYHYXBFQQSE-STQMWFEESA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341116074 444681906 /nfs/dbraw/zinc/68/19/06/444681906.db2.gz ZENVYHYXBFQQSE-STQMWFEESA-N 1 2 336.392 1.676 20 5 EDBDLO C[N@H+](CC[C@@H]1CCCO1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342608379 444774643 /nfs/dbraw/zinc/77/46/43/444774643.db2.gz SUGHIRYNTDQEFE-AWEZNQCLSA-N 1 2 342.417 1.869 20 5 EDBDLO C[N@@H+](CC[C@@H]1CCCO1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342608379 444774645 /nfs/dbraw/zinc/77/46/45/444774645.db2.gz SUGHIRYNTDQEFE-AWEZNQCLSA-N 1 2 342.417 1.869 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCn1cc(Br)cn1 ZINC000344202390 444837268 /nfs/dbraw/zinc/83/72/68/444837268.db2.gz ZJVDLMWYPHRHJH-UHFFFAOYSA-N 1 2 343.185 1.419 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000344202390 444837270 /nfs/dbraw/zinc/83/72/70/444837270.db2.gz ZJVDLMWYPHRHJH-UHFFFAOYSA-N 1 2 343.185 1.419 20 5 EDBDLO COC[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000344359477 444917618 /nfs/dbraw/zinc/91/76/18/444917618.db2.gz GHQMLSFOXKOOQF-NEPJUHHUSA-N 1 2 328.340 1.978 20 5 EDBDLO COC[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000344359477 444917623 /nfs/dbraw/zinc/91/76/23/444917623.db2.gz GHQMLSFOXKOOQF-NEPJUHHUSA-N 1 2 328.340 1.978 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000337325198 445033842 /nfs/dbraw/zinc/03/38/42/445033842.db2.gz NVPJDDHKSICJGD-LLVKDONJSA-N 1 2 328.328 1.477 20 5 EDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330798192 445145638 /nfs/dbraw/zinc/14/56/38/445145638.db2.gz YAHHFQCQEDJLNC-CYBMUJFWSA-N 1 2 343.387 1.847 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000346612093 445219486 /nfs/dbraw/zinc/21/94/86/445219486.db2.gz YSFVHFISFXWPCR-UHFFFAOYSA-N 1 2 345.359 1.427 20 5 EDBDLO COc1c(C(=O)NCc2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000354563758 445296041 /nfs/dbraw/zinc/29/60/41/445296041.db2.gz HUZLPFAEUABOHF-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351873592 445349695 /nfs/dbraw/zinc/34/96/95/445349695.db2.gz HMRICGDLOVIXHN-JTQLQIEISA-N 1 2 347.331 1.451 20 5 EDBDLO COC(=O)c1cnoc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351873592 445349698 /nfs/dbraw/zinc/34/96/98/445349698.db2.gz HMRICGDLOVIXHN-JTQLQIEISA-N 1 2 347.331 1.451 20 5 EDBDLO COC(=O)COc1ccc(CNc2cc[nH+]cc2F)cc1[N+](=O)[O-] ZINC000362795260 445553006 /nfs/dbraw/zinc/55/30/06/445553006.db2.gz IPFIICWHIDKODY-UHFFFAOYSA-N 1 2 335.291 1.715 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000362894673 445599640 /nfs/dbraw/zinc/59/96/40/445599640.db2.gz DLYMOPLHCXKSGK-CQSZACIVSA-N 1 2 341.433 1.864 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000362894673 445599645 /nfs/dbraw/zinc/59/96/45/445599645.db2.gz DLYMOPLHCXKSGK-CQSZACIVSA-N 1 2 341.433 1.864 20 5 EDBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000362897354 445601569 /nfs/dbraw/zinc/60/15/69/445601569.db2.gz WATNLXIPMBLGOB-ZDUSSCGKSA-N 1 2 345.396 1.695 20 5 EDBDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000362897354 445601573 /nfs/dbraw/zinc/60/15/73/445601573.db2.gz WATNLXIPMBLGOB-ZDUSSCGKSA-N 1 2 345.396 1.695 20 5 EDBDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000360195730 445623158 /nfs/dbraw/zinc/62/31/58/445623158.db2.gz VMAUFNFEGJJZIX-INIZCTEOSA-N 1 2 333.388 1.808 20 5 EDBDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000360195730 445623161 /nfs/dbraw/zinc/62/31/61/445623161.db2.gz VMAUFNFEGJJZIX-INIZCTEOSA-N 1 2 333.388 1.808 20 5 EDBDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000358824946 445795278 /nfs/dbraw/zinc/79/52/78/445795278.db2.gz NYXYFSROQNBADG-VIFPVBQESA-N 1 2 334.336 1.021 20 5 EDBDLO O=C(NC[C@H]1CC[C@H](CO)O1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356517185 445836232 /nfs/dbraw/zinc/83/62/32/445836232.db2.gz GNBAZROFJRZWKW-CHWSQXEVSA-N 1 2 346.343 1.050 20 5 EDBDLO C[N@@H+]1CCN(C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000365568416 446256702 /nfs/dbraw/zinc/25/67/02/446256702.db2.gz VTVRONCRFVSJJA-UHFFFAOYSA-N 1 2 336.367 1.477 20 5 EDBDLO C[N@H+]1CCN(C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000365568416 446256706 /nfs/dbraw/zinc/25/67/06/446256706.db2.gz VTVRONCRFVSJJA-UHFFFAOYSA-N 1 2 336.367 1.477 20 5 EDBDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000370611142 446357621 /nfs/dbraw/zinc/35/76/21/446357621.db2.gz VJNNIHKHMKIKQA-HUUCEWRRSA-N 1 2 347.375 1.358 20 5 EDBDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000370611142 446357627 /nfs/dbraw/zinc/35/76/27/446357627.db2.gz VJNNIHKHMKIKQA-HUUCEWRRSA-N 1 2 347.375 1.358 20 5 EDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000366902759 446404634 /nfs/dbraw/zinc/40/46/34/446404634.db2.gz LSCWUQSQLMKTRD-CHWSQXEVSA-N 1 2 343.343 1.355 20 5 EDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000366902759 446404639 /nfs/dbraw/zinc/40/46/39/446404639.db2.gz LSCWUQSQLMKTRD-CHWSQXEVSA-N 1 2 343.343 1.355 20 5 EDBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411300472 446477713 /nfs/dbraw/zinc/47/77/13/446477713.db2.gz XMNLIPIJUWBJGG-VXEWELBQSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411300472 446477715 /nfs/dbraw/zinc/47/77/15/446477715.db2.gz XMNLIPIJUWBJGG-VXEWELBQSA-N 1 2 339.417 1.765 20 5 EDBDLO Cc1c(CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000423690129 446641594 /nfs/dbraw/zinc/64/15/94/446641594.db2.gz DEEVVBOGYNENID-GFCCVEGCSA-N 1 2 327.331 1.807 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412024293 446790969 /nfs/dbraw/zinc/79/09/69/446790969.db2.gz BQEASEOMOAJDMG-GFCCVEGCSA-N 1 2 344.375 1.758 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412024293 446790974 /nfs/dbraw/zinc/79/09/74/446790974.db2.gz BQEASEOMOAJDMG-GFCCVEGCSA-N 1 2 344.375 1.758 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412024293 446790980 /nfs/dbraw/zinc/79/09/80/446790980.db2.gz BQEASEOMOAJDMG-GFCCVEGCSA-N 1 2 344.375 1.758 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412024293 446790982 /nfs/dbraw/zinc/79/09/82/446790982.db2.gz BQEASEOMOAJDMG-GFCCVEGCSA-N 1 2 344.375 1.758 20 5 EDBDLO CC[C@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1[nH]cc[nH+]1 ZINC000442799004 446972693 /nfs/dbraw/zinc/97/26/93/446972693.db2.gz XVSFBKBCISLVAL-LBPRGKRZSA-N 1 2 345.359 1.624 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH+]3CCN2CC3)c(C(F)(F)F)c1 ZINC000413204360 447068008 /nfs/dbraw/zinc/06/80/08/447068008.db2.gz OGNGXBXGBITFFM-SNVBAGLBSA-N 1 2 331.298 1.420 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377434503 447131196 /nfs/dbraw/zinc/13/11/96/447131196.db2.gz FXILWWCQOQIZMW-UHFFFAOYSA-N 1 2 340.299 1.831 20 5 EDBDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)on1 ZINC000369012126 447261466 /nfs/dbraw/zinc/26/14/66/447261466.db2.gz WQBWEMOYGOUANX-VXGBXAGGSA-N 1 2 348.363 1.752 20 5 EDBDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)on1 ZINC000369012126 447261476 /nfs/dbraw/zinc/26/14/76/447261476.db2.gz WQBWEMOYGOUANX-VXGBXAGGSA-N 1 2 348.363 1.752 20 5 EDBDLO Cn1c[nH+]c(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000457534812 447591429 /nfs/dbraw/zinc/59/14/29/447591429.db2.gz QBXTYQNNDQMUQC-UHFFFAOYSA-N 1 2 332.364 1.282 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1=O ZINC000450750161 447563093 /nfs/dbraw/zinc/56/30/93/447563093.db2.gz BDNXKPXTLCVMHH-LLVKDONJSA-N 1 2 328.328 1.832 20 5 EDBDLO COc1cc2cc[nH+]cc2cc1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000554248376 448017577 /nfs/dbraw/zinc/01/75/77/448017577.db2.gz ZFTFPNUGNKGUFA-CQSZACIVSA-N 1 2 344.327 1.788 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491950336 448154981 /nfs/dbraw/zinc/15/49/81/448154981.db2.gz CCHMLZNMTMRVLP-YVMONPNESA-N 1 2 346.387 1.016 20 5 EDBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NS(C)(=O)=O ZINC000591146271 448272056 /nfs/dbraw/zinc/27/20/56/448272056.db2.gz SOBZOJUMQGZVKC-UHFFFAOYSA-N 1 2 338.389 1.883 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532707953 448299915 /nfs/dbraw/zinc/29/99/15/448299915.db2.gz GXMRDCHHZZVEDU-NWDGAFQWSA-N 1 2 327.406 1.669 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532707953 448299917 /nfs/dbraw/zinc/29/99/17/448299917.db2.gz GXMRDCHHZZVEDU-NWDGAFQWSA-N 1 2 327.406 1.669 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000582972523 448394460 /nfs/dbraw/zinc/39/44/60/448394460.db2.gz GVWZTLFPSXDKSO-MRXNPFEDSA-N 1 2 332.360 1.196 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000582972523 448394463 /nfs/dbraw/zinc/39/44/63/448394463.db2.gz GVWZTLFPSXDKSO-MRXNPFEDSA-N 1 2 332.360 1.196 20 5 EDBDLO 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O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853526254 595785302 /nfs/dbraw/zinc/78/53/02/595785302.db2.gz WOGIOYONWTXJPH-NSHDSACASA-N 1 2 344.331 1.074 20 5 EDBDLO C[N@@H+](CC1=CCCOC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000853562430 595805286 /nfs/dbraw/zinc/80/52/86/595805286.db2.gz ORZQHQMMSLKURD-KRWDZBQOSA-N 1 2 347.371 1.768 20 5 EDBDLO C[N@H+](CC1=CCCOC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000853562430 595805287 /nfs/dbraw/zinc/80/52/87/595805287.db2.gz ORZQHQMMSLKURD-KRWDZBQOSA-N 1 2 347.371 1.768 20 5 EDBDLO CCn1ncc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000858652130 595855807 /nfs/dbraw/zinc/85/58/07/595855807.db2.gz AXDXRSVIIJYEDK-UHFFFAOYSA-N 1 2 346.391 1.651 20 5 EDBDLO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000854895454 596225944 /nfs/dbraw/zinc/22/59/44/596225944.db2.gz ACTRZRILXIFAJR-LLVKDONJSA-N 1 2 341.795 1.695 20 5 EDBDLO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000854895454 596225946 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20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721180 597043946 /nfs/dbraw/zinc/04/39/46/597043946.db2.gz CTGHLMHPDBVZAT-MNOVXSKESA-N 1 2 347.396 1.833 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721180 597043950 /nfs/dbraw/zinc/04/39/50/597043950.db2.gz CTGHLMHPDBVZAT-MNOVXSKESA-N 1 2 347.396 1.833 20 5 EDBDLO CN1CC[NH+](C2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000877747655 597552992 /nfs/dbraw/zinc/55/29/92/597552992.db2.gz WGYUJDJQCKMDQT-UHFFFAOYSA-N 1 2 334.420 1.512 20 5 EDBDLO COC(=O)[C@@H](Cc1cncs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877804090 597559369 /nfs/dbraw/zinc/55/93/69/597559369.db2.gz NOAUBPHFMDIUIV-CQSZACIVSA-N 1 2 335.385 1.968 20 5 EDBDLO O=[N+]([O-])c1ccc(CCn2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000883991951 597963772 /nfs/dbraw/zinc/96/37/72/597963772.db2.gz WMGAUXUHVXGISG-UHFFFAOYSA-N 1 2 331.376 1.386 20 5 EDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000882766987 598050089 /nfs/dbraw/zinc/05/00/89/598050089.db2.gz XBLVYUQCPZCIBT-SECBINFHSA-N 1 2 333.797 1.621 20 5 EDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000882766987 598050093 /nfs/dbraw/zinc/05/00/93/598050093.db2.gz XBLVYUQCPZCIBT-SECBINFHSA-N 1 2 333.797 1.621 20 5 EDBDLO O=C(NCC1C[NH+](Cc2nc3ccccc3o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661980 697437057 /nfs/dbraw/zinc/43/70/57/697437057.db2.gz POWUGTIYMCAWAN-DGCLKSJQSA-N 1 2 330.344 1.041 20 5 EDBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001002373964 708875435 /nfs/dbraw/zinc/87/54/35/708875435.db2.gz CNFKSODPDJPBDP-UHFFFAOYSA-N 1 2 335.389 1.774 20 5 EDBDLO Cc1cocc1C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001003433526 710347737 /nfs/dbraw/zinc/34/77/37/710347737.db2.gz RNYZUUSDHWYKKQ-UHFFFAOYSA-N 1 2 347.375 1.624 20 5 EDBDLO CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375188 215138335 /nfs/dbraw/zinc/13/83/35/215138335.db2.gz QFJSRWJUTHMRLO-AWEZNQCLSA-N 1 2 334.376 1.157 20 5 EDBDLO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375188 215138338 /nfs/dbraw/zinc/13/83/38/215138338.db2.gz QFJSRWJUTHMRLO-AWEZNQCLSA-N 1 2 334.376 1.157 20 5 EDBDLO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000412695163 304027922 /nfs/dbraw/zinc/02/79/22/304027922.db2.gz ISAJQJDZRPMEQR-LBPRGKRZSA-N 1 2 329.360 1.664 20 5 EDBDLO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000412695163 304027924 /nfs/dbraw/zinc/02/79/24/304027924.db2.gz ISAJQJDZRPMEQR-LBPRGKRZSA-N 1 2 329.360 1.664 20 5 EDBDLO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+]1CCN(C)CC1 ZINC000183601233 235158696 /nfs/dbraw/zinc/15/86/96/235158696.db2.gz NWQWLGRTDARCKI-AWEZNQCLSA-N 1 2 346.431 1.722 20 5 EDBDLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000563465618 306334881 /nfs/dbraw/zinc/33/48/81/306334881.db2.gz WTUHEHLZXVQHCP-UHFFFAOYSA-N 1 2 328.319 1.697 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185416016 235663021 /nfs/dbraw/zinc/66/30/21/235663021.db2.gz WUOYXHJSPITUAO-UHFFFAOYSA-N 1 2 341.371 1.964 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093530854 138293897 /nfs/dbraw/zinc/29/38/97/138293897.db2.gz SCADKVOORABZCJ-DIECRNLCSA-N 1 2 325.390 1.232 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093530854 138293898 /nfs/dbraw/zinc/29/38/98/138293898.db2.gz SCADKVOORABZCJ-DIECRNLCSA-N 1 2 325.390 1.232 20 5 EDBDLO Nc1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000131189855 138353984 /nfs/dbraw/zinc/35/39/84/138353984.db2.gz RXYUSCQZFBSDFD-ZDUSSCGKSA-N 1 2 341.371 1.971 20 5 EDBDLO CSc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187266545 236162987 /nfs/dbraw/zinc/16/29/87/236162987.db2.gz ZEVQPWTXWAKDNK-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO CSc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187266545 236162990 /nfs/dbraw/zinc/16/29/90/236162990.db2.gz ZEVQPWTXWAKDNK-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO NC(=O)c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000369085442 283378266 /nfs/dbraw/zinc/37/82/66/283378266.db2.gz RYEBHGLJLSQJBW-CQSZACIVSA-N 1 2 345.359 1.367 20 5 EDBDLO CCS(=O)(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193240103 138964512 /nfs/dbraw/zinc/96/45/12/138964512.db2.gz SIBWYHPUNBNRJB-UHFFFAOYSA-N 1 2 342.417 1.873 20 5 EDBDLO COCCO[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000189738325 533173758 /nfs/dbraw/zinc/17/37/58/533173758.db2.gz ZCYOCDSNHFQILO-CQSZACIVSA-N 1 2 348.359 1.882 20 5 EDBDLO COCCO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000189738325 533173762 /nfs/dbraw/zinc/17/37/62/533173762.db2.gz ZCYOCDSNHFQILO-CQSZACIVSA-N 1 2 348.359 1.882 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000491867667 255153353 /nfs/dbraw/zinc/15/33/53/255153353.db2.gz JLQZDTUAYQDIBX-SECBINFHSA-N 1 2 342.402 1.455 20 5 EDBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491888357 255154114 /nfs/dbraw/zinc/15/41/14/255154114.db2.gz SSZOBTVDMDOMPU-UTCJRWHESA-N 1 2 341.371 1.676 20 5 EDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119770698 221396465 /nfs/dbraw/zinc/39/64/65/221396465.db2.gz AXHSQKOJDIUVAR-CYBMUJFWSA-N 1 2 346.391 1.396 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000376803603 291997130 /nfs/dbraw/zinc/99/71/30/291997130.db2.gz WRFALYYESABFSC-SNVBAGLBSA-N 1 2 335.332 1.131 20 5 EDBDLO NC(=O)c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269863197 140008397 /nfs/dbraw/zinc/00/83/97/140008397.db2.gz JVPUPGILIMBZER-LBPRGKRZSA-N 1 2 327.344 1.780 20 5 EDBDLO Cn1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000332111314 141125159 /nfs/dbraw/zinc/12/51/59/141125159.db2.gz TUXCWGCOIIURPG-UHFFFAOYSA-N 1 2 334.401 1.953 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332317990 141161480 /nfs/dbraw/zinc/16/14/80/141161480.db2.gz QVUOZYWWKNYAND-CQSZACIVSA-N 1 2 348.403 1.248 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000332317990 141161481 /nfs/dbraw/zinc/16/14/81/141161481.db2.gz QVUOZYWWKNYAND-CQSZACIVSA-N 1 2 348.403 1.248 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000332317990 141161482 /nfs/dbraw/zinc/16/14/82/141161482.db2.gz QVUOZYWWKNYAND-CQSZACIVSA-N 1 2 348.403 1.248 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332533824 141198049 /nfs/dbraw/zinc/19/80/49/141198049.db2.gz XBTWFSWFBBXMFO-ZFWWWQNUSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332533824 141198050 /nfs/dbraw/zinc/19/80/50/141198050.db2.gz XBTWFSWFBBXMFO-ZFWWWQNUSA-N 1 2 335.360 1.149 20 5 EDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000345280699 143072951 /nfs/dbraw/zinc/07/29/51/143072951.db2.gz 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O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1cn[nH]c1 ZINC000357619894 151087775 /nfs/dbraw/zinc/08/77/75/151087775.db2.gz SMZMGDMZYWWALB-UHFFFAOYSA-N 1 2 331.376 1.805 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000363893791 153088323 /nfs/dbraw/zinc/08/83/23/153088323.db2.gz YKTSFCQRHXJQKV-UHFFFAOYSA-N 1 2 348.447 1.936 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000363893791 153088324 /nfs/dbraw/zinc/08/83/24/153088324.db2.gz YKTSFCQRHXJQKV-UHFFFAOYSA-N 1 2 348.447 1.936 20 5 EDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364591321 153281393 /nfs/dbraw/zinc/28/13/93/153281393.db2.gz RPBMELGPPOQDGU-LQJRIPTKSA-N 1 2 334.332 1.589 20 5 EDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364591321 153281396 /nfs/dbraw/zinc/28/13/96/153281396.db2.gz RPBMELGPPOQDGU-LQJRIPTKSA-N 1 2 334.332 1.589 20 5 EDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364591322 153281500 /nfs/dbraw/zinc/28/15/00/153281500.db2.gz RPBMELGPPOQDGU-WFBYXXMGSA-N 1 2 334.332 1.589 20 5 EDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364591322 153281501 /nfs/dbraw/zinc/28/15/01/153281501.db2.gz RPBMELGPPOQDGU-WFBYXXMGSA-N 1 2 334.332 1.589 20 5 EDBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000364703798 153309411 /nfs/dbraw/zinc/30/94/11/153309411.db2.gz DTCJNWUFOLAIEI-NSHDSACASA-N 1 2 329.360 1.708 20 5 EDBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000364842436 153349101 /nfs/dbraw/zinc/34/91/01/153349101.db2.gz FSHHTOUTAWYGNG-UHFFFAOYSA-N 1 2 349.347 1.206 20 5 EDBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000364842436 153349106 /nfs/dbraw/zinc/34/91/06/153349106.db2.gz FSHHTOUTAWYGNG-UHFFFAOYSA-N 1 2 349.347 1.206 20 5 EDBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000369570105 155090563 /nfs/dbraw/zinc/09/05/63/155090563.db2.gz MNZLFEQKVUGSBZ-ZDUSSCGKSA-N 1 2 344.371 1.891 20 5 EDBDLO CN1CCN(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C(=O)C1 ZINC000374745025 157385691 /nfs/dbraw/zinc/38/56/91/157385691.db2.gz UXTIHRYBMKIPDQ-UHFFFAOYSA-N 1 2 338.433 1.395 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000378198800 158106038 /nfs/dbraw/zinc/10/60/38/158106038.db2.gz HDJIJPXZQPGPBT-SECBINFHSA-N 1 2 346.343 1.622 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000378198800 158106039 /nfs/dbraw/zinc/10/60/39/158106039.db2.gz HDJIJPXZQPGPBT-SECBINFHSA-N 1 2 346.343 1.622 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000352191474 162041769 /nfs/dbraw/zinc/04/17/69/162041769.db2.gz VIYVZAPVHOTGMH-CABCVRRESA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000352191474 162041771 /nfs/dbraw/zinc/04/17/71/162041771.db2.gz VIYVZAPVHOTGMH-CABCVRRESA-N 1 2 330.344 1.231 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119612213 287354435 /nfs/dbraw/zinc/35/44/35/287354435.db2.gz QJTDYUWHXBAWHN-JTQLQIEISA-N 1 2 347.824 1.762 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119612213 287354438 /nfs/dbraw/zinc/35/44/38/287354438.db2.gz QJTDYUWHXBAWHN-JTQLQIEISA-N 1 2 347.824 1.762 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000191854324 272982061 /nfs/dbraw/zinc/98/20/61/272982061.db2.gz CZEXYEMGZRGBJU-GFCCVEGCSA-N 1 2 346.391 1.640 20 5 EDBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348195 268032242 /nfs/dbraw/zinc/03/22/42/268032242.db2.gz OUBJHXUSAUNTOQ-VGTRVLQQSA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348195 268032244 /nfs/dbraw/zinc/03/22/44/268032244.db2.gz OUBJHXUSAUNTOQ-VGTRVLQQSA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273461487 268044841 /nfs/dbraw/zinc/04/48/41/268044841.db2.gz MZMONVWDJJGHHE-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO COC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000275457144 268345809 /nfs/dbraw/zinc/34/58/09/268345809.db2.gz JMDLNDVUYFUXSE-UHFFFAOYSA-N 1 2 339.323 1.700 20 5 EDBDLO COC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000275457144 268345810 /nfs/dbraw/zinc/34/58/10/268345810.db2.gz JMDLNDVUYFUXSE-UHFFFAOYSA-N 1 2 339.323 1.700 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275499179 268351483 /nfs/dbraw/zinc/35/14/83/268351483.db2.gz AEKUGCLOCPSBFL-MRXNPFEDSA-N 1 2 333.388 1.778 20 5 EDBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275499179 268351484 /nfs/dbraw/zinc/35/14/84/268351484.db2.gz AEKUGCLOCPSBFL-MRXNPFEDSA-N 1 2 333.388 1.778 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000275556133 268359890 /nfs/dbraw/zinc/35/98/90/268359890.db2.gz DOUGNQUYANFGPE-ZDUSSCGKSA-N 1 2 349.391 1.564 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000275556133 268359891 /nfs/dbraw/zinc/35/98/91/268359891.db2.gz DOUGNQUYANFGPE-ZDUSSCGKSA-N 1 2 349.391 1.564 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCO)CC1 ZINC000277761788 273224505 /nfs/dbraw/zinc/22/45/05/273224505.db2.gz KIJMRONPVZHYQU-UHFFFAOYSA-N 1 2 343.767 1.149 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000279303883 273291814 /nfs/dbraw/zinc/29/18/14/273291814.db2.gz MSUZOIBIMIXARL-ZDUSSCGKSA-N 1 2 336.392 1.186 20 5 EDBDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000284526667 274233882 /nfs/dbraw/zinc/23/38/82/274233882.db2.gz FEXAQDSJOFDERC-KBPBESRZSA-N 1 2 337.376 1.577 20 5 EDBDLO COC[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000284526667 274233885 /nfs/dbraw/zinc/23/38/85/274233885.db2.gz FEXAQDSJOFDERC-KBPBESRZSA-N 1 2 337.376 1.577 20 5 EDBDLO Cc1noc([C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284580475 274252250 /nfs/dbraw/zinc/25/22/50/274252250.db2.gz HBKVLXYNNBBIMX-HNNXBMFYSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1noc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284580475 274252251 /nfs/dbraw/zinc/25/22/51/274252251.db2.gz HBKVLXYNNBBIMX-HNNXBMFYSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1sc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285687615 274618547 /nfs/dbraw/zinc/61/85/47/274618547.db2.gz GSUFWXBIRBIVAL-ZYHUDNBSSA-N 1 2 339.417 1.900 20 5 EDBDLO CC[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286447137 288008046 /nfs/dbraw/zinc/00/80/46/288008046.db2.gz TUVVCSPPLOVMKX-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO CC[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286447137 288008047 /nfs/dbraw/zinc/00/80/47/288008047.db2.gz TUVVCSPPLOVMKX-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287004375 288135399 /nfs/dbraw/zinc/13/53/99/288135399.db2.gz IWFDIBDODIDQQZ-UHFFFAOYSA-N 1 2 344.375 1.871 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291758761 289172894 /nfs/dbraw/zinc/17/28/94/289172894.db2.gz KZUFEPQQOSQMET-QWRGUYRKSA-N 1 2 343.330 1.871 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291758761 289172896 /nfs/dbraw/zinc/17/28/96/289172896.db2.gz KZUFEPQQOSQMET-QWRGUYRKSA-N 1 2 343.330 1.871 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000330640233 295191731 /nfs/dbraw/zinc/19/17/31/295191731.db2.gz PZTCUJJCHFMLJH-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000330640233 295191733 /nfs/dbraw/zinc/19/17/33/295191733.db2.gz PZTCUJJCHFMLJH-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000192635523 295286589 /nfs/dbraw/zinc/28/65/89/295286589.db2.gz KTEKNCUJDPLMGP-LBPRGKRZSA-N 1 2 335.360 1.150 20 5 EDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000420466544 304761952 /nfs/dbraw/zinc/76/19/52/304761952.db2.gz MLVQSCPTMWEZPE-JTQLQIEISA-N 1 2 349.359 1.426 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000162014802 302929735 /nfs/dbraw/zinc/92/97/35/302929735.db2.gz VRDRJHJZTMVPRZ-LLVKDONJSA-N 1 2 347.375 1.796 20 5 EDBDLO C[C@H](O)CNc1cc(NCCNc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000294518367 303118838 /nfs/dbraw/zinc/11/88/38/303118838.db2.gz UKFKQQGMNQWRHT-NSHDSACASA-N 1 2 332.364 1.702 20 5 EDBDLO C[C@H](O)CNc1cc(NCCNc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000294518367 303118841 /nfs/dbraw/zinc/11/88/41/303118841.db2.gz UKFKQQGMNQWRHT-NSHDSACASA-N 1 2 332.364 1.702 20 5 EDBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000295337882 303206443 /nfs/dbraw/zinc/20/64/43/303206443.db2.gz MUSWCFDAVARQAQ-SNVBAGLBSA-N 1 2 349.303 1.559 20 5 EDBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)o1 ZINC000295337882 303206444 /nfs/dbraw/zinc/20/64/44/303206444.db2.gz MUSWCFDAVARQAQ-SNVBAGLBSA-N 1 2 349.303 1.559 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](CNc4cccc[nH+]4)C3)nn21 ZINC000301854464 303699798 /nfs/dbraw/zinc/69/97/98/303699798.db2.gz YHMZECOMKYDQBI-LBPRGKRZSA-N 1 2 339.359 1.971 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000302113910 303712983 /nfs/dbraw/zinc/71/29/83/303712983.db2.gz VLCUJTXPQCVDBP-RYUDHWBXSA-N 1 2 337.376 1.903 20 5 EDBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000431598214 305080446 /nfs/dbraw/zinc/08/04/46/305080446.db2.gz BLWMYIMHUMVPOL-UHFFFAOYSA-N 1 2 337.357 1.785 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000432906481 305097510 /nfs/dbraw/zinc/09/75/10/305097510.db2.gz WWBXIZSDSUVHFW-BBRMVZONSA-N 1 2 344.371 1.907 20 5 EDBDLO C[C@@H]1COCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809703 305286075 /nfs/dbraw/zinc/28/60/75/305286075.db2.gz CARSETBUOJHXKH-AWEZNQCLSA-N 1 2 335.404 1.900 20 5 EDBDLO CC[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000447816678 305286284 /nfs/dbraw/zinc/28/62/84/305286284.db2.gz MGCWGFFNAZTBRN-YOEHRIQHSA-N 1 2 335.404 1.634 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449569586 305313941 /nfs/dbraw/zinc/31/39/41/305313941.db2.gz COHLCJPWFWGOHC-ZWNOBZJWSA-N 1 2 348.302 1.396 20 5 EDBDLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449569586 305313942 /nfs/dbraw/zinc/31/39/42/305313942.db2.gz COHLCJPWFWGOHC-ZWNOBZJWSA-N 1 2 348.302 1.396 20 5 EDBDLO O=C(N[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159509 305326415 /nfs/dbraw/zinc/32/64/15/305326415.db2.gz CXMULJANKKCMRD-IUODEOHRSA-N 1 2 330.344 1.814 20 5 EDBDLO CC(C)OC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456712827 305471153 /nfs/dbraw/zinc/47/11/53/305471153.db2.gz WGUDLUJOLNIKEZ-NSHDSACASA-N 1 2 346.343 1.850 20 5 EDBDLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000493656440 305621392 /nfs/dbraw/zinc/62/13/92/305621392.db2.gz HUBUSOLVDRZMLC-SNAWJCMRSA-N 1 2 327.344 1.680 20 5 EDBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505627650 305694385 /nfs/dbraw/zinc/69/43/85/305694385.db2.gz BEGKAQQKWYAGGV-ZDUSSCGKSA-N 1 2 347.419 1.559 20 5 EDBDLO COc1ccc(CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000533727752 306002680 /nfs/dbraw/zinc/00/26/80/306002680.db2.gz FEDZMJXJFFJUEF-ZDUSSCGKSA-N 1 2 344.371 1.896 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000541126111 306044127 /nfs/dbraw/zinc/04/41/27/306044127.db2.gz AHNIVWQOQDEQQX-UHFFFAOYSA-N 1 2 326.309 1.176 20 5 EDBDLO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000542615384 306055131 /nfs/dbraw/zinc/05/51/31/306055131.db2.gz DAIUPZQCDGJNKR-SECBINFHSA-N 1 2 349.347 1.974 20 5 EDBDLO COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000449941469 447416586 /nfs/dbraw/zinc/41/65/86/447416586.db2.gz WFOIOLLFASAHKM-CYBMUJFWSA-N 1 2 346.343 1.268 20 5 EDBDLO C[C@H]1CCC[N@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000047146550 441159385 /nfs/dbraw/zinc/15/93/85/441159385.db2.gz YGWUFWFVNRWSQS-NSHDSACASA-N 1 2 331.376 1.933 20 5 EDBDLO C[C@H]1CCC[N@@H+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000047146550 441159389 /nfs/dbraw/zinc/15/93/89/441159389.db2.gz YGWUFWFVNRWSQS-NSHDSACASA-N 1 2 331.376 1.933 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072832818 441266636 /nfs/dbraw/zinc/26/66/36/441266636.db2.gz UOEAWNWMBPUHSZ-KRWDZBQOSA-N 1 2 346.387 1.444 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072832818 441266642 /nfs/dbraw/zinc/26/66/42/441266642.db2.gz UOEAWNWMBPUHSZ-KRWDZBQOSA-N 1 2 346.387 1.444 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000106856634 441379398 /nfs/dbraw/zinc/37/93/98/441379398.db2.gz TXYUNVKTOHWKME-GFCCVEGCSA-N 1 2 339.396 1.965 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000106856634 441379400 /nfs/dbraw/zinc/37/94/00/441379400.db2.gz TXYUNVKTOHWKME-GFCCVEGCSA-N 1 2 339.396 1.965 20 5 EDBDLO COCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000052940367 441488694 /nfs/dbraw/zinc/48/86/94/441488694.db2.gz BSELCZURIDKSGQ-UHFFFAOYSA-N 1 2 337.332 1.373 20 5 EDBDLO COCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000052940367 441488696 /nfs/dbraw/zinc/48/86/96/441488696.db2.gz BSELCZURIDKSGQ-UHFFFAOYSA-N 1 2 337.332 1.373 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000065895456 441491795 /nfs/dbraw/zinc/49/17/95/441491795.db2.gz LXUPHFHEDNJSIC-UHFFFAOYSA-N 1 2 328.332 1.372 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000090633104 441640078 /nfs/dbraw/zinc/64/00/78/441640078.db2.gz SHFYLHRXGVUZHL-INIZCTEOSA-N 1 2 346.362 1.985 20 5 EDBDLO Cc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000091897373 441750408 /nfs/dbraw/zinc/75/04/08/441750408.db2.gz FATJVHYFHPKNCF-CQSZACIVSA-N 1 2 341.433 1.805 20 5 EDBDLO Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000091897373 441750414 /nfs/dbraw/zinc/75/04/14/441750414.db2.gz FATJVHYFHPKNCF-CQSZACIVSA-N 1 2 341.433 1.805 20 5 EDBDLO Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000091897369 441750784 /nfs/dbraw/zinc/75/07/84/441750784.db2.gz FATJVHYFHPKNCF-AWEZNQCLSA-N 1 2 341.433 1.805 20 5 EDBDLO Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000091897369 441750791 /nfs/dbraw/zinc/75/07/91/441750791.db2.gz FATJVHYFHPKNCF-AWEZNQCLSA-N 1 2 341.433 1.805 20 5 EDBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173633126 441810471 /nfs/dbraw/zinc/81/04/71/441810471.db2.gz VZOQNVOMSIZXNT-LLVKDONJSA-N 1 2 344.375 1.639 20 5 EDBDLO CCc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092827958 441831997 /nfs/dbraw/zinc/83/19/97/441831997.db2.gz IWTKGLLAGBYHAD-CYBMUJFWSA-N 1 2 325.413 1.659 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174298510 441910236 /nfs/dbraw/zinc/91/02/36/441910236.db2.gz SSZQKSQFZYCQHW-NXEZZACHSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174298510 441910237 /nfs/dbraw/zinc/91/02/37/441910237.db2.gz SSZQKSQFZYCQHW-NXEZZACHSA-N 1 2 327.406 1.492 20 5 EDBDLO CCOC(=O)c1cc(N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000124785032 441952725 /nfs/dbraw/zinc/95/27/25/441952725.db2.gz UYNRGTQHQLRGGS-UHFFFAOYSA-N 1 2 337.376 1.540 20 5 EDBDLO COc1ccc(NC(=O)CN(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000161942934 442047526 /nfs/dbraw/zinc/04/75/26/442047526.db2.gz DIKXYUOBVAFCGO-UHFFFAOYSA-N 1 2 333.348 1.407 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126301367 442096747 /nfs/dbraw/zinc/09/67/47/442096747.db2.gz IGRCJWAETBTVHP-QVQLBTGDSA-N 1 2 339.417 1.183 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126301367 442096751 /nfs/dbraw/zinc/09/67/51/442096751.db2.gz IGRCJWAETBTVHP-QVQLBTGDSA-N 1 2 339.417 1.183 20 5 EDBDLO Cc1c(CC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000120955097 442156489 /nfs/dbraw/zinc/15/64/89/442156489.db2.gz RZLUZFFQWHWNEY-KBPBESRZSA-N 1 2 335.404 1.671 20 5 EDBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000128584157 442276562 /nfs/dbraw/zinc/27/65/62/442276562.db2.gz OASGBQASIRKUNH-LLVKDONJSA-N 1 2 345.396 1.744 20 5 EDBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000128584157 442276564 /nfs/dbraw/zinc/27/65/64/442276564.db2.gz OASGBQASIRKUNH-LLVKDONJSA-N 1 2 345.396 1.744 20 5 EDBDLO O=C1NCCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177016049 442285689 /nfs/dbraw/zinc/28/56/89/442285689.db2.gz FVNOMCVSJYWRCG-UHFFFAOYSA-N 1 2 345.359 1.726 20 5 EDBDLO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000171649751 442366322 /nfs/dbraw/zinc/36/63/22/442366322.db2.gz LMSUPLVEKKXWTM-OLZOCXBDSA-N 1 2 336.392 1.503 20 5 EDBDLO CC[N@H+](CC(N)=O)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000191703884 442492750 /nfs/dbraw/zinc/49/27/50/442492750.db2.gz GHCMSKSGNBFEHK-UHFFFAOYSA-N 1 2 347.318 1.555 20 5 EDBDLO CC[N@@H+](CC(N)=O)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000191703884 442492756 /nfs/dbraw/zinc/49/27/56/442492756.db2.gz GHCMSKSGNBFEHK-UHFFFAOYSA-N 1 2 347.318 1.555 20 5 EDBDLO CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191547781 442462244 /nfs/dbraw/zinc/46/22/44/442462244.db2.gz ZUWMIFPYVACWRS-NSHDSACASA-N 1 2 345.359 1.377 20 5 EDBDLO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000186331020 442512490 /nfs/dbraw/zinc/51/24/90/442512490.db2.gz UIYYNYNPDWDRKJ-UHFFFAOYSA-N 1 2 339.392 1.810 20 5 EDBDLO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000186331020 442512496 /nfs/dbraw/zinc/51/24/96/442512496.db2.gz UIYYNYNPDWDRKJ-UHFFFAOYSA-N 1 2 339.392 1.810 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186651842 442583105 /nfs/dbraw/zinc/58/31/05/442583105.db2.gz UJNYXAREYXBJLH-NHYWBVRUSA-N 1 2 330.344 1.623 20 5 EDBDLO CSc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000192686698 442676988 /nfs/dbraw/zinc/67/69/88/442676988.db2.gz MNAZVQVXQLWGEA-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO Cc1cc(C(=O)NCC(=O)NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000193168764 442719123 /nfs/dbraw/zinc/71/91/23/442719123.db2.gz LNZZEXUBWWIQEF-UHFFFAOYSA-N 1 2 345.359 1.036 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000182217775 442746501 /nfs/dbraw/zinc/74/65/01/442746501.db2.gz OJDGFSQQBSAEFW-KBPBESRZSA-N 1 2 346.387 1.937 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000182217775 442746504 /nfs/dbraw/zinc/74/65/04/442746504.db2.gz OJDGFSQQBSAEFW-KBPBESRZSA-N 1 2 346.387 1.937 20 5 EDBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000182416914 442765809 /nfs/dbraw/zinc/76/58/09/442765809.db2.gz VQFPOXVPKCLCCM-UHFFFAOYSA-N 1 2 338.389 1.926 20 5 EDBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000188893980 442836845 /nfs/dbraw/zinc/83/68/45/442836845.db2.gz ZCAMSVYFUPFXHO-UHFFFAOYSA-N 1 2 349.778 1.759 20 5 EDBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000188893980 442836848 /nfs/dbraw/zinc/83/68/48/442836848.db2.gz ZCAMSVYFUPFXHO-UHFFFAOYSA-N 1 2 349.778 1.759 20 5 EDBDLO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249537495 442983513 /nfs/dbraw/zinc/98/35/13/442983513.db2.gz CXDRHTRANFJHOU-BXUZGUMPSA-N 1 2 334.376 1.143 20 5 EDBDLO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249537495 442983517 /nfs/dbraw/zinc/98/35/17/442983517.db2.gz CXDRHTRANFJHOU-BXUZGUMPSA-N 1 2 334.376 1.143 20 5 EDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)c1C ZINC000184017772 442984037 /nfs/dbraw/zinc/98/40/37/442984037.db2.gz FYXAJDWIKDIQLH-UHFFFAOYSA-N 1 2 345.359 1.865 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C(N)=O)C1 ZINC000249536663 442984136 /nfs/dbraw/zinc/98/41/36/442984136.db2.gz CPSGYQPQXBFNOK-XHDPSFHLSA-N 1 2 346.387 1.070 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C(N)=O)C1 ZINC000249536663 442984141 /nfs/dbraw/zinc/98/41/41/442984141.db2.gz CPSGYQPQXBFNOK-XHDPSFHLSA-N 1 2 346.387 1.070 20 5 EDBDLO C[C@@H](c1nccs1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000184669855 443056906 /nfs/dbraw/zinc/05/69/06/443056906.db2.gz HPAITZDHWGFXEO-LBPRGKRZSA-N 1 2 336.421 1.627 20 5 EDBDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000268945144 443155606 /nfs/dbraw/zinc/15/56/06/443155606.db2.gz BDCZIAJKHGNHOU-UONOGXRCSA-N 1 2 337.401 1.740 20 5 EDBDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000268945144 443155611 /nfs/dbraw/zinc/15/56/11/443155611.db2.gz BDCZIAJKHGNHOU-UONOGXRCSA-N 1 2 337.401 1.740 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191137595 443247013 /nfs/dbraw/zinc/24/70/13/443247013.db2.gz QJBQXAAEDQIMSN-LLVKDONJSA-N 1 2 345.359 1.870 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191137595 443247017 /nfs/dbraw/zinc/24/70/17/443247017.db2.gz QJBQXAAEDQIMSN-LLVKDONJSA-N 1 2 345.359 1.870 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267228932 443386182 /nfs/dbraw/zinc/38/61/82/443386182.db2.gz FJDPUUYKLZIYFU-UHFFFAOYSA-N 1 2 335.364 1.008 20 5 EDBDLO C[N@H+](CCOCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282539910 443368182 /nfs/dbraw/zinc/36/81/82/443368182.db2.gz QYFUMXTYTAAXBE-UHFFFAOYSA-N 1 2 331.756 1.127 20 5 EDBDLO C[N@@H+](CCOCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282539910 443368187 /nfs/dbraw/zinc/36/81/87/443368187.db2.gz QYFUMXTYTAAXBE-UHFFFAOYSA-N 1 2 331.756 1.127 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000267509829 443480567 /nfs/dbraw/zinc/48/05/67/443480567.db2.gz BJEDDZONVCTBNS-GFCCVEGCSA-N 1 2 329.784 1.378 20 5 EDBDLO CNC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267513236 443481657 /nfs/dbraw/zinc/48/16/57/443481657.db2.gz CLQKOAFTFIUXDT-LRDDRELGSA-N 1 2 348.403 1.111 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000264858244 443456401 /nfs/dbraw/zinc/45/64/01/443456401.db2.gz NQLIIAOAXUJPAC-UHFFFAOYSA-N 1 2 345.446 1.230 20 5 EDBDLO CC[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273127655 443543900 /nfs/dbraw/zinc/54/39/00/443543900.db2.gz IFJBSDCPIKSPRF-FZMZJTMJSA-N 1 2 328.390 1.071 20 5 EDBDLO CC[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273127655 443543904 /nfs/dbraw/zinc/54/39/04/443543904.db2.gz IFJBSDCPIKSPRF-FZMZJTMJSA-N 1 2 328.390 1.071 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000272331404 443594467 /nfs/dbraw/zinc/59/44/67/443594467.db2.gz MQTHYXGWLDWESU-CYBMUJFWSA-N 1 2 334.420 1.846 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000272331404 443594471 /nfs/dbraw/zinc/59/44/71/443594471.db2.gz MQTHYXGWLDWESU-CYBMUJFWSA-N 1 2 334.420 1.846 20 5 EDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000265332425 443608698 /nfs/dbraw/zinc/60/86/98/443608698.db2.gz UCOQGBXWEPLWIU-LBPRGKRZSA-N 1 2 329.360 1.837 20 5 EDBDLO CCN(CCC(=O)OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448755647 320156798 /nfs/dbraw/zinc/15/67/98/320156798.db2.gz GLSKUFASRJPKAA-UHFFFAOYSA-N 1 2 346.343 1.806 20 5 EDBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ncccc1[N+](=O)[O-] ZINC000281493726 443927060 /nfs/dbraw/zinc/92/70/60/443927060.db2.gz OGKXHPIPUQILRT-JSGCOSHPSA-N 1 2 348.382 1.772 20 5 EDBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ncccc1[N+](=O)[O-] ZINC000281493726 443927065 /nfs/dbraw/zinc/92/70/65/443927065.db2.gz OGKXHPIPUQILRT-JSGCOSHPSA-N 1 2 348.382 1.772 20 5 EDBDLO CC(C)(CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000299337474 444021911 /nfs/dbraw/zinc/02/19/11/444021911.db2.gz IWNQDNNVWODULP-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000299508323 444065858 /nfs/dbraw/zinc/06/58/58/444065858.db2.gz JFGWYZFIARTBIU-UHFFFAOYSA-N 1 2 336.373 1.817 20 5 EDBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](OC)C1 ZINC000567617671 321248800 /nfs/dbraw/zinc/24/88/00/321248800.db2.gz QQWUAGGKIQVNML-IACUBPJLSA-N 1 2 340.380 1.128 20 5 EDBDLO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 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1.919 20 5 EDBDLO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1[nH]cc[nH+]1 ZINC000577131982 448217379 /nfs/dbraw/zinc/21/73/79/448217379.db2.gz UAHZRVXSOQPULE-SECBINFHSA-N 1 2 327.304 1.390 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)nc1 ZINC000591151233 448273938 /nfs/dbraw/zinc/27/39/38/448273938.db2.gz YSDGDWQGGWLMPV-JTQLQIEISA-N 1 2 343.347 1.275 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3[nH+]cnc4c3OCCN4)C2)nc1 ZINC000591151233 448273944 /nfs/dbraw/zinc/27/39/44/448273944.db2.gz YSDGDWQGGWLMPV-JTQLQIEISA-N 1 2 343.347 1.275 20 5 EDBDLO CS(=O)(=O)N1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000572771501 448460768 /nfs/dbraw/zinc/46/07/68/448460768.db2.gz KDFMJNSXXHGVCG-LLVKDONJSA-N 1 2 336.373 1.589 20 5 EDBDLO CNc1nccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000584301053 448478195 /nfs/dbraw/zinc/47/81/95/448478195.db2.gz IQIRIONIFDBOAZ-GFCCVEGCSA-N 1 2 344.375 1.988 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000591757975 448484176 /nfs/dbraw/zinc/48/41/76/448484176.db2.gz ZOZGCUZNDPRCCC-NSHDSACASA-N 1 2 334.332 1.385 20 5 EDBDLO COCCC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000591785592 448491532 /nfs/dbraw/zinc/49/15/32/448491532.db2.gz JQBHBZXYPQOUGT-UHFFFAOYSA-N 1 2 330.344 1.889 20 5 EDBDLO COC(=O)[C@](C)([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000535764012 448504863 /nfs/dbraw/zinc/50/48/63/448504863.db2.gz KVULZPCYUWSUGM-MRXNPFEDSA-N 1 2 338.360 1.914 20 5 EDBDLO O=[N+]([O-])c1cnc(NCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000566717605 448543406 /nfs/dbraw/zinc/54/34/06/448543406.db2.gz RWNCMBKDESYABV-UHFFFAOYSA-N 1 2 333.417 2.285 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000592207782 448746424 /nfs/dbraw/zinc/74/64/24/448746424.db2.gz QPERAMXQDTZXNT-WDEREUQCSA-N 1 2 342.323 1.098 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000592207782 448746428 /nfs/dbraw/zinc/74/64/28/448746428.db2.gz QPERAMXQDTZXNT-WDEREUQCSA-N 1 2 342.323 1.098 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc([N+](=O)[O-])c1C ZINC000587051818 448832833 /nfs/dbraw/zinc/83/28/33/448832833.db2.gz YKHOLCBZAFBTOR-LBPRGKRZSA-N 1 2 330.344 1.853 20 5 EDBDLO Cc1nc(N)c(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000580775519 448957751 /nfs/dbraw/zinc/95/77/51/448957751.db2.gz GIQDVMVZDGJCBJ-UONOGXRCSA-N 1 2 327.344 1.695 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000593022947 449105352 /nfs/dbraw/zinc/10/53/52/449105352.db2.gz LFDLOSJYOOLJDY-MLMJSJRWSA-N 1 2 328.390 1.580 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000593022947 449105358 /nfs/dbraw/zinc/10/53/58/449105358.db2.gz LFDLOSJYOOLJDY-MLMJSJRWSA-N 1 2 328.390 1.580 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083949 449162691 /nfs/dbraw/zinc/16/26/91/449162691.db2.gz UGZNSJQQQRUHLC-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083949 449162701 /nfs/dbraw/zinc/16/27/01/449162701.db2.gz UGZNSJQQQRUHLC-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756060 449149684 /nfs/dbraw/zinc/14/96/84/449149684.db2.gz DECQGALWDLAHJK-XMZIXOGTSA-N 1 2 335.360 1.387 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756060 449149687 /nfs/dbraw/zinc/14/96/87/449149687.db2.gz DECQGALWDLAHJK-XMZIXOGTSA-N 1 2 335.360 1.387 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000597997089 449182832 /nfs/dbraw/zinc/18/28/32/449182832.db2.gz LBDPYAHERLLBTL-QWRGUYRKSA-N 1 2 347.375 1.310 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000597997089 449182838 /nfs/dbraw/zinc/18/28/38/449182838.db2.gz LBDPYAHERLLBTL-QWRGUYRKSA-N 1 2 347.375 1.310 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611256861 449240105 /nfs/dbraw/zinc/24/01/05/449240105.db2.gz VMKPNGDYWOPYBH-WDEREUQCSA-N 1 2 327.406 1.527 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611256861 449240108 /nfs/dbraw/zinc/24/01/08/449240108.db2.gz VMKPNGDYWOPYBH-WDEREUQCSA-N 1 2 327.406 1.527 20 5 EDBDLO CN(C)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000590781097 449290907 /nfs/dbraw/zinc/29/09/07/449290907.db2.gz HRQYSORDSVKBAR-UHFFFAOYSA-N 1 2 342.403 1.773 20 5 EDBDLO COc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000611516365 449319107 /nfs/dbraw/zinc/31/91/07/449319107.db2.gz UOYLHXXKRGJZPZ-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO COc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000611516365 449319111 /nfs/dbraw/zinc/31/91/11/449319111.db2.gz UOYLHXXKRGJZPZ-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1=O ZINC000598296403 449342454 /nfs/dbraw/zinc/34/24/54/449342454.db2.gz PTRCFQWEZJIADD-UHFFFAOYSA-N 1 2 343.343 1.085 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000593561630 449350883 /nfs/dbraw/zinc/35/08/83/449350883.db2.gz ZFNNURNRDLHYTB-JTQLQIEISA-N 1 2 337.361 1.281 20 5 EDBDLO Cc1c[nH+]ccc1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598605539 449488074 /nfs/dbraw/zinc/48/80/74/449488074.db2.gz BHDIVHLNASGNKV-UHFFFAOYSA-N 1 2 344.375 1.579 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608427 449490762 /nfs/dbraw/zinc/49/07/62/449490762.db2.gz SMPXBDLHQSZYON-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608427 449490765 /nfs/dbraw/zinc/49/07/65/449490765.db2.gz SMPXBDLHQSZYON-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000596516071 449537261 /nfs/dbraw/zinc/53/72/61/449537261.db2.gz COCNZCJJVVFQGA-LLVKDONJSA-N 1 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CCOCCOC[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599078602 449719838 /nfs/dbraw/zinc/71/98/38/449719838.db2.gz IYBDPSIGYWXWER-ZDUSSCGKSA-N 1 2 335.360 1.969 20 5 EDBDLO COC(=O)c1ccnc(NC2CC([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000599095010 449728899 /nfs/dbraw/zinc/72/88/99/449728899.db2.gz OITOUMDAEXGLHV-UHFFFAOYSA-N 1 2 336.348 1.052 20 5 EDBDLO CNC(=O)NC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599127031 449749684 /nfs/dbraw/zinc/74/96/84/449749684.db2.gz CQFDIKVLJRNSSK-GFCCVEGCSA-N 1 2 345.359 1.277 20 5 EDBDLO Cn1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])n1 ZINC000602692141 449752108 /nfs/dbraw/zinc/75/21/08/449752108.db2.gz VTIULSLYUUNEGB-QGZVFWFLSA-N 1 2 342.355 1.938 20 5 EDBDLO Cn1cc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])n1 ZINC000602692141 449752111 /nfs/dbraw/zinc/75/21/11/449752111.db2.gz VTIULSLYUUNEGB-QGZVFWFLSA-N 1 2 342.355 1.938 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602941308 449943773 /nfs/dbraw/zinc/94/37/73/449943773.db2.gz JHKMKWXIFMJQPO-UHFFFAOYSA-N 1 2 346.391 1.363 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601385638 449901316 /nfs/dbraw/zinc/90/13/16/449901316.db2.gz QYJKIOOHFOFTEU-NXEZZACHSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601385638 449901320 /nfs/dbraw/zinc/90/13/20/449901320.db2.gz QYJKIOOHFOFTEU-NXEZZACHSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602907238 449912008 /nfs/dbraw/zinc/91/20/08/449912008.db2.gz LMIWSBQSBFUJEA-DZGCQCFKSA-N 1 2 331.376 1.957 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602907238 449912012 /nfs/dbraw/zinc/91/20/12/449912012.db2.gz LMIWSBQSBFUJEA-DZGCQCFKSA-N 1 2 331.376 1.957 20 5 EDBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609143851 449968382 /nfs/dbraw/zinc/96/83/82/449968382.db2.gz 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CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2F)CC1 ZINC000829554715 594638387 /nfs/dbraw/zinc/63/83/87/594638387.db2.gz DPMRWTVNFGDITN-IUODEOHRSA-N 1 2 336.367 1.571 20 5 EDBDLO C[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000827309107 594660005 /nfs/dbraw/zinc/66/00/05/594660005.db2.gz AHDUHSFCSGDTJQ-LBPRGKRZSA-N 1 2 327.406 1.150 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000827481830 594676290 /nfs/dbraw/zinc/67/62/90/594676290.db2.gz PYNMEVXQWZTLDY-UHFFFAOYSA-N 1 2 341.795 1.961 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c32)c1C ZINC000831739041 594698113 /nfs/dbraw/zinc/69/81/13/594698113.db2.gz PMNQYGGBYIYJKS-LLVKDONJSA-N 1 2 336.373 1.831 20 5 EDBDLO CC(=O)N1CC(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000836040046 594914069 /nfs/dbraw/zinc/91/40/69/594914069.db2.gz JYOWYEXFWNKJSX-UHFFFAOYSA-N 1 2 330.300 1.168 20 5 EDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000836949134 595016937 /nfs/dbraw/zinc/01/69/37/595016937.db2.gz JSZYSXDSFZLWQW-NSHDSACASA-N 1 2 346.343 1.880 20 5 EDBDLO O=C(N1CCn2c[nH+]cc2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848589401 595410860 /nfs/dbraw/zinc/41/08/60/595410860.db2.gz KBEGOKMQFQAIIR-UHFFFAOYSA-N 1 2 338.270 1.805 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860160301 595600437 /nfs/dbraw/zinc/60/04/37/595600437.db2.gz PJXNUXWWZMQGKW-ZYHUDNBSSA-N 1 2 349.343 1.037 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860160301 595600441 /nfs/dbraw/zinc/60/04/41/595600441.db2.gz PJXNUXWWZMQGKW-ZYHUDNBSSA-N 1 2 349.343 1.037 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855410161 595699496 /nfs/dbraw/zinc/69/94/96/595699496.db2.gz HZMBNAOZIRBBCD-MNOVXSKESA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855410161 595699498 /nfs/dbraw/zinc/69/94/98/595699498.db2.gz HZMBNAOZIRBBCD-MNOVXSKESA-N 1 2 325.340 1.573 20 5 EDBDLO Cc1cn2c([nH+]1)CN(Cn1cc([N+](=O)[O-])c(-c3ccccn3)n1)CC2 ZINC000853507194 595773952 /nfs/dbraw/zinc/77/39/52/595773952.db2.gz VOMRCBZQLFWSNF-UHFFFAOYSA-N 1 2 339.359 1.832 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858420877 595790711 /nfs/dbraw/zinc/79/07/11/595790711.db2.gz JWZKZPKKARPOKD-DEOSSOPVSA-N 1 2 348.428 1.644 20 5 EDBDLO CS(=O)(=O)CCOCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000858423452 595791557 /nfs/dbraw/zinc/79/15/57/595791557.db2.gz HLEYSYFETSXKPY-UHFFFAOYSA-N 1 2 339.373 1.616 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000858686403 595865050 /nfs/dbraw/zinc/86/50/50/595865050.db2.gz CLTUFZYKTBWJMA-MRXNPFEDSA-N 1 2 336.392 1.205 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000858686403 595865054 /nfs/dbraw/zinc/86/50/54/595865054.db2.gz CLTUFZYKTBWJMA-MRXNPFEDSA-N 1 2 336.392 1.205 20 5 EDBDLO Cc1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1[N+](=O)[O-] ZINC000851992839 596000092 /nfs/dbraw/zinc/00/00/92/596000092.db2.gz JSTGHKOAGBYLCX-UHFFFAOYSA-N 1 2 336.308 1.833 20 5 EDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861938919 596156396 /nfs/dbraw/zinc/15/63/96/596156396.db2.gz QKEHMNWMZCVOQX-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861938919 596156398 /nfs/dbraw/zinc/15/63/98/596156398.db2.gz QKEHMNWMZCVOQX-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO COC(=O)N(C)CC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000852570050 596200377 /nfs/dbraw/zinc/20/03/77/596200377.db2.gz TXJSZQZDHQYFBP-UHFFFAOYSA-N 1 2 329.328 1.873 20 5 EDBDLO COC(=O)N(C)CC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000852570050 596200380 /nfs/dbraw/zinc/20/03/80/596200380.db2.gz TXJSZQZDHQYFBP-UHFFFAOYSA-N 1 2 329.328 1.873 20 5 EDBDLO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000854895456 596225897 /nfs/dbraw/zinc/22/58/97/596225897.db2.gz ACTRZRILXIFAJR-NSHDSACASA-N 1 2 341.795 1.695 20 5 EDBDLO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000854895456 596225899 /nfs/dbraw/zinc/22/58/99/596225899.db2.gz ACTRZRILXIFAJR-NSHDSACASA-N 1 2 341.795 1.695 20 5 EDBDLO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000865817074 596695590 /nfs/dbraw/zinc/69/55/90/596695590.db2.gz XXWCEUOWZUXGCT-LBPRGKRZSA-N 1 2 338.383 1.029 20 5 EDBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877793586 597557950 /nfs/dbraw/zinc/55/79/50/597557950.db2.gz OZEBCPGQDKPJIR-SZWGIHMLSA-N 1 2 336.413 1.975 20 5 EDBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877793586 597557951 /nfs/dbraw/zinc/55/79/51/597557951.db2.gz OZEBCPGQDKPJIR-SZWGIHMLSA-N 1 2 336.413 1.975 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000917158772 696957673 /nfs/dbraw/zinc/95/76/73/696957673.db2.gz UIAYEKSTWYYXMH-SECBINFHSA-N 1 2 341.751 1.682 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000917158772 696957676 /nfs/dbraw/zinc/95/76/76/696957676.db2.gz UIAYEKSTWYYXMH-SECBINFHSA-N 1 2 341.751 1.682 20 5 EDBDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)on1 ZINC001031538772 697222955 /nfs/dbraw/zinc/22/29/55/697222955.db2.gz GVCFYHAXAIAMLE-UHFFFAOYSA-N 1 2 330.344 1.753 20 5 EDBDLO O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002781619 709386998 /nfs/dbraw/zinc/38/69/98/709386998.db2.gz GCZANRPNIZBVLY-HUUCEWRRSA-N 1 2 339.342 1.711 20 5 EDBDLO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)on1 ZINC001034816963 711199877 /nfs/dbraw/zinc/19/98/77/711199877.db2.gz XFMFILXZHZVLOO-HZPDHXFCSA-N 1 2 344.371 1.554 20 5 EDBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000125682840 222594195 /nfs/dbraw/zinc/59/41/95/222594195.db2.gz CZETVDMVRPEXDX-GWCFXTLKSA-N 1 2 331.332 1.615 20 5 EDBDLO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000174490551 231222465 /nfs/dbraw/zinc/22/24/65/231222465.db2.gz UJUOWMFQTPRCNE-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000558827603 306247335 /nfs/dbraw/zinc/24/73/35/306247335.db2.gz CXLCZYXGXCYRQZ-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000558827603 306247336 /nfs/dbraw/zinc/24/73/36/306247336.db2.gz CXLCZYXGXCYRQZ-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO Cc1c(CC(=O)NCC[N@@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000178675043 232362815 /nfs/dbraw/zinc/36/28/15/232362815.db2.gz PAQQFLJGHSJVDQ-UHFFFAOYSA-N 1 2 335.404 1.673 20 5 EDBDLO Cc1c(CC(=O)NCC[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000178675043 232362817 /nfs/dbraw/zinc/36/28/17/232362817.db2.gz PAQQFLJGHSJVDQ-UHFFFAOYSA-N 1 2 335.404 1.673 20 5 EDBDLO Cc1c(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000181598654 234248372 /nfs/dbraw/zinc/24/83/72/234248372.db2.gz DAQIZUGQVCKLAZ-NSHDSACASA-N 1 2 327.406 1.369 20 5 EDBDLO Cc1c(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000181598654 234248375 /nfs/dbraw/zinc/24/83/75/234248375.db2.gz DAQIZUGQVCKLAZ-NSHDSACASA-N 1 2 327.406 1.369 20 5 EDBDLO COc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000091212599 138282823 /nfs/dbraw/zinc/28/28/23/138282823.db2.gz KFPIKWSKOUJVEO-UHFFFAOYSA-N 1 2 340.361 1.169 20 5 EDBDLO Cc1cc(OC[C@H](O)C[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000414120051 304101175 /nfs/dbraw/zinc/10/11/75/304101175.db2.gz AJIIPFKGZFRKKZ-GFCCVEGCSA-N 1 2 343.811 1.544 20 5 EDBDLO Cc1cc(N2CC[NH+](CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000235841826 139026329 /nfs/dbraw/zinc/02/63/29/139026329.db2.gz CCORNLVACXWGKY-UHFFFAOYSA-N 1 2 344.209 1.780 20 5 EDBDLO COc1cccc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000424191561 252158484 /nfs/dbraw/zinc/15/84/84/252158484.db2.gz NYUXODWAJYKWDP-VIFPVBQESA-N 1 2 329.303 1.578 20 5 EDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153605562 224129421 /nfs/dbraw/zinc/12/94/21/224129421.db2.gz LNBIQHQRZQIYTF-SNVBAGLBSA-N 1 2 333.304 1.766 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccnn1C ZINC000459781636 255000656 /nfs/dbraw/zinc/00/06/56/255000656.db2.gz ZGSGTMATVMJJLR-AWEZNQCLSA-N 1 2 334.376 1.939 20 5 EDBDLO Cc1c(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000490205645 255081143 /nfs/dbraw/zinc/08/11/43/255081143.db2.gz YFXZTAJVBTWQOT-OAHLLOKOSA-N 1 2 348.403 1.566 20 5 EDBDLO Cc1c(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000490205645 255081145 /nfs/dbraw/zinc/08/11/45/255081145.db2.gz YFXZTAJVBTWQOT-OAHLLOKOSA-N 1 2 348.403 1.566 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264188646 139385524 /nfs/dbraw/zinc/38/55/24/139385524.db2.gz OEYFOXKVWCHMOD-UHFFFAOYSA-N 1 2 344.375 1.360 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000347328516 533383119 /nfs/dbraw/zinc/38/31/19/533383119.db2.gz ATKAKSONZOWELN-UBWHZCOUSA-N 1 2 343.387 1.991 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000347328516 533383121 /nfs/dbraw/zinc/38/31/21/533383121.db2.gz ATKAKSONZOWELN-UBWHZCOUSA-N 1 2 343.387 1.991 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](O)CC1 ZINC000338838691 296503912 /nfs/dbraw/zinc/50/39/12/296503912.db2.gz XXUPMACNITUPLF-OAHLLOKOSA-N 1 2 335.404 1.778 20 5 EDBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416296078 304304211 /nfs/dbraw/zinc/30/42/11/304304211.db2.gz NIMZHQYYLMPDOU-NXEZZACHSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416296078 304304213 /nfs/dbraw/zinc/30/42/13/304304213.db2.gz NIMZHQYYLMPDOU-NXEZZACHSA-N 1 2 327.406 1.492 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000271075528 140231570 /nfs/dbraw/zinc/23/15/70/140231570.db2.gz ZKGFZEHFWTZRIC-UHFFFAOYSA-N 1 2 345.359 1.413 20 5 EDBDLO C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000332105669 141123984 /nfs/dbraw/zinc/12/39/84/141123984.db2.gz RSFIFQGKQKQZBJ-RYUDHWBXSA-N 1 2 339.417 1.982 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332381348 141172257 /nfs/dbraw/zinc/17/22/57/141172257.db2.gz OKLPMAYZAGGFAV-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332381348 141172259 /nfs/dbraw/zinc/17/22/59/141172259.db2.gz OKLPMAYZAGGFAV-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000572158205 306582344 /nfs/dbraw/zinc/58/23/44/306582344.db2.gz FLPUVQGVTZFRKP-LBPRGKRZSA-N 1 2 349.359 1.006 20 5 EDBDLO COc1cc(S(=O)(=O)N2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000332593011 141210404 /nfs/dbraw/zinc/21/04/04/141210404.db2.gz FXUAAOHKHRJVFT-UHFFFAOYSA-N 1 2 338.345 1.004 20 5 EDBDLO Cn1c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000337604716 141628262 /nfs/dbraw/zinc/62/82/62/141628262.db2.gz UNTZHLWTDFGBIG-ZDUSSCGKSA-N 1 2 332.335 1.859 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346640076 143224985 /nfs/dbraw/zinc/22/49/85/143224985.db2.gz KGSOHMVXZZVFOQ-RBOXIYTFSA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346640076 143224986 /nfs/dbraw/zinc/22/49/86/143224986.db2.gz KGSOHMVXZZVFOQ-RBOXIYTFSA-N 1 2 346.387 1.428 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)COc1ccccc1F)CC2 ZINC000347792336 143363841 /nfs/dbraw/zinc/36/38/41/143363841.db2.gz WZNKHQHYYNLFNC-CQSZACIVSA-N 1 2 347.346 1.927 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1F)CC2 ZINC000347792336 143363842 /nfs/dbraw/zinc/36/38/42/143363842.db2.gz WZNKHQHYYNLFNC-CQSZACIVSA-N 1 2 347.346 1.927 20 5 EDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000369922569 155234733 /nfs/dbraw/zinc/23/47/33/155234733.db2.gz FLJYOSBVESWTLL-GFCCVEGCSA-N 1 2 342.359 1.597 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000355077708 150106115 /nfs/dbraw/zinc/10/61/15/150106115.db2.gz ZLPRWPFFJYJAIE-UHFFFAOYSA-N 1 2 337.380 1.045 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000355077708 150106117 /nfs/dbraw/zinc/10/61/17/150106117.db2.gz ZLPRWPFFJYJAIE-UHFFFAOYSA-N 1 2 337.380 1.045 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355606045 150334204 /nfs/dbraw/zinc/33/42/04/150334204.db2.gz KQRXXAMQOYWGNJ-NWDGAFQWSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355606045 150334208 /nfs/dbraw/zinc/33/42/08/150334208.db2.gz KQRXXAMQOYWGNJ-NWDGAFQWSA-N 1 2 338.360 1.756 20 5 EDBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000360556426 152093574 /nfs/dbraw/zinc/09/35/74/152093574.db2.gz JRIGKPMJKPAWHC-UHFFFAOYSA-N 1 2 326.316 1.981 20 5 EDBDLO CCn1cc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000361356514 152370912 /nfs/dbraw/zinc/37/09/12/152370912.db2.gz NHQLJTYSAADNPZ-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO CCn1cc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000361356514 152370914 /nfs/dbraw/zinc/37/09/14/152370914.db2.gz NHQLJTYSAADNPZ-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC000363906921 153093002 /nfs/dbraw/zinc/09/30/02/153093002.db2.gz JZEAMZHQRTXWIW-LBPRGKRZSA-N 1 2 349.322 1.559 20 5 EDBDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC000363906921 153093003 /nfs/dbraw/zinc/09/30/03/153093003.db2.gz JZEAMZHQRTXWIW-LBPRGKRZSA-N 1 2 349.322 1.559 20 5 EDBDLO Cc1cc(C2=CC[N@H+]([C@@H](C)c3nnnn3C)CC2)cc([N+](=O)[O-])c1N ZINC000364067827 153137135 /nfs/dbraw/zinc/13/71/35/153137135.db2.gz ZIFABINKFRUBFT-NSHDSACASA-N 1 2 343.391 1.859 20 5 EDBDLO Cc1cc(C2=CC[N@@H+]([C@@H](C)c3nnnn3C)CC2)cc([N+](=O)[O-])c1N ZINC000364067827 153137140 /nfs/dbraw/zinc/13/71/40/153137140.db2.gz ZIFABINKFRUBFT-NSHDSACASA-N 1 2 343.391 1.859 20 5 EDBDLO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000369499316 155061260 /nfs/dbraw/zinc/06/12/60/155061260.db2.gz GIXUMJLOIFIYAT-NSHDSACASA-N 1 2 346.391 1.802 20 5 EDBDLO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000369499316 155061264 /nfs/dbraw/zinc/06/12/64/155061264.db2.gz GIXUMJLOIFIYAT-NSHDSACASA-N 1 2 346.391 1.802 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374373137 157264233 /nfs/dbraw/zinc/26/42/33/157264233.db2.gz QZBNLOAGILNNIN-MRXNPFEDSA-N 1 2 326.356 1.705 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408083872 158261943 /nfs/dbraw/zinc/26/19/43/158261943.db2.gz LCYCKTMEIZREHX-NEPJUHHUSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408083872 158261946 /nfs/dbraw/zinc/26/19/46/158261946.db2.gz LCYCKTMEIZREHX-NEPJUHHUSA-N 1 2 327.406 1.616 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408084024 158261983 /nfs/dbraw/zinc/26/19/83/158261983.db2.gz MDCLRYBPJGHAFC-NEPJUHHUSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000408084024 158261985 /nfs/dbraw/zinc/26/19/85/158261985.db2.gz MDCLRYBPJGHAFC-NEPJUHHUSA-N 1 2 341.433 1.870 20 5 EDBDLO COC1CC([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352201347 162047105 /nfs/dbraw/zinc/04/71/05/162047105.db2.gz FDSNECULEMATGZ-UHFFFAOYSA-N 1 2 328.390 1.478 20 5 EDBDLO COC1CC([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352201347 162047108 /nfs/dbraw/zinc/04/71/08/162047108.db2.gz FDSNECULEMATGZ-UHFFFAOYSA-N 1 2 328.390 1.478 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000055378494 287228711 /nfs/dbraw/zinc/22/87/11/287228711.db2.gz PZVNPDIJGOGULQ-CYBMUJFWSA-N 1 2 337.376 1.201 20 5 EDBDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274359631 268127306 /nfs/dbraw/zinc/12/73/06/268127306.db2.gz ZCNTUSLUIDETLB-UKRRQHHQSA-N 1 2 338.360 1.362 20 5 EDBDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274359631 268127308 /nfs/dbraw/zinc/12/73/08/268127308.db2.gz ZCNTUSLUIDETLB-UKRRQHHQSA-N 1 2 338.360 1.362 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000275302586 268317857 /nfs/dbraw/zinc/31/78/57/268317857.db2.gz ANXVGELOJKXJSY-ZUZCIYMTSA-N 1 2 346.343 1.684 20 5 EDBDLO Cc1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000273514391 273041800 /nfs/dbraw/zinc/04/18/00/273041800.db2.gz RNOIKDNWWZHXFT-UHFFFAOYSA-N 1 2 341.414 1.923 20 5 EDBDLO COCCC[NH+]1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281056277 273430644 /nfs/dbraw/zinc/43/06/44/273430644.db2.gz YCUAEOWBIACXMN-UHFFFAOYSA-N 1 2 337.376 1.531 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282045113 273576027 /nfs/dbraw/zinc/57/60/27/273576027.db2.gz GGFZUQJGZJZCPL-ZDUSSCGKSA-N 1 2 349.387 1.485 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000284375765 274180454 /nfs/dbraw/zinc/18/04/54/274180454.db2.gz ACOYUHMCDMOKRH-HZPDHXFCSA-N 1 2 344.371 1.621 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000284375765 274180456 /nfs/dbraw/zinc/18/04/56/274180456.db2.gz ACOYUHMCDMOKRH-HZPDHXFCSA-N 1 2 344.371 1.621 20 5 EDBDLO Cc1c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000284429833 274199010 /nfs/dbraw/zinc/19/90/10/274199010.db2.gz FLVYOLBQNMVJTG-GJZGRUSLSA-N 1 2 334.376 1.840 20 5 EDBDLO Cc1c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000284429833 274199012 /nfs/dbraw/zinc/19/90/12/274199012.db2.gz FLVYOLBQNMVJTG-GJZGRUSLSA-N 1 2 334.376 1.840 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284895528 274377488 /nfs/dbraw/zinc/37/74/88/274377488.db2.gz UMXVULZDIJCEJU-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284895528 274377491 /nfs/dbraw/zinc/37/74/91/274377491.db2.gz UMXVULZDIJCEJU-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284895528 274377492 /nfs/dbraw/zinc/37/74/92/274377492.db2.gz UMXVULZDIJCEJU-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284895528 274377495 /nfs/dbraw/zinc/37/74/95/274377495.db2.gz UMXVULZDIJCEJU-DAXOMENPSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285597041 274591307 /nfs/dbraw/zinc/59/13/07/274591307.db2.gz UXHQRADDYVJJEY-NSHDSACASA-N 1 2 330.348 1.232 20 5 EDBDLO CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000358893116 276450423 /nfs/dbraw/zinc/45/04/23/276450423.db2.gz IMSZYGMYNDNEJF-GFCCVEGCSA-N 1 2 343.343 1.131 20 5 EDBDLO COc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000353745693 277377604 /nfs/dbraw/zinc/37/76/04/277377604.db2.gz IMSCCPSMAHIUJR-CJNGLKHVSA-N 1 2 337.376 1.127 20 5 EDBDLO COc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000353745693 277377605 /nfs/dbraw/zinc/37/76/05/277377605.db2.gz IMSCCPSMAHIUJR-CJNGLKHVSA-N 1 2 337.376 1.127 20 5 EDBDLO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c([N+](=O)[O-])cc1OC ZINC000353745693 277377606 /nfs/dbraw/zinc/37/76/06/277377606.db2.gz IMSCCPSMAHIUJR-CJNGLKHVSA-N 1 2 337.376 1.127 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c([N+](=O)[O-])cc1OC ZINC000353745693 277377607 /nfs/dbraw/zinc/37/76/07/277377607.db2.gz IMSCCPSMAHIUJR-CJNGLKHVSA-N 1 2 337.376 1.127 20 5 EDBDLO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000054245435 277743792 /nfs/dbraw/zinc/74/37/92/277743792.db2.gz RJQCYBLUNVDJQO-OAHLLOKOSA-N 1 2 339.367 1.821 20 5 EDBDLO Cc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000287338393 288213378 /nfs/dbraw/zinc/21/33/78/288213378.db2.gz MWHKYNFAKUTVJS-ZIAGYGMSSA-N 1 2 333.388 1.838 20 5 EDBDLO CC[C@H](C)[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000450860819 280734624 /nfs/dbraw/zinc/73/46/24/280734624.db2.gz OTZLHMYOHSALKY-LBPRGKRZSA-N 1 2 341.433 1.919 20 5 EDBDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292299592 289310099 /nfs/dbraw/zinc/31/00/99/289310099.db2.gz DAHCUEUQBDHZMS-CYBMUJFWSA-N 1 2 349.391 1.639 20 5 EDBDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292299592 289310101 /nfs/dbraw/zinc/31/01/01/289310101.db2.gz DAHCUEUQBDHZMS-CYBMUJFWSA-N 1 2 349.391 1.639 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372239689 304533383 /nfs/dbraw/zinc/53/33/83/304533383.db2.gz BOFFCWVDJHWMAQ-LBPRGKRZSA-N 1 2 337.401 1.564 20 5 EDBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000294720551 303138970 /nfs/dbraw/zinc/13/89/70/303138970.db2.gz WFEWGORUXKOOGX-OAHLLOKOSA-N 1 2 330.344 1.935 20 5 EDBDLO Cc1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000297986728 303480931 /nfs/dbraw/zinc/48/09/31/303480931.db2.gz WPDLHVHKXVJXSJ-LLVKDONJSA-N 1 2 331.332 1.243 20 5 EDBDLO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000301281186 303670658 /nfs/dbraw/zinc/67/06/58/303670658.db2.gz KEHREJDVSHABDC-LBPRGKRZSA-N 1 2 333.392 1.087 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000456219624 447335737 /nfs/dbraw/zinc/33/57/37/447335737.db2.gz USCVXAHNOBQMHN-BETUJISGSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000456219624 447335740 /nfs/dbraw/zinc/33/57/40/447335740.db2.gz USCVXAHNOBQMHN-BETUJISGSA-N 1 2 335.360 1.196 20 5 EDBDLO [NH3+][C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cscn1 ZINC000423339654 304893408 /nfs/dbraw/zinc/89/34/08/304893408.db2.gz JAHGUMFNENCFGN-CQSZACIVSA-N 1 2 347.400 1.400 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000432894211 305097209 /nfs/dbraw/zinc/09/72/09/305097209.db2.gz PMOAASFHUDUVIW-GWCFXTLKSA-N 1 2 347.331 1.079 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445581484 305259001 /nfs/dbraw/zinc/25/90/01/305259001.db2.gz CGZVPSLCIQGXNY-GFCCVEGCSA-N 1 2 329.360 1.948 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441484 305346744 /nfs/dbraw/zinc/34/67/44/305346744.db2.gz YVCJONJGVLNZOY-YMTOWFKASA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441484 305346745 /nfs/dbraw/zinc/34/67/45/305346745.db2.gz YVCJONJGVLNZOY-YMTOWFKASA-N 1 2 329.303 1.624 20 5 EDBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000532397854 305982973 /nfs/dbraw/zinc/98/29/73/305982973.db2.gz JDLMNEXSVDGAAN-UHFFFAOYSA-N 1 2 327.344 1.915 20 5 EDBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535309452 306012648 /nfs/dbraw/zinc/01/26/48/306012648.db2.gz RZRZMDJVYQFGKA-GFCCVEGCSA-N 1 2 326.356 1.939 20 5 EDBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000543545410 306064713 /nfs/dbraw/zinc/06/47/13/306064713.db2.gz QETLFLZCYNEELT-MRVPVSSYSA-N 1 2 335.320 1.584 20 5 EDBDLO CC(C)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000045263827 440967324 /nfs/dbraw/zinc/96/73/24/440967324.db2.gz KYDZVVVIFAHWKY-UHFFFAOYSA-N 1 2 347.375 1.312 20 5 EDBDLO COCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000071120283 441140337 /nfs/dbraw/zinc/14/03/37/441140337.db2.gz QWHYNNRVQRPOBO-AWEZNQCLSA-N 1 2 342.417 1.620 20 5 EDBDLO COCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000071120283 441140340 /nfs/dbraw/zinc/14/03/40/441140340.db2.gz 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C[N@@H+](CCn1cccn1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000111281069 441531119 /nfs/dbraw/zinc/53/11/19/441531119.db2.gz JAQCCBAZJOXTQV-UHFFFAOYSA-N 1 2 328.332 1.973 20 5 EDBDLO COc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000109765720 441506632 /nfs/dbraw/zinc/50/66/32/441506632.db2.gz OLCKLAHZIMVZQE-CYBMUJFWSA-N 1 2 340.401 1.755 20 5 EDBDLO COc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000109765720 441506635 /nfs/dbraw/zinc/50/66/35/441506635.db2.gz OLCKLAHZIMVZQE-CYBMUJFWSA-N 1 2 340.401 1.755 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000090552260 441633432 /nfs/dbraw/zinc/63/34/32/441633432.db2.gz XMBBQNUUHOWNBA-CQSZACIVSA-N 1 2 335.385 1.892 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000090552260 441633434 /nfs/dbraw/zinc/63/34/34/441633434.db2.gz XMBBQNUUHOWNBA-CQSZACIVSA-N 1 2 335.385 1.892 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067472456 441643841 /nfs/dbraw/zinc/64/38/41/441643841.db2.gz RKRXXILCFBUGTI-AWEZNQCLSA-N 1 2 332.404 1.728 20 5 EDBDLO Cc1nn(C)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000076457838 441647921 /nfs/dbraw/zinc/64/79/21/441647921.db2.gz OHZADUFGTKIZPB-OAHLLOKOSA-N 1 2 345.403 1.950 20 5 EDBDLO Cc1nn(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000076457838 441647924 /nfs/dbraw/zinc/64/79/24/441647924.db2.gz OHZADUFGTKIZPB-OAHLLOKOSA-N 1 2 345.403 1.950 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000150926710 441976161 /nfs/dbraw/zinc/97/61/61/441976161.db2.gz PUOSBWBFMPIJEU-NSHDSACASA-N 1 2 345.359 1.524 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124757496 441949285 /nfs/dbraw/zinc/94/92/85/441949285.db2.gz FQYAYOXDPQBEAD-BDJLRTHQSA-N 1 2 337.376 1.777 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124757496 441949289 /nfs/dbraw/zinc/94/92/89/441949289.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000129610298 442325277 /nfs/dbraw/zinc/32/52/77/442325277.db2.gz UPYARPYETMDYIV-UHFFFAOYSA-N 1 2 344.371 1.731 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000129610298 442325281 /nfs/dbraw/zinc/32/52/81/442325281.db2.gz UPYARPYETMDYIV-UHFFFAOYSA-N 1 2 344.371 1.731 20 5 EDBDLO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCN(C)CC1 ZINC000171216403 442329509 /nfs/dbraw/zinc/32/95/09/442329509.db2.gz DBCCZBROBFZROL-LBPRGKRZSA-N 1 2 347.419 1.527 20 5 EDBDLO Nc1c(C(=O)NCCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000178156225 442411883 /nfs/dbraw/zinc/41/18/83/442411883.db2.gz NTGWMKOIQXDJOL-UHFFFAOYSA-N 1 2 325.328 1.797 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000172724895 442527181 /nfs/dbraw/zinc/52/71/81/442527181.db2.gz WHUAKFWBBOBYHY-INIZCTEOSA-N 1 2 335.404 1.990 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000186993849 442642077 /nfs/dbraw/zinc/64/20/77/442642077.db2.gz WCIMZBSYNXSOOH-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000186993849 442642078 /nfs/dbraw/zinc/64/20/78/442642078.db2.gz WCIMZBSYNXSOOH-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO COC(=O)CCN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000182113048 442737193 /nfs/dbraw/zinc/73/71/93/442737193.db2.gz PHMKEIWLLFTHMS-ZDUSSCGKSA-N 1 2 335.404 1.972 20 5 EDBDLO COC(=O)CCN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000182113048 442737196 /nfs/dbraw/zinc/73/71/96/442737196.db2.gz PHMKEIWLLFTHMS-ZDUSSCGKSA-N 1 2 335.404 1.972 20 5 EDBDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268441761 442990536 /nfs/dbraw/zinc/99/05/36/442990536.db2.gz DCPITFXZIPPMAZ-CQSZACIVSA-N 1 2 347.419 1.431 20 5 EDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000184642723 443054004 /nfs/dbraw/zinc/05/40/04/443054004.db2.gz GKXIVVXRONZPMW-UHFFFAOYSA-N 1 2 335.341 1.719 20 5 EDBDLO O=C1O[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC12CCC2 ZINC000298089976 318787228 /nfs/dbraw/zinc/78/72/28/318787228.db2.gz MNRLKMPPDNOXHV-CYBMUJFWSA-N 1 2 346.387 1.598 20 5 EDBDLO CNc1nc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000351088054 319091293 /nfs/dbraw/zinc/09/12/93/319091293.db2.gz VFZTVYXDVJBGGU-GFCCVEGCSA-N 1 2 346.347 1.617 20 5 EDBDLO CNc1nc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000351088054 319091295 /nfs/dbraw/zinc/09/12/95/319091295.db2.gz VFZTVYXDVJBGGU-GFCCVEGCSA-N 1 2 346.347 1.617 20 5 EDBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)c(F)c1 ZINC000413033002 319258436 /nfs/dbraw/zinc/25/84/36/319258436.db2.gz JLBXHBKMZSXXME-UHFFFAOYSA-N 1 2 333.323 1.973 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000191331803 443279362 /nfs/dbraw/zinc/27/93/62/443279362.db2.gz OGCWKYQDRUZPDM-CQSZACIVSA-N 1 2 349.435 1.969 20 5 EDBDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 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1.297 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000279283517 443549645 /nfs/dbraw/zinc/54/96/45/443549645.db2.gz XUAQHYHZOAHYTL-UHFFFAOYSA-N 1 2 336.367 1.720 20 5 EDBDLO Cn1ccnc1[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000279926374 443643317 /nfs/dbraw/zinc/64/33/17/443643317.db2.gz FRRZJMZUROFLPP-OAHLLOKOSA-N 1 2 333.367 1.956 20 5 EDBDLO Cn1ccnc1[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000279926374 443643319 /nfs/dbraw/zinc/64/33/19/443643319.db2.gz FRRZJMZUROFLPP-OAHLLOKOSA-N 1 2 333.367 1.956 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)[C@@H]3CCCO3)n2)cc1 ZINC000447924965 320147421 /nfs/dbraw/zinc/14/74/21/320147421.db2.gz XTWLZJQOEUDHGF-OLZOCXBDSA-N 1 2 334.332 1.274 20 5 EDBDLO O=C(NC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448756178 320157363 /nfs/dbraw/zinc/15/73/63/320157363.db2.gz MBYGLQOAAVDELK-GFCCVEGCSA-N 1 2 330.344 1.937 20 5 EDBDLO CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448761913 320157706 /nfs/dbraw/zinc/15/77/06/320157706.db2.gz DZGAVDBZBGVSKG-UHFFFAOYSA-N 1 2 345.359 1.427 20 5 EDBDLO COC(=O)c1cnc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000276645783 443777096 /nfs/dbraw/zinc/77/70/96/443777096.db2.gz YIDJZJJTKZJTSS-UHFFFAOYSA-N 1 2 338.364 1.299 20 5 EDBDLO COC(=O)c1cnc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000276645783 443777103 /nfs/dbraw/zinc/77/71/03/443777103.db2.gz YIDJZJJTKZJTSS-UHFFFAOYSA-N 1 2 338.364 1.299 20 5 EDBDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000281079793 443813242 /nfs/dbraw/zinc/81/32/42/443813242.db2.gz VGXVNZJLXXMNFX-HNNXBMFYSA-N 1 2 332.360 1.474 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298564661 443801330 /nfs/dbraw/zinc/80/13/30/443801330.db2.gz MAWRAHUBXWSCAK-GFCCVEGCSA-N 1 2 342.417 1.860 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298564661 443801334 /nfs/dbraw/zinc/80/13/34/443801334.db2.gz MAWRAHUBXWSCAK-GFCCVEGCSA-N 1 2 342.417 1.860 20 5 EDBDLO CCOc1cc(C[N@H+](CCOC)[C@@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000276967415 443880730 /nfs/dbraw/zinc/88/07/30/443880730.db2.gz WHPPMEFVCTYZPY-NSHDSACASA-N 1 2 325.365 1.316 20 5 EDBDLO CCOc1cc(C[N@@H+](CCOC)[C@@H](C)C(N)=O)ccc1[N+](=O)[O-] ZINC000276967415 443880735 /nfs/dbraw/zinc/88/07/35/443880735.db2.gz WHPPMEFVCTYZPY-NSHDSACASA-N 1 2 325.365 1.316 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000285353842 443953570 /nfs/dbraw/zinc/95/35/70/443953570.db2.gz PTZYMTDOJHRWRP-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000285353842 443953575 /nfs/dbraw/zinc/95/35/75/443953575.db2.gz PTZYMTDOJHRWRP-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO COc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000298958678 443912946 /nfs/dbraw/zinc/91/29/46/443912946.db2.gz WFHJWQJLVOEZKU-UHFFFAOYSA-N 1 2 345.359 1.910 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000293327845 443984560 /nfs/dbraw/zinc/98/45/60/443984560.db2.gz KEXMFCXMFRFMHC-UHFFFAOYSA-N 1 2 347.327 1.946 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000281972009 444052305 /nfs/dbraw/zinc/05/23/05/444052305.db2.gz BOADINXOUUPACU-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000281972009 444052307 /nfs/dbraw/zinc/05/23/07/444052307.db2.gz BOADINXOUUPACU-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO CCOC(=O)C[N@@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302393055 444212503 /nfs/dbraw/zinc/21/25/03/444212503.db2.gz CHFQCDPZQRFWNW-UHFFFAOYSA-N 1 2 348.403 1.638 20 5 EDBDLO CCOC(=O)C[N@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302393055 444212504 /nfs/dbraw/zinc/21/25/04/444212504.db2.gz CHFQCDPZQRFWNW-UHFFFAOYSA-N 1 2 348.403 1.638 20 5 EDBDLO COC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000301838182 444193354 /nfs/dbraw/zinc/19/33/54/444193354.db2.gz NFZTWQHUFXNPOD-LBPRGKRZSA-N 1 2 331.332 1.272 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000290493659 444287638 /nfs/dbraw/zinc/28/76/38/444287638.db2.gz ORDKODNGJKMFAE-UHFFFAOYSA-N 1 2 331.332 1.109 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1[nH+]ccn1CC(F)(F)F ZINC000340658938 444474777 /nfs/dbraw/zinc/47/47/77/444474777.db2.gz FIAJIWLWTOVDIO-UHFFFAOYSA-N 1 2 346.269 1.257 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000342145833 444532762 /nfs/dbraw/zinc/53/27/62/444532762.db2.gz CCDODSFVDMJLLM-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000342145833 444532766 /nfs/dbraw/zinc/53/27/66/444532766.db2.gz CCDODSFVDMJLLM-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000342145833 444532769 /nfs/dbraw/zinc/53/27/69/444532769.db2.gz CCDODSFVDMJLLM-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000342145833 444532773 /nfs/dbraw/zinc/53/27/73/444532773.db2.gz CCDODSFVDMJLLM-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000340918777 444575502 /nfs/dbraw/zinc/57/55/02/444575502.db2.gz BYFIIXZAXFSNEV-UHFFFAOYSA-N 1 2 345.237 1.384 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000342349688 444647120 /nfs/dbraw/zinc/64/71/20/444647120.db2.gz UZNQZCLYDSUHPM-LBPRGKRZSA-N 1 2 338.389 1.204 20 5 EDBDLO CN(C)c1nccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000341194798 444721680 /nfs/dbraw/zinc/72/16/80/444721680.db2.gz UHMJOQVIOHVLMU-UHFFFAOYSA-N 1 2 342.403 1.773 20 5 EDBDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000344364605 444921704 /nfs/dbraw/zinc/92/17/04/444921704.db2.gz KGWZBCUREDYVNY-QWHCGFSZSA-N 1 2 337.376 1.577 20 5 EDBDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000344364605 444921708 /nfs/dbraw/zinc/92/17/08/444921708.db2.gz KGWZBCUREDYVNY-QWHCGFSZSA-N 1 2 337.376 1.577 20 5 EDBDLO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339075003 445021356 /nfs/dbraw/zinc/02/13/56/445021356.db2.gz OVVJZFWFEOQQBL-STQMWFEESA-N 1 2 341.433 1.492 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091673 445028640 /nfs/dbraw/zinc/02/86/40/445028640.db2.gz OVEPYQBANVAYKV-JSGCOSHPSA-N 1 2 338.360 1.843 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091673 445028645 /nfs/dbraw/zinc/02/86/45/445028645.db2.gz OVEPYQBANVAYKV-JSGCOSHPSA-N 1 2 338.360 1.843 20 5 EDBDLO CNC(=O)CCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339012645 444985273 /nfs/dbraw/zinc/98/52/73/444985273.db2.gz IBQSPNCCFDWORB-UHFFFAOYSA-N 1 2 337.376 1.418 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339071272 445019608 /nfs/dbraw/zinc/01/96/08/445019608.db2.gz CROONUUXUVZRBR-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339183514 445076303 /nfs/dbraw/zinc/07/63/03/445076303.db2.gz ACMXHHVFQGUBNR-TZMCWYRMSA-N 1 2 348.403 1.831 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339183514 445076306 /nfs/dbraw/zinc/07/63/06/445076306.db2.gz ACMXHHVFQGUBNR-TZMCWYRMSA-N 1 2 348.403 1.831 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348114462 445275646 /nfs/dbraw/zinc/27/56/46/445275646.db2.gz SZNOPFKDRCFPSW-RKDXNWHRSA-N 1 2 349.347 1.973 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348676662 445346433 /nfs/dbraw/zinc/34/64/33/445346433.db2.gz DRKCYWXWOWYSHT-JTQLQIEISA-N 1 2 341.327 1.864 20 5 EDBDLO COc1cc(CN2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351998590 445427265 /nfs/dbraw/zinc/42/72/65/445427265.db2.gz WLDZKYCVOSKMDH-ZFWWWQNUSA-N 1 2 335.404 1.898 20 5 EDBDLO COc1cc(C(=O)NCc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000359701768 445383248 /nfs/dbraw/zinc/38/32/48/445383248.db2.gz VZSHQKCBBBGMTH-UHFFFAOYSA-N 1 2 342.258 1.858 20 5 EDBDLO COc1cc(C(=O)NCc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000359701768 445383250 /nfs/dbraw/zinc/38/32/50/445383250.db2.gz VZSHQKCBBBGMTH-UHFFFAOYSA-N 1 2 342.258 1.858 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000350016890 445749250 /nfs/dbraw/zinc/74/92/50/445749250.db2.gz SNARYJWLJNWTDU-UHFFFAOYSA-N 1 2 329.404 1.955 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000350016890 445749253 /nfs/dbraw/zinc/74/92/53/445749253.db2.gz SNARYJWLJNWTDU-UHFFFAOYSA-N 1 2 329.404 1.955 20 5 EDBDLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000350891636 445938241 /nfs/dbraw/zinc/93/82/41/445938241.db2.gz ASJZENGSOSPIEB-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000350891636 445938249 /nfs/dbraw/zinc/93/82/49/445938249.db2.gz ASJZENGSOSPIEB-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO O=[N+]([O-])c1ncn(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000356652704 445915507 /nfs/dbraw/zinc/91/55/07/445915507.db2.gz UVFHBESELLMUQF-UHFFFAOYSA-N 1 2 338.287 1.470 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000372991340 445964072 /nfs/dbraw/zinc/96/40/72/445964072.db2.gz RSIIKSBOXWNECD-UHFFFAOYSA-N 1 2 347.379 1.166 20 5 EDBDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369273291 446037082 /nfs/dbraw/zinc/03/70/82/446037082.db2.gz ZKSYFXBFJWOWDN-QWRGUYRKSA-N 1 2 345.446 1.904 20 5 EDBDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369273291 446037087 /nfs/dbraw/zinc/03/70/87/446037087.db2.gz ZKSYFXBFJWOWDN-QWRGUYRKSA-N 1 2 345.446 1.904 20 5 EDBDLO Cc1c(C(=O)NCc2c[nH+]cn2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000356772171 446003390 /nfs/dbraw/zinc/00/33/90/446003390.db2.gz COPNGUCOZLGYLS-UHFFFAOYSA-N 1 2 341.331 1.147 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCc2[nH+]ccn2C1 ZINC000365328128 446148882 /nfs/dbraw/zinc/14/88/82/446148882.db2.gz UMPZVYCWXKLOAI-JTQLQIEISA-N 1 2 334.307 1.440 20 5 EDBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370422284 446271990 /nfs/dbraw/zinc/27/19/90/446271990.db2.gz HMRYIMMUDPWKSV-LBPRGKRZSA-N 1 2 339.779 1.795 20 5 EDBDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359617446 446322163 /nfs/dbraw/zinc/32/21/63/446322163.db2.gz ODXZCBBAJIHNHI-LBPRGKRZSA-N 1 2 342.355 1.775 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2CNc2c([N+](=O)[O-])ncn2C)cn1 ZINC000359631713 446328892 /nfs/dbraw/zinc/32/88/92/446328892.db2.gz BBEXGSDNHFVYCP-NWDGAFQWSA-N 1 2 337.359 1.086 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@@H]2CNc2c([N+](=O)[O-])ncn2C)cn1 ZINC000359631713 446328898 /nfs/dbraw/zinc/32/88/98/446328898.db2.gz BBEXGSDNHFVYCP-NWDGAFQWSA-N 1 2 337.359 1.086 20 5 EDBDLO NC(=O)[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000366924572 446413119 /nfs/dbraw/zinc/41/31/19/446413119.db2.gz IMDUOLMRRDZWRH-AWEZNQCLSA-N 1 2 345.302 1.008 20 5 EDBDLO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000366924572 446413121 /nfs/dbraw/zinc/41/31/21/446413121.db2.gz IMDUOLMRRDZWRH-AWEZNQCLSA-N 1 2 345.302 1.008 20 5 EDBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000376536237 446560211 /nfs/dbraw/zinc/56/02/11/446560211.db2.gz UMIZZDSKONNZHF-HOCLYGCPSA-N 1 2 333.388 1.968 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)c1[N+](=O)[O-] ZINC000371180746 446676451 /nfs/dbraw/zinc/67/64/51/446676451.db2.gz MZEULUOTOGNOKI-UHFFFAOYSA-N 1 2 346.391 1.928 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000371180746 446676457 /nfs/dbraw/zinc/67/64/57/446676457.db2.gz MZEULUOTOGNOKI-UHFFFAOYSA-N 1 2 346.391 1.928 20 5 EDBDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412060902 446822703 /nfs/dbraw/zinc/82/27/03/446822703.db2.gz HBJURQLZSZIHLQ-MRXNPFEDSA-N 1 2 335.360 1.808 20 5 EDBDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412060902 446822709 /nfs/dbraw/zinc/82/27/09/446822709.db2.gz HBJURQLZSZIHLQ-MRXNPFEDSA-N 1 2 335.360 1.808 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1O ZINC000368415282 446847459 /nfs/dbraw/zinc/84/74/59/446847459.db2.gz AFAMQUUKIXZZCD-OLZOCXBDSA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1O ZINC000368415282 446847466 /nfs/dbraw/zinc/84/74/66/446847466.db2.gz AFAMQUUKIXZZCD-OLZOCXBDSA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)Nc1ccccc1[N+](=O)[O-] ZINC000368684499 447033706 /nfs/dbraw/zinc/03/37/06/447033706.db2.gz KUMLEDLPCOFYLO-LBPRGKRZSA-N 1 2 330.348 1.289 20 5 EDBDLO O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)Nc1ccccc1[N+](=O)[O-] ZINC000368684499 447033709 /nfs/dbraw/zinc/03/37/09/447033709.db2.gz KUMLEDLPCOFYLO-LBPRGKRZSA-N 1 2 330.348 1.289 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cnn[nH]4)CC3)nc2c1 ZINC000450736555 447559706 /nfs/dbraw/zinc/55/97/06/447559706.db2.gz IVRWOJBUKDHMAU-UHFFFAOYSA-N 1 2 342.363 1.302 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cnn[nH]4)CC3)nc2c1 ZINC000450736555 447559710 /nfs/dbraw/zinc/55/97/10/447559710.db2.gz IVRWOJBUKDHMAU-UHFFFAOYSA-N 1 2 342.363 1.302 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4c[nH]nn4)CC3)nc2c1 ZINC000450736555 447559712 /nfs/dbraw/zinc/55/97/12/447559712.db2.gz IVRWOJBUKDHMAU-UHFFFAOYSA-N 1 2 342.363 1.302 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4c[nH]nn4)CC3)nc2c1 ZINC000450736555 447559715 /nfs/dbraw/zinc/55/97/15/447559715.db2.gz IVRWOJBUKDHMAU-UHFFFAOYSA-N 1 2 342.363 1.302 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cn[nH]n4)CC3)nc2c1 ZINC000450736555 447559716 /nfs/dbraw/zinc/55/97/16/447559716.db2.gz IVRWOJBUKDHMAU-UHFFFAOYSA-N 1 2 342.363 1.302 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cn[nH]n4)CC3)nc2c1 ZINC000450736555 447559718 /nfs/dbraw/zinc/55/97/18/447559718.db2.gz IVRWOJBUKDHMAU-UHFFFAOYSA-N 1 2 342.363 1.302 20 5 EDBDLO C[C@H]([C@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCOCC1 ZINC000486962935 447826883 /nfs/dbraw/zinc/82/68/83/447826883.db2.gz DBOOABJHVSAOQN-NWDGAFQWSA-N 1 2 347.375 2.166 20 5 EDBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000496765855 447894357 /nfs/dbraw/zinc/89/43/57/447894357.db2.gz YYDTXPAWJNGXES-ZDUSSCGKSA-N 1 2 333.348 1.675 20 5 EDBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000496765855 447894361 /nfs/dbraw/zinc/89/43/61/447894361.db2.gz YYDTXPAWJNGXES-ZDUSSCGKSA-N 1 2 333.348 1.675 20 5 EDBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576719696 448126393 /nfs/dbraw/zinc/12/63/93/448126393.db2.gz KLFIUQYXGCWPCG-UHFFFAOYSA-N 1 2 332.242 1.349 20 5 EDBDLO C[C@@H]1C[N@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000532137813 448206679 /nfs/dbraw/zinc/20/66/79/448206679.db2.gz AFTBLLNLUKIYNR-SECBINFHSA-N 1 2 345.197 1.885 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000532137813 448206686 /nfs/dbraw/zinc/20/66/86/448206686.db2.gz AFTBLLNLUKIYNR-SECBINFHSA-N 1 2 345.197 1.885 20 5 EDBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515641239 448338058 /nfs/dbraw/zinc/33/80/58/448338058.db2.gz LEILWRDZOKSMOA-CYBMUJFWSA-N 1 2 333.436 1.916 20 5 EDBDLO CCC(=O)N1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589497265 449025955 /nfs/dbraw/zinc/02/59/55/449025955.db2.gz KFHZJZNGBLLUFG-UHFFFAOYSA-N 1 2 349.387 1.826 20 5 EDBDLO CCC(=O)N1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589497265 449025957 /nfs/dbraw/zinc/02/59/57/449025957.db2.gz KFHZJZNGBLLUFG-UHFFFAOYSA-N 1 2 349.387 1.826 20 5 EDBDLO COC[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000597888861 449134670 /nfs/dbraw/zinc/13/46/70/449134670.db2.gz XFEYIIIFKSPDHU-ZDUSSCGKSA-N 1 2 348.359 1.562 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595742189 449141670 /nfs/dbraw/zinc/14/16/70/449141670.db2.gz PBSQVYVAVAHCHY-STQMWFEESA-N 1 2 346.387 1.442 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595742189 449141673 /nfs/dbraw/zinc/14/16/73/449141673.db2.gz PBSQVYVAVAHCHY-STQMWFEESA-N 1 2 346.387 1.442 20 5 EDBDLO O=C(C[N@@H+]1CCC2(COC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595832180 449196207 /nfs/dbraw/zinc/19/62/07/449196207.db2.gz CYTUERVDXMYWJW-UHFFFAOYSA-N 1 2 325.752 1.909 20 5 EDBDLO O=C(C[N@H+]1CCC2(COC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595832180 449196209 /nfs/dbraw/zinc/19/62/09/449196209.db2.gz CYTUERVDXMYWJW-UHFFFAOYSA-N 1 2 325.752 1.909 20 5 EDBDLO O=C1[C@@H](N2CCn3c[nH+]cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590599028 449211340 /nfs/dbraw/zinc/21/13/40/449211340.db2.gz DOGKMBGDADLLFS-HNNXBMFYSA-N 1 2 327.344 1.412 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598000476 449186863 /nfs/dbraw/zinc/18/68/63/449186863.db2.gz VDBQDJQCVYFKRX-CHWSQXEVSA-N 1 2 336.392 1.232 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598000476 449186870 /nfs/dbraw/zinc/18/68/70/449186870.db2.gz VDBQDJQCVYFKRX-CHWSQXEVSA-N 1 2 336.392 1.232 20 5 EDBDLO COC(=O)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000611272322 449244770 /nfs/dbraw/zinc/24/47/70/449244770.db2.gz WUKOPCONGJWPEY-CQSZACIVSA-N 1 2 338.360 1.845 20 5 EDBDLO COC(=O)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000611272322 449244775 /nfs/dbraw/zinc/24/47/75/449244775.db2.gz WUKOPCONGJWPEY-CQSZACIVSA-N 1 2 338.360 1.845 20 5 EDBDLO CN1CCCC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000601970297 449253086 /nfs/dbraw/zinc/25/30/86/449253086.db2.gz NUQRQHGJBPDKBZ-AWEZNQCLSA-N 1 2 334.376 1.476 20 5 EDBDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000601970297 449253091 /nfs/dbraw/zinc/25/30/91/449253091.db2.gz NUQRQHGJBPDKBZ-AWEZNQCLSA-N 1 2 334.376 1.476 20 5 EDBDLO CCc1c[nH]c(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000602036933 449291588 /nfs/dbraw/zinc/29/15/88/449291588.db2.gz OQKUWVUKVCIDRH-UHFFFAOYSA-N 1 2 343.387 1.772 20 5 EDBDLO C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000611383724 449277474 /nfs/dbraw/zinc/27/74/74/449277474.db2.gz PZVVNYJWUJGPDM-SECBINFHSA-N 1 2 328.332 1.828 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611773000 449414922 /nfs/dbraw/zinc/41/49/22/449414922.db2.gz QGYHYZAMFPGXHU-UHFFFAOYSA-N 1 2 340.811 1.454 20 5 EDBDLO Cc1cc(N2CCC(O)(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596467854 449517981 /nfs/dbraw/zinc/51/79/81/449517981.db2.gz ADMDDFMBCBAXBA-UHFFFAOYSA-N 1 2 344.371 1.684 20 5 EDBDLO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1C[N@H+](C)CCO1 ZINC000601130673 449706500 /nfs/dbraw/zinc/70/65/00/449706500.db2.gz ASSYRRQXKDSNRH-HTQZYQBOSA-N 1 2 337.302 1.478 20 5 EDBDLO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000601130673 449706501 /nfs/dbraw/zinc/70/65/01/449706501.db2.gz ASSYRRQXKDSNRH-HTQZYQBOSA-N 1 2 337.302 1.478 20 5 EDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599062445 449714057 /nfs/dbraw/zinc/71/40/57/449714057.db2.gz QIUINHAHBRATGS-AWEZNQCLSA-N 1 2 346.387 1.272 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599076082 449719295 /nfs/dbraw/zinc/71/92/95/449719295.db2.gz BTXHYEZRIPJZOB-HOTGVXAUSA-N 1 2 345.403 1.338 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](O)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093756 449728759 /nfs/dbraw/zinc/72/87/59/449728759.db2.gz RIDIBROXBFBUIG-VXGBXAGGSA-N 1 2 331.328 1.503 20 5 EDBDLO Cc1cc(NCCNc2cc(C)c([N+](=O)[O-])cn2)nc(C(C)C)[nH+]1 ZINC000599146665 449763403 /nfs/dbraw/zinc/76/34/03/449763403.db2.gz AFBPDCFMYNUETC-UHFFFAOYSA-N 1 2 330.392 1.888 20 5 EDBDLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599161196 449770206 /nfs/dbraw/zinc/77/02/06/449770206.db2.gz VLUHBOPKHUZGIM-OAHLLOKOSA-N 1 2 343.387 1.525 20 5 EDBDLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599161196 449770213 /nfs/dbraw/zinc/77/02/13/449770213.db2.gz VLUHBOPKHUZGIM-OAHLLOKOSA-N 1 2 343.387 1.525 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000599161321 449771139 /nfs/dbraw/zinc/77/11/39/449771139.db2.gz OLQJNUPFAZCHMY-CQSZACIVSA-N 1 2 328.372 2.399 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000599161321 449771143 /nfs/dbraw/zinc/77/11/43/449771143.db2.gz OLQJNUPFAZCHMY-CQSZACIVSA-N 1 2 328.372 2.399 20 5 EDBDLO CNc1cc2c(nn1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609257983 449985541 /nfs/dbraw/zinc/98/55/41/449985541.db2.gz HWGSQUJKJRAJJN-UHFFFAOYSA-N 1 2 329.360 1.864 20 5 EDBDLO CNc1cc2c(nn1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609257983 449985548 /nfs/dbraw/zinc/98/55/48/449985548.db2.gz HWGSQUJKJRAJJN-UHFFFAOYSA-N 1 2 329.360 1.864 20 5 EDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595286826 450002386 /nfs/dbraw/zinc/00/23/86/450002386.db2.gz MXAJVTLNRHXZAJ-UHFFFAOYSA-N 1 2 338.383 1.376 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000595304397 450016899 /nfs/dbraw/zinc/01/68/99/450016899.db2.gz DOOGYFHMGRQBPZ-GFCCVEGCSA-N 1 2 338.364 1.105 20 5 EDBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000595304397 450016903 /nfs/dbraw/zinc/01/69/03/450016903.db2.gz DOOGYFHMGRQBPZ-GFCCVEGCSA-N 1 2 338.364 1.105 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374607 450087439 /nfs/dbraw/zinc/08/74/39/450087439.db2.gz HPTRFVZWKNEWCQ-QLFBSQMISA-N 1 2 349.435 1.585 20 5 EDBDLO C[C@@H]1C[N@H+](CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374607 450087445 /nfs/dbraw/zinc/08/74/45/450087445.db2.gz HPTRFVZWKNEWCQ-QLFBSQMISA-N 1 2 349.435 1.585 20 5 EDBDLO COC1CC[NH+](Cc2cn(Cc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000603165611 450106398 /nfs/dbraw/zinc/10/63/98/450106398.db2.gz YXDMPKBSZCTOFF-UHFFFAOYSA-N 1 2 331.376 1.845 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609881312 450110523 /nfs/dbraw/zinc/11/05/23/450110523.db2.gz JOSGHTAOHOOSLN-CYBMUJFWSA-N 1 2 344.375 1.680 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599703045 450165234 /nfs/dbraw/zinc/16/52/34/450165234.db2.gz XCHZFXFMVLDOIM-SNVBAGLBSA-N 1 2 328.756 1.700 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599703045 450165238 /nfs/dbraw/zinc/16/52/38/450165238.db2.gz XCHZFXFMVLDOIM-SNVBAGLBSA-N 1 2 328.756 1.700 20 5 EDBDLO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597708966 450212719 /nfs/dbraw/zinc/21/27/19/450212719.db2.gz DBMLLVUNZXHNLK-OAHLLOKOSA-N 1 2 333.388 1.840 20 5 EDBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])cn3C)[nH+]c12 ZINC000610434852 450217545 /nfs/dbraw/zinc/21/75/45/450217545.db2.gz NWDHVAZEYLJROR-UHFFFAOYSA-N 1 2 327.344 1.862 20 5 EDBDLO Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)[nH+]c12 ZINC000610453372 450225562 /nfs/dbraw/zinc/22/55/62/450225562.db2.gz BKIBRRMTXYNCQA-UHFFFAOYSA-N 1 2 341.327 1.624 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000597679719 450191295 /nfs/dbraw/zinc/19/12/95/450191295.db2.gz SAXAWNWJONLDQN-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000597679719 450191298 /nfs/dbraw/zinc/19/12/98/450191298.db2.gz SAXAWNWJONLDQN-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO Cc1c(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595587869 450249826 /nfs/dbraw/zinc/24/98/26/450249826.db2.gz LKLRVFCFHVBPEB-HNNXBMFYSA-N 1 2 348.403 1.519 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610678530 450296026 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EDBDLO CC(C)(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c[nH+]c[nH]1 ZINC000332115365 535024197 /nfs/dbraw/zinc/02/41/97/535024197.db2.gz HFZGKJAVHVGBMN-UHFFFAOYSA-N 1 2 343.387 1.944 20 5 EDBDLO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352762659 536012771 /nfs/dbraw/zinc/01/27/71/536012771.db2.gz IJYVXYBLMYIUFR-CYBMUJFWSA-N 1 2 341.331 1.157 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000727750995 578538423 /nfs/dbraw/zinc/53/84/23/578538423.db2.gz IYHCAYDZERSZIU-UHFFFAOYSA-N 1 2 342.355 1.959 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729384617 578566787 /nfs/dbraw/zinc/56/67/87/578566787.db2.gz AGENNQMGPPTHPM-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729384617 578566788 /nfs/dbraw/zinc/56/67/88/578566788.db2.gz AGENNQMGPPTHPM-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C/C(=C\C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752013819 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DLSOFSOIIVCPKD-CQSZACIVSA-N 1 2 340.347 1.349 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC000776773637 580428683 /nfs/dbraw/zinc/42/86/83/580428683.db2.gz DLSOFSOIIVCPKD-CQSZACIVSA-N 1 2 340.347 1.349 20 5 EDBDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000779635666 580492137 /nfs/dbraw/zinc/49/21/37/580492137.db2.gz YCVPCHGOVXCEOG-UHFFFAOYSA-N 1 2 330.753 1.460 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000779914554 580502545 /nfs/dbraw/zinc/50/25/45/580502545.db2.gz CHYBPTMRIOVJSL-UHFFFAOYSA-N 1 2 333.797 1.541 20 5 EDBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780330927 580518682 /nfs/dbraw/zinc/51/86/82/580518682.db2.gz JPUKDDUIQMPTOJ-UHFFFAOYSA-N 1 2 339.311 1.811 20 5 EDBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780352094 580519366 /nfs/dbraw/zinc/51/93/66/580519366.db2.gz VVDLZAGNQBHSDP-UHFFFAOYSA-N 1 2 339.311 1.811 20 5 EDBDLO CC[S@@](=O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780765014 580533331 /nfs/dbraw/zinc/53/33/31/580533331.db2.gz URSLBZJKIXCHQY-QKFKETGDSA-N 1 2 336.417 1.776 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781997303 580563159 /nfs/dbraw/zinc/56/31/59/580563159.db2.gz HIFDFHGZHGFYQF-NSHDSACASA-N 1 2 348.359 1.496 20 5 EDBDLO CC(C)[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000785677308 580649964 /nfs/dbraw/zinc/64/99/64/580649964.db2.gz JTRPKYKOOXCPSO-ZDUSSCGKSA-N 1 2 332.316 1.447 20 5 EDBDLO COC(=O)CC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000794629584 580900598 /nfs/dbraw/zinc/90/05/98/580900598.db2.gz XJXYEWSZYVZELO-UHFFFAOYSA-N 1 2 337.332 1.734 20 5 EDBDLO COC(=O)CC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000794629584 580900599 /nfs/dbraw/zinc/90/05/99/580900599.db2.gz XJXYEWSZYVZELO-UHFFFAOYSA-N 1 2 337.332 1.734 20 5 EDBDLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O 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C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC(C)(C)OC1=O ZINC000795677049 593189460 /nfs/dbraw/zinc/18/94/60/593189460.db2.gz RHIQSKIDMJOWQZ-AAEUAGOBSA-N 1 2 338.360 1.360 20 5 EDBDLO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC(C)(C)OC1=O ZINC000795677049 593189463 /nfs/dbraw/zinc/18/94/63/593189463.db2.gz RHIQSKIDMJOWQZ-AAEUAGOBSA-N 1 2 338.360 1.360 20 5 EDBDLO CO[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000840123478 593207460 /nfs/dbraw/zinc/20/74/60/593207460.db2.gz GPFIPZSHUDNJNM-MFKMUULPSA-N 1 2 333.344 1.505 20 5 EDBDLO CO[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C ZINC000840123478 593207463 /nfs/dbraw/zinc/20/74/63/593207463.db2.gz GPFIPZSHUDNJNM-MFKMUULPSA-N 1 2 333.344 1.505 20 5 EDBDLO CC1(C)CCC(=O)N1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000808139959 593227343 /nfs/dbraw/zinc/22/73/43/593227343.db2.gz UTKQLMXBAYOATQ-UHFFFAOYSA-N 1 2 333.392 1.470 20 5 EDBDLO COc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c([N+](=O)[O-])cc1OC 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CCn1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC001032081734 698360352 /nfs/dbraw/zinc/36/03/52/698360352.db2.gz YWRGYKJGDBJGEJ-UHFFFAOYSA-N 1 2 344.375 1.068 20 5 EDBDLO O=C(CCc1c[nH]c[nH+]1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000948675681 704210814 /nfs/dbraw/zinc/21/08/14/704210814.db2.gz FPDCMUKOPSNORD-UHFFFAOYSA-N 1 2 349.416 1.656 20 5 EDBDLO O=C(CCc1c[nH+]c[nH]1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000948675681 704210816 /nfs/dbraw/zinc/21/08/16/704210816.db2.gz FPDCMUKOPSNORD-UHFFFAOYSA-N 1 2 349.416 1.656 20 5 EDBDLO O=C(NCc1ccc(C[NH2+]Cc2ccon2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816529 711198367 /nfs/dbraw/zinc/19/83/67/711198367.db2.gz QTKWWLZCZJOULP-HUUCEWRRSA-N 1 2 330.344 1.246 20 5 EDBDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173764689 231027051 /nfs/dbraw/zinc/02/70/51/231027051.db2.gz AWYDPHARVANYOA-KBPBESRZSA-N 1 2 336.348 1.127 20 5 EDBDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173764689 231027053 /nfs/dbraw/zinc/02/70/53/231027053.db2.gz AWYDPHARVANYOA-KBPBESRZSA-N 1 2 336.348 1.127 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000174917718 231343346 /nfs/dbraw/zinc/34/33/46/231343346.db2.gz NGYLYOHDWDEXEN-SNVBAGLBSA-N 1 2 335.364 1.055 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000174161709 529603895 /nfs/dbraw/zinc/60/38/95/529603895.db2.gz WYKXYVZPBBVNNC-UHFFFAOYSA-N 1 2 335.404 1.998 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000174161709 529603899 /nfs/dbraw/zinc/60/38/99/529603899.db2.gz WYKXYVZPBBVNNC-UHFFFAOYSA-N 1 2 335.404 1.998 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1F ZINC000558732248 306246171 /nfs/dbraw/zinc/24/61/71/306246171.db2.gz JMIBGGLJSOTUBF-GFCCVEGCSA-N 1 2 344.306 1.710 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000171418201 529911221 /nfs/dbraw/zinc/91/12/21/529911221.db2.gz BNHPVPWBHQCUIV-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066835485 215085505 /nfs/dbraw/zinc/08/55/05/215085505.db2.gz BADBQKMSERLHLD-RYUDHWBXSA-N 1 2 335.360 1.807 20 5 EDBDLO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066835485 215085509 /nfs/dbraw/zinc/08/55/09/215085509.db2.gz BADBQKMSERLHLD-RYUDHWBXSA-N 1 2 335.360 1.807 20 5 EDBDLO O=C([C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000066892412 215091319 /nfs/dbraw/zinc/09/13/19/215091319.db2.gz GFBHMBHZEYPSRL-MRXNPFEDSA-N 1 2 333.388 1.808 20 5 EDBDLO O=C([C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000066892412 215091322 /nfs/dbraw/zinc/09/13/22/215091322.db2.gz GFBHMBHZEYPSRL-MRXNPFEDSA-N 1 2 333.388 1.808 20 5 EDBDLO Cc1ccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)o1 ZINC000090589827 138279932 /nfs/dbraw/zinc/27/99/32/138279932.db2.gz ZONKCGVAOUGIPF-HNNXBMFYSA-N 1 2 333.344 1.731 20 5 EDBDLO Cc1ccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)o1 ZINC000090589827 138279933 /nfs/dbraw/zinc/27/99/33/138279933.db2.gz ZONKCGVAOUGIPF-HNNXBMFYSA-N 1 2 333.344 1.731 20 5 EDBDLO Cc1cc(OC[C@@H](O)C[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000414120052 304101103 /nfs/dbraw/zinc/10/11/03/304101103.db2.gz AJIIPFKGZFRKKZ-LBPRGKRZSA-N 1 2 343.811 1.544 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246948038 139128156 /nfs/dbraw/zinc/12/81/56/139128156.db2.gz KKIBVLUEHTWPIA-ZIAGYGMSSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246948038 139128157 /nfs/dbraw/zinc/12/81/57/139128157.db2.gz KKIBVLUEHTWPIA-ZIAGYGMSSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246948038 139128158 /nfs/dbraw/zinc/12/81/58/139128158.db2.gz KKIBVLUEHTWPIA-ZIAGYGMSSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249353558 139191549 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/nfs/dbraw/zinc/19/58/59/139195859.db2.gz PUYKIFMRZCJTEN-JRPNMDOOSA-N 1 2 337.376 1.633 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251556335 139201898 /nfs/dbraw/zinc/20/18/98/139201898.db2.gz GCWKSIUMLPNPEK-UWVGGRQHSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251556335 139201899 /nfs/dbraw/zinc/20/18/99/139201899.db2.gz GCWKSIUMLPNPEK-UWVGGRQHSA-N 1 2 327.406 1.492 20 5 EDBDLO CO[C@@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1OC ZINC000488006402 255040681 /nfs/dbraw/zinc/04/06/81/255040681.db2.gz FVHNQGUKMSSQAY-CHWSQXEVSA-N 1 2 334.332 1.490 20 5 EDBDLO COc1cc(CCNC(=O)/C=C/c2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000493498962 255212492 /nfs/dbraw/zinc/21/24/92/255212492.db2.gz QWZRCSCAWVNFEV-ONEGZZNKSA-N 1 2 346.343 1.707 20 5 EDBDLO COC(=O)C(C)(C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336358 221054840 /nfs/dbraw/zinc/05/48/40/221054840.db2.gz NPCSFOSAVFQHRC-UHFFFAOYSA-N 1 2 337.332 1.434 20 5 EDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2C)cc1OC ZINC000264334208 139397995 /nfs/dbraw/zinc/39/79/95/139397995.db2.gz UESSWNFTABVNOY-UHFFFAOYSA-N 1 2 334.332 1.666 20 5 EDBDLO O=C1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1 ZINC000271509552 140304876 /nfs/dbraw/zinc/30/48/76/140304876.db2.gz YNVGMZDBZPFTNM-UHFFFAOYSA-N 1 2 346.309 1.847 20 5 EDBDLO O=C1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1 ZINC000271509552 140304877 /nfs/dbraw/zinc/30/48/77/140304877.db2.gz YNVGMZDBZPFTNM-UHFFFAOYSA-N 1 2 346.309 1.847 20 5 EDBDLO O=C([C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000331452528 141032062 /nfs/dbraw/zinc/03/20/62/141032062.db2.gz MPILHLLPXILZQU-CYBMUJFWSA-N 1 2 349.387 1.371 20 5 EDBDLO O=C([C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000331452528 141032063 /nfs/dbraw/zinc/03/20/63/141032063.db2.gz MPILHLLPXILZQU-CYBMUJFWSA-N 1 2 349.387 1.371 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 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329.356 1.788 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355642657 150347919 /nfs/dbraw/zinc/34/79/19/150347919.db2.gz LUXYSIIADGVSFD-UHFFFAOYSA-N 1 2 325.288 1.461 20 5 EDBDLO COc1c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000355662085 150353260 /nfs/dbraw/zinc/35/32/60/150353260.db2.gz PYDBXGBAYWYHRO-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000370056235 155305172 /nfs/dbraw/zinc/30/51/72/155305172.db2.gz PRZOILQKPXUJDI-QWHCGFSZSA-N 1 2 349.435 1.797 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000370056235 155305173 /nfs/dbraw/zinc/30/51/73/155305173.db2.gz PRZOILQKPXUJDI-QWHCGFSZSA-N 1 2 349.435 1.797 20 5 EDBDLO CCn1cc[nH+]c1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000364007292 153121572 /nfs/dbraw/zinc/12/15/72/153121572.db2.gz FUVBECLIDVLBKI-UHFFFAOYSA-N 1 2 347.375 1.752 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 ZINC000365100508 153423314 /nfs/dbraw/zinc/42/33/14/153423314.db2.gz IWVZRJDPNOHXJE-LBPRGKRZSA-N 1 2 343.387 1.911 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCCOC2)n1 ZINC000366241956 153758388 /nfs/dbraw/zinc/75/83/88/153758388.db2.gz UAKYKCIYQRVWHO-INIZCTEOSA-N 1 2 336.392 1.592 20 5 EDBDLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000374024937 157112360 /nfs/dbraw/zinc/11/23/60/157112360.db2.gz UMAOTOHUTGVBNH-WCQYABFASA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000374024937 157112363 /nfs/dbraw/zinc/11/23/63/157112363.db2.gz UMAOTOHUTGVBNH-WCQYABFASA-N 1 2 325.752 1.338 20 5 EDBDLO Cc1nccnc1N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374137480 157158981 /nfs/dbraw/zinc/15/89/81/157158981.db2.gz WGBJURICTXKLHQ-MRXNPFEDSA-N 1 2 343.387 1.549 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000352469544 162199430 /nfs/dbraw/zinc/19/94/30/162199430.db2.gz DGNJPJXPMIRAFJ-UHFFFAOYSA-N 1 2 345.446 1.230 20 5 EDBDLO COc1cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000352524259 162230791 /nfs/dbraw/zinc/23/07/91/162230791.db2.gz AYALFNFMYVTENR-UHFFFAOYSA-N 1 2 347.375 1.613 20 5 EDBDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000073604869 287262204 /nfs/dbraw/zinc/26/22/04/287262204.db2.gz AIXUUKHRYZWQBX-CQSZACIVSA-N 1 2 334.420 1.974 20 5 EDBDLO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCSC1 ZINC000274732185 268193518 /nfs/dbraw/zinc/19/35/18/268193518.db2.gz WVBWAZQERKNEDN-CQSZACIVSA-N 1 2 325.390 1.468 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275378828 268332920 /nfs/dbraw/zinc/33/29/20/268332920.db2.gz AODVGKWFSSVFDL-CQSZACIVSA-N 1 2 337.376 1.635 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275378828 268332921 /nfs/dbraw/zinc/33/29/21/268332921.db2.gz AODVGKWFSSVFDL-CQSZACIVSA-N 1 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C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279496709 273302626 /nfs/dbraw/zinc/30/26/26/273302626.db2.gz VOPMLZJENXXVPH-LBPRGKRZSA-N 1 2 338.364 1.656 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279496709 273302628 /nfs/dbraw/zinc/30/26/28/273302628.db2.gz VOPMLZJENXXVPH-LBPRGKRZSA-N 1 2 338.364 1.656 20 5 EDBDLO COc1cc(CN(C)[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000279669667 273316267 /nfs/dbraw/zinc/31/62/67/273316267.db2.gz FANLTMDUEUCQLX-LBPRGKRZSA-N 1 2 341.383 1.895 20 5 EDBDLO Cc1noc([C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284887897 274374160 /nfs/dbraw/zinc/37/41/60/274374160.db2.gz NSLUYDADZNRDBE-HUUCEWRRSA-N 1 2 347.375 1.308 20 5 EDBDLO Cc1noc([C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284887897 274374161 /nfs/dbraw/zinc/37/41/61/274374161.db2.gz NSLUYDADZNRDBE-HUUCEWRRSA-N 1 2 347.375 1.308 20 5 EDBDLO COC(=O)C[N@@H+]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 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20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339064966 302046589 /nfs/dbraw/zinc/04/65/89/302046589.db2.gz AUXHDZCJBMMACD-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO COc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000456202857 447322557 /nfs/dbraw/zinc/32/25/57/447322557.db2.gz DZIVWLDEQDXNRK-BETUJISGSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000456202857 447322565 /nfs/dbraw/zinc/32/25/65/447322565.db2.gz DZIVWLDEQDXNRK-BETUJISGSA-N 1 2 335.360 1.196 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294341461 303094169 /nfs/dbraw/zinc/09/41/69/303094169.db2.gz FLFKWXHWPNXRKO-UHFFFAOYSA-N 1 2 338.408 1.771 20 5 EDBDLO Cc1cc(F)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000297008592 303353478 /nfs/dbraw/zinc/35/34/78/303353478.db2.gz QJZMVBAYAZZYMU-UHFFFAOYSA-N 1 2 347.306 1.220 20 5 EDBDLO 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C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272929796 443492377 /nfs/dbraw/zinc/49/23/77/443492377.db2.gz CAFBFFCHCORYCY-NHYWBVRUSA-N 1 2 343.343 1.489 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000267701856 443547371 /nfs/dbraw/zinc/54/73/71/443547371.db2.gz JDHWGFZPNVOHOQ-LLVKDONJSA-N 1 2 338.314 1.489 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000267701856 443547376 /nfs/dbraw/zinc/54/73/76/443547376.db2.gz JDHWGFZPNVOHOQ-LLVKDONJSA-N 1 2 338.314 1.489 20 5 EDBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000440638825 320076337 /nfs/dbraw/zinc/07/63/37/320076337.db2.gz QUWOPZBSXSQBCI-MRXNPFEDSA-N 1 2 336.392 1.890 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000276435216 443704655 /nfs/dbraw/zinc/70/46/55/443704655.db2.gz LYLHQDKVFTWXLT-INIZCTEOSA-N 1 2 347.415 1.707 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Cc2ccccc2[N+](=O)[O-])C1 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FIZVBLYNYITEBW-GFCCVEGCSA-N 1 2 331.332 1.355 20 5 EDBDLO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCNC1=O ZINC000282227918 444120469 /nfs/dbraw/zinc/12/04/69/444120469.db2.gz FIZVBLYNYITEBW-GFCCVEGCSA-N 1 2 331.332 1.355 20 5 EDBDLO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1ccc([N+](=O)[O-])cc1 ZINC000301320261 444163475 /nfs/dbraw/zinc/16/34/75/444163475.db2.gz RRWCVKMWDDHUPI-UHFFFAOYSA-N 1 2 342.315 1.520 20 5 EDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000295203697 444170384 /nfs/dbraw/zinc/17/03/84/444170384.db2.gz CKTNSLSHWKQALA-UHFFFAOYSA-N 1 2 338.389 1.907 20 5 EDBDLO CNC(=O)C1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302209882 444209235 /nfs/dbraw/zinc/20/92/35/444209235.db2.gz LVWPFQQXRXGHBI-UHFFFAOYSA-N 1 2 327.344 1.542 20 5 EDBDLO Cn1ncc2c1nc(NCCNc1ccc([N+](=O)[O-])cc1)[nH+]c2N ZINC000302844528 444227092 /nfs/dbraw/zinc/22/70/92/444227092.db2.gz NKXNIWSRXNKQMT-UHFFFAOYSA-N 1 2 328.336 1.378 20 5 EDBDLO COC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000298084143 444410168 /nfs/dbraw/zinc/41/01/68/444410168.db2.gz KGZVHEYYSJPYAV-UHFFFAOYSA-N 1 2 325.321 1.037 20 5 EDBDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000298084143 444410171 /nfs/dbraw/zinc/41/01/71/444410171.db2.gz KGZVHEYYSJPYAV-UHFFFAOYSA-N 1 2 325.321 1.037 20 5 EDBDLO Cc1cc(N2C[C@@H]3COC[C@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000337809776 444417983 /nfs/dbraw/zinc/41/79/83/444417983.db2.gz LWAHMEAEMWISGW-GASCZTMLSA-N 1 2 342.355 1.964 20 5 EDBDLO COC(=O)Cn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000579140526 321891332 /nfs/dbraw/zinc/89/13/32/321891332.db2.gz HHIUMEGJDMAGJF-ZDUSSCGKSA-N 1 2 331.332 1.136 20 5 EDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000579350843 321923968 /nfs/dbraw/zinc/92/39/68/321923968.db2.gz ZRKVBIIZTFAQCM-LBPRGKRZSA-N 1 2 331.332 1.674 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000580242419 322027083 /nfs/dbraw/zinc/02/70/83/322027083.db2.gz BDICBSLVBXKGFJ-UHFFFAOYSA-N 1 2 348.403 1.348 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H]1CO ZINC000343707875 444534468 /nfs/dbraw/zinc/53/44/68/444534468.db2.gz BYFXLPJHNIADAT-GFCCVEGCSA-N 1 2 325.390 1.251 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H]1CO ZINC000343707875 444534470 /nfs/dbraw/zinc/53/44/70/444534470.db2.gz BYFXLPJHNIADAT-GFCCVEGCSA-N 1 2 325.390 1.251 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148069 444534484 /nfs/dbraw/zinc/53/44/84/444534484.db2.gz GROHSNSMTPFVLL-LSDHHAIUSA-N 1 2 331.376 1.376 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148069 444534488 /nfs/dbraw/zinc/53/44/88/444534488.db2.gz GROHSNSMTPFVLL-LSDHHAIUSA-N 1 2 331.376 1.376 20 5 EDBDLO CN1CCO[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148069 444534493 /nfs/dbraw/zinc/53/44/93/444534493.db2.gz GROHSNSMTPFVLL-LSDHHAIUSA-N 1 2 331.376 1.376 20 5 EDBDLO CN1CCO[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148069 444534497 /nfs/dbraw/zinc/53/44/97/444534497.db2.gz GROHSNSMTPFVLL-LSDHHAIUSA-N 1 2 331.376 1.376 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342351564 444649100 /nfs/dbraw/zinc/64/91/00/444649100.db2.gz VPYPMKYCERRIJZ-VXGBXAGGSA-N 1 2 349.391 1.234 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342351564 444649104 /nfs/dbraw/zinc/64/91/04/444649104.db2.gz VPYPMKYCERRIJZ-VXGBXAGGSA-N 1 2 349.391 1.234 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000344212816 444842875 /nfs/dbraw/zinc/84/28/75/444842875.db2.gz NZGXHMMDUZMKIY-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000344212816 444842879 /nfs/dbraw/zinc/84/28/79/444842879.db2.gz NZGXHMMDUZMKIY-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338782385 444849667 /nfs/dbraw/zinc/84/96/67/444849667.db2.gz CDXVCYGYKCXZEV-QWRGUYRKSA-N 1 2 327.406 1.527 20 5 EDBDLO O=C1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000341525120 444875479 /nfs/dbraw/zinc/87/54/79/444875479.db2.gz BFSZCXGDRHBAQN-UHFFFAOYSA-N 1 2 331.307 1.809 20 5 EDBDLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000338881084 444910593 /nfs/dbraw/zinc/91/05/93/444910593.db2.gz FELJMNLQROOHOO-UHFFFAOYSA-N 1 2 345.359 1.433 20 5 EDBDLO CN(C)c1[nH]c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000338916496 444930410 /nfs/dbraw/zinc/93/04/10/444930410.db2.gz LIRWHTOZSUMIBG-UHFFFAOYSA-N 1 2 329.320 1.372 20 5 EDBDLO Cc1nn(CCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000341685807 444946856 /nfs/dbraw/zinc/94/68/56/444946856.db2.gz BDPKVJKZTAWCAD-AWEZNQCLSA-N 1 2 346.391 1.799 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000344520512 445030016 /nfs/dbraw/zinc/03/00/16/445030016.db2.gz BKCBSYMMGIRPRF-PWSUYJOCSA-N 1 2 349.395 1.229 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344472899 444997026 /nfs/dbraw/zinc/99/70/26/444997026.db2.gz BPTHQYGJIDSTGJ-LLVKDONJSA-N 1 2 341.795 1.628 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344472899 444997031 /nfs/dbraw/zinc/99/70/31/444997031.db2.gz BPTHQYGJIDSTGJ-LLVKDONJSA-N 1 2 341.795 1.628 20 5 EDBDLO CC[C@H]1C[N@H+](CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCO1 ZINC000343108838 445071768 /nfs/dbraw/zinc/07/17/68/445071768.db2.gz SDAOPAKRSPTQHW-NSHDSACASA-N 1 2 338.364 1.299 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCO1 ZINC000343108838 445071773 /nfs/dbraw/zinc/07/17/73/445071773.db2.gz SDAOPAKRSPTQHW-NSHDSACASA-N 1 2 338.364 1.299 20 5 EDBDLO C[C@H](N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000337487861 445102210 /nfs/dbraw/zinc/10/22/10/445102210.db2.gz UFWJCDTZFIWOST-SMDDNHRTSA-N 1 2 349.366 1.482 20 5 EDBDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330866984 445172701 /nfs/dbraw/zinc/17/27/01/445172701.db2.gz ZXEZTNZWRFBACV-RISCZKNCSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330866984 445172705 /nfs/dbraw/zinc/17/27/05/445172705.db2.gz ZXEZTNZWRFBACV-RISCZKNCSA-N 1 2 328.390 1.071 20 5 EDBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000343367345 445211124 /nfs/dbraw/zinc/21/11/24/445211124.db2.gz TVWOGSJJPNLYFC-UHFFFAOYSA-N 1 2 345.281 1.964 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1C ZINC000347154386 445233274 /nfs/dbraw/zinc/23/32/74/445233274.db2.gz JTSXECBDUDBDDX-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1C ZINC000347154386 445233275 /nfs/dbraw/zinc/23/32/75/445233275.db2.gz JTSXECBDUDBDDX-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)N2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000357037215 445387773 /nfs/dbraw/zinc/38/77/73/445387773.db2.gz JLDSZVFRXMUVBX-LBPRGKRZSA-N 1 2 329.360 1.943 20 5 EDBDLO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCn2cc[nH+]c2C1 ZINC000349522907 445604189 /nfs/dbraw/zinc/60/41/89/445604189.db2.gz VVODRZAVLGTBNJ-UHFFFAOYSA-N 1 2 325.332 1.607 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356075790 445605356 /nfs/dbraw/zinc/60/53/56/445605356.db2.gz ZHTOXXGYLPFUCE-XHDPSFHLSA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363095591 445675812 /nfs/dbraw/zinc/67/58/12/445675812.db2.gz KUFWWPAEHPYBQS-UHFFFAOYSA-N 1 2 338.327 1.809 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000349763714 445670797 /nfs/dbraw/zinc/67/07/97/445670797.db2.gz JOLDVVYFGYKCHO-SNVBAGLBSA-N 1 2 336.352 1.712 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000349763714 445670801 /nfs/dbraw/zinc/67/08/01/445670801.db2.gz JOLDVVYFGYKCHO-SNVBAGLBSA-N 1 2 336.352 1.712 20 5 EDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000350052129 445758461 /nfs/dbraw/zinc/75/84/61/445758461.db2.gz WRFRJYDDPJTKPB-UHFFFAOYSA-N 1 2 346.334 1.899 20 5 EDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000350052129 445758466 /nfs/dbraw/zinc/75/84/66/445758466.db2.gz WRFRJYDDPJTKPB-UHFFFAOYSA-N 1 2 346.334 1.899 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000356459559 445802843 /nfs/dbraw/zinc/80/28/43/445802843.db2.gz BRTSMSXCOAVYFJ-UHFFFAOYSA-N 1 2 344.306 1.583 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000364503259 445926644 /nfs/dbraw/zinc/92/66/44/445926644.db2.gz ZOINKGIDBLBXOR-NSHDSACASA-N 1 2 330.344 1.853 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351100180 445990228 /nfs/dbraw/zinc/99/02/28/445990228.db2.gz FYMXHYYBSBIASJ-VIFPVBQESA-N 1 2 335.295 1.074 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000365046483 445991251 /nfs/dbraw/zinc/99/12/51/445991251.db2.gz VIKBJUFNXXSLFG-OAHLLOKOSA-N 1 2 346.387 1.021 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000366109000 446017933 /nfs/dbraw/zinc/01/79/33/446017933.db2.gz OKRPTEHDMMLMJT-UHFFFAOYSA-N 1 2 333.319 1.790 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000366109000 446017938 /nfs/dbraw/zinc/01/79/38/446017938.db2.gz OKRPTEHDMMLMJT-UHFFFAOYSA-N 1 2 333.319 1.790 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000369319539 446070057 /nfs/dbraw/zinc/07/00/57/446070057.db2.gz OHMDJUAUJNHEAQ-JTQLQIEISA-N 1 2 332.364 1.634 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000369319539 446070060 /nfs/dbraw/zinc/07/00/60/446070060.db2.gz OHMDJUAUJNHEAQ-JTQLQIEISA-N 1 2 332.364 1.634 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359618899 446322896 /nfs/dbraw/zinc/32/28/96/446322896.db2.gz LQAKVUMQBGXGDV-NSHDSACASA-N 1 2 337.376 1.362 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359618899 446322898 /nfs/dbraw/zinc/32/28/98/446322898.db2.gz LQAKVUMQBGXGDV-NSHDSACASA-N 1 2 337.376 1.362 20 5 EDBDLO Cc1sc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000370479946 446297815 /nfs/dbraw/zinc/29/78/15/446297815.db2.gz HUEPKYPGZCZLTA-LLVKDONJSA-N 1 2 325.390 1.511 20 5 EDBDLO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000374110999 446353453 /nfs/dbraw/zinc/35/34/53/446353453.db2.gz QQFKNSLXTDDHNF-INIZCTEOSA-N 1 2 332.404 1.381 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000374901755 446446495 /nfs/dbraw/zinc/44/64/95/446446495.db2.gz KXZWRSNMDMRHFZ-ZDUSSCGKSA-N 1 2 349.778 1.618 20 5 EDBDLO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)OCC ZINC000411654761 446636292 /nfs/dbraw/zinc/63/62/92/446636292.db2.gz ZLKZOVWKBGJXOU-LBPRGKRZSA-N 1 2 325.365 1.420 20 5 EDBDLO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)OCC ZINC000411654761 446636296 /nfs/dbraw/zinc/63/62/96/446636296.db2.gz ZLKZOVWKBGJXOU-LBPRGKRZSA-N 1 2 325.365 1.420 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000375367642 446751752 /nfs/dbraw/zinc/75/17/52/446751752.db2.gz PHTOLXGVEAEQNT-QMTHXVAHSA-N 1 2 333.323 1.899 20 5 EDBDLO COC(=O)C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000437811122 446762261 /nfs/dbraw/zinc/76/22/61/446762261.db2.gz PLGKOMIBMHAFMP-UHFFFAOYSA-N 1 2 344.327 1.606 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]2CCOC[C@@H]21 ZINC000368321688 446785552 /nfs/dbraw/zinc/78/55/52/446785552.db2.gz NVGSTUIIELNMQV-HOTGVXAUSA-N 1 2 349.387 1.722 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H]2CCOC[C@@H]21 ZINC000368321688 446785557 /nfs/dbraw/zinc/78/55/57/446785557.db2.gz NVGSTUIIELNMQV-HOTGVXAUSA-N 1 2 349.387 1.722 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421028595 446999186 /nfs/dbraw/zinc/99/91/86/446999186.db2.gz WHCGKPIXMNFCKA-NEPJUHHUSA-N 1 2 337.376 1.777 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421028595 446999194 /nfs/dbraw/zinc/99/91/94/446999194.db2.gz WHCGKPIXMNFCKA-NEPJUHHUSA-N 1 2 337.376 1.777 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(n2cc(C(C)(C)O)nn2)C1 ZINC000368826815 447139396 /nfs/dbraw/zinc/13/93/96/447139396.db2.gz SXEGYLFCEBXHDP-UHFFFAOYSA-N 1 2 331.376 1.779 20 5 EDBDLO CCOC(=O)c1ccnc(NCCc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000413351658 447157061 /nfs/dbraw/zinc/15/70/61/447157061.db2.gz LWETWMWCBWOWCV-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CC[S@](=O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000375935138 447160144 /nfs/dbraw/zinc/16/01/44/447160144.db2.gz UXMOUQYROFTEIQ-SFDCACGMSA-N 1 2 342.417 1.825 20 5 EDBDLO COc1ccc(OCC[N@H+]2CC[S@](=O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000375935138 447160151 /nfs/dbraw/zinc/16/01/51/447160151.db2.gz UXMOUQYROFTEIQ-SFDCACGMSA-N 1 2 342.417 1.825 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ncsc2C1 ZINC000446067075 447227462 /nfs/dbraw/zinc/22/74/62/447227462.db2.gz DGABHRZZOLEBNY-NSHDSACASA-N 1 2 335.385 1.849 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ncsc2C1 ZINC000446067075 447227465 /nfs/dbraw/zinc/22/74/65/447227465.db2.gz DGABHRZZOLEBNY-NSHDSACASA-N 1 2 335.385 1.849 20 5 EDBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000416528809 447636173 /nfs/dbraw/zinc/63/61/73/447636173.db2.gz DKTGKTBCWQRVJQ-UHFFFAOYSA-N 1 2 344.780 1.503 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2c[nH+]cn2C1 ZINC000552868193 447960560 /nfs/dbraw/zinc/96/05/60/447960560.db2.gz RFEDCCUYEAQAAG-GFCCVEGCSA-N 1 2 329.360 1.582 20 5 EDBDLO Cc1cc(N[C@H]2CCNC(=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591196043 448285652 /nfs/dbraw/zinc/28/56/52/448285652.db2.gz XFLZBVNBVLLMNM-CYBMUJFWSA-N 1 2 341.371 1.863 20 5 EDBDLO COc1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000535721150 448502861 /nfs/dbraw/zinc/50/28/61/448502861.db2.gz QUXQKPIAEPWWAU-UHFFFAOYSA-N 1 2 325.328 2.163 20 5 EDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(n2cc[nH+]c2)C1 ZINC000536193189 448520423 /nfs/dbraw/zinc/52/04/23/448520423.db2.gz UEFSSHUQMRVTCM-UHFFFAOYSA-N 1 2 325.328 1.899 20 5 EDBDLO NS(=O)(=O)c1cc(NCCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000540906074 448652135 /nfs/dbraw/zinc/65/21/35/448652135.db2.gz PKKJOWRMNUYMRE-UHFFFAOYSA-N 1 2 339.377 1.331 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592746199 448967432 /nfs/dbraw/zinc/96/74/32/448967432.db2.gz QFIINIACIMUPRA-UHFFFAOYSA-N 1 2 342.359 1.415 20 5 EDBDLO Cc1cccn2cc(CCNc3nccc(C(N)=O)c3[N+](=O)[O-])[nH+]c12 ZINC000589582039 449034778 /nfs/dbraw/zinc/03/47/78/449034778.db2.gz FRXIXIVDEONOBY-UHFFFAOYSA-N 1 2 340.343 1.699 20 5 EDBDLO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)C(=O)OC(C)(C)C ZINC000595606712 449075124 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CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000611083938 449163036 /nfs/dbraw/zinc/16/30/36/449163036.db2.gz QTVQGDRAPGILIW-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007454 449146474 /nfs/dbraw/zinc/14/64/74/449146474.db2.gz RYMHFDYGENJISB-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007454 449146478 /nfs/dbraw/zinc/14/64/78/449146478.db2.gz RYMHFDYGENJISB-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595880786 449228997 /nfs/dbraw/zinc/22/89/97/449228997.db2.gz ZKEQWUIXNLLDFI-DOMZBBRYSA-N 1 2 342.417 1.319 20 5 EDBDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595880786 449229005 /nfs/dbraw/zinc/22/90/05/449229005.db2.gz ZKEQWUIXNLLDFI-DOMZBBRYSA-N 1 2 342.417 1.319 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC([C@H]2CCOC2)C1 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C[N@H+](C[C@H]1COCCO1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853559182 595803760 /nfs/dbraw/zinc/80/37/60/595803760.db2.gz XNGPDKRFNBKOMD-HOTGVXAUSA-N 1 2 349.387 1.215 20 5 EDBDLO C[N@@H+](C[C@H]1COCCO1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853559182 595803761 /nfs/dbraw/zinc/80/37/61/595803761.db2.gz XNGPDKRFNBKOMD-HOTGVXAUSA-N 1 2 349.387 1.215 20 5 EDBDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852039728 596018126 /nfs/dbraw/zinc/01/81/26/596018126.db2.gz PAGARWOCAKAGBE-LLVKDONJSA-N 1 2 326.353 1.992 20 5 EDBDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852039728 596018128 /nfs/dbraw/zinc/01/81/28/596018128.db2.gz PAGARWOCAKAGBE-LLVKDONJSA-N 1 2 326.353 1.992 20 5 EDBDLO O=C1CCC2=C(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)N1 ZINC000852295371 596115332 /nfs/dbraw/zinc/11/53/32/596115332.db2.gz FUITUNGPRXDVDT-UHFFFAOYSA-N 1 2 332.316 1.873 20 5 EDBDLO O=C1CCC2=C(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)N1 ZINC000852295371 596115334 /nfs/dbraw/zinc/11/53/34/596115334.db2.gz FUITUNGPRXDVDT-UHFFFAOYSA-N 1 2 332.316 1.873 20 5 EDBDLO O=C(C[NH+]1CCC(O)(CO)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852499572 596183807 /nfs/dbraw/zinc/18/38/07/596183807.db2.gz RTAPIMDKISULSG-UHFFFAOYSA-N 1 2 343.767 1.006 20 5 EDBDLO O=C1OC[C@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000862545158 596343827 /nfs/dbraw/zinc/34/38/27/596343827.db2.gz IFIOFFXAYAUJAW-RKDXNWHRSA-N 1 2 341.161 1.962 20 5 EDBDLO O=C1OC[C@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000862545158 596343829 /nfs/dbraw/zinc/34/38/29/596343829.db2.gz IFIOFFXAYAUJAW-RKDXNWHRSA-N 1 2 341.161 1.962 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000867712166 596510109 /nfs/dbraw/zinc/51/01/09/596510109.db2.gz VFSQIUMTNIZYMC-GFCCVEGCSA-N 1 2 345.396 1.615 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000867712166 596510111 /nfs/dbraw/zinc/51/01/11/596510111.db2.gz VFSQIUMTNIZYMC-GFCCVEGCSA-N 1 2 345.396 1.615 20 5 EDBDLO COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cn3C)CC[NH2+]2)c1 ZINC000870148030 596773143 /nfs/dbraw/zinc/77/31/43/596773143.db2.gz KVSUEDJFGPERQD-HNNXBMFYSA-N 1 2 344.371 1.729 20 5 EDBDLO COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[NH2+]2)c1 ZINC000870150626 596775247 /nfs/dbraw/zinc/77/52/47/596775247.db2.gz NPTSZHFBRPIRPH-INIZCTEOSA-N 1 2 342.355 1.785 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cnccn3)CC2)c(F)c1 ZINC000866121562 596796231 /nfs/dbraw/zinc/79/62/31/596796231.db2.gz SULOXTMYUFVQBF-UHFFFAOYSA-N 1 2 331.351 1.889 20 5 EDBDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000877715385 597550391 /nfs/dbraw/zinc/55/03/91/597550391.db2.gz WXIXIMQGDPHVFZ-HNNXBMFYSA-N 1 2 337.307 1.628 20 5 EDBDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000877715385 597550392 /nfs/dbraw/zinc/55/03/92/597550392.db2.gz WXIXIMQGDPHVFZ-HNNXBMFYSA-N 1 2 337.307 1.628 20 5 EDBDLO COc1cc(C[N@@H+]2CC=C[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000880487494 597943907 /nfs/dbraw/zinc/94/39/07/597943907.db2.gz ZZGMBELTUQXXFW-JTQLQIEISA-N 1 2 330.287 1.938 20 5 EDBDLO COc1cc(C[N@H+]2CC=C[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000880487494 597943909 /nfs/dbraw/zinc/94/39/09/597943909.db2.gz ZZGMBELTUQXXFW-JTQLQIEISA-N 1 2 330.287 1.938 20 5 EDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000882766795 598049301 /nfs/dbraw/zinc/04/93/01/598049301.db2.gz RCMWFKKQXPDLNT-JTQLQIEISA-N 1 2 333.797 1.621 20 5 EDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000882766795 598049303 /nfs/dbraw/zinc/04/93/03/598049303.db2.gz RCMWFKKQXPDLNT-JTQLQIEISA-N 1 2 333.797 1.621 20 5 EDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738357131 598673159 /nfs/dbraw/zinc/67/31/59/598673159.db2.gz CGJIXLOBPWQXTB-LBPRGKRZSA-N 1 2 340.347 1.813 20 5 EDBDLO Cc1c(C(=O)NCCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000174764788 695477679 /nfs/dbraw/zinc/47/76/79/695477679.db2.gz JNARHUSNNJWEEX-UHFFFAOYSA-N 1 2 333.304 1.815 20 5 EDBDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000919571117 697299200 /nfs/dbraw/zinc/29/92/00/697299200.db2.gz SLPYIPMUVRXLEF-TXEJJXNPSA-N 1 2 327.406 1.698 20 5 EDBDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000919571117 697299201 /nfs/dbraw/zinc/29/92/01/697299201.db2.gz SLPYIPMUVRXLEF-TXEJJXNPSA-N 1 2 327.406 1.698 20 5 EDBDLO Nc1cc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000052733833 214142061 /nfs/dbraw/zinc/14/20/61/214142061.db2.gz PAYDGFAYKNUAFF-UHFFFAOYSA-N 1 2 325.122 1.545 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000056926202 214395661 /nfs/dbraw/zinc/39/56/61/214395661.db2.gz ADYAVFVHFGCMMR-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000056926202 214395664 /nfs/dbraw/zinc/39/56/64/214395664.db2.gz ADYAVFVHFGCMMR-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000558690655 306244254 /nfs/dbraw/zinc/24/42/54/306244254.db2.gz ZXDAUBKLTWDYNI-UONOGXRCSA-N 1 2 334.420 1.450 20 5 EDBDLO COc1cc(C[NH+]2CCC(NC(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000184232527 235343034 /nfs/dbraw/zinc/34/30/34/235343034.db2.gz GKGJDIDZICKLER-UHFFFAOYSA-N 1 2 326.328 1.375 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000080319042 138264037 /nfs/dbraw/zinc/26/40/37/138264037.db2.gz RKKGQZLGTUIEDL-INIZCTEOSA-N 1 2 341.367 1.886 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000080319042 138264038 /nfs/dbraw/zinc/26/40/38/138264038.db2.gz RKKGQZLGTUIEDL-INIZCTEOSA-N 1 2 341.367 1.886 20 5 EDBDLO COc1cc[nH+]c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC000132823400 138383682 /nfs/dbraw/zinc/38/36/82/138383682.db2.gz KSFUTGWWRLGADM-UHFFFAOYSA-N 1 2 340.133 1.971 20 5 EDBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186846823 236040599 /nfs/dbraw/zinc/04/05/99/236040599.db2.gz ZNFAXDXXZKHRPA-UHFFFAOYSA-N 1 2 343.343 1.621 20 5 EDBDLO CN1CC[NH+]([C@@H]2CCCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000192505335 138945690 /nfs/dbraw/zinc/94/56/90/138945690.db2.gz DOGFYDLNGAKQQX-GFCCVEGCSA-N 1 2 325.438 1.658 20 5 EDBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247983924 139156705 /nfs/dbraw/zinc/15/67/05/139156705.db2.gz KCOPNXAEATVQRI-CQSZACIVSA-N 1 2 335.360 1.514 20 5 EDBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247983924 139156706 /nfs/dbraw/zinc/15/67/06/139156706.db2.gz KCOPNXAEATVQRI-CQSZACIVSA-N 1 2 335.360 1.514 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000090714783 217950023 /nfs/dbraw/zinc/95/00/23/217950023.db2.gz HTZBQDOGWOTIAG-UHFFFAOYSA-N 1 2 331.328 1.851 20 5 EDBDLO CCOCC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000093313430 218214796 /nfs/dbraw/zinc/21/47/96/218214796.db2.gz KMSCJILQAIJKTA-UHFFFAOYSA-N 1 2 325.365 1.900 20 5 EDBDLO CCOCC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000093313430 218214798 /nfs/dbraw/zinc/21/47/98/218214798.db2.gz KMSCJILQAIJKTA-UHFFFAOYSA-N 1 2 325.365 1.900 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cn(C)c[nH+]2)cc1C ZINC000416536387 251074569 /nfs/dbraw/zinc/07/45/69/251074569.db2.gz PSCDCELKYSWJDQ-UHFFFAOYSA-N 1 2 338.389 1.466 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000112560688 220350225 /nfs/dbraw/zinc/35/02/25/220350225.db2.gz GLCJWXDDNNVVTI-LBPRGKRZSA-N 1 2 339.779 1.795 20 5 EDBDLO O=c1[nH]c(N2CC[C@@H]([NH+]3CCOCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367429578 285149831 /nfs/dbraw/zinc/14/98/31/285149831.db2.gz JNPQOWCPICUXPA-GFCCVEGCSA-N 1 2 345.359 1.155 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1=O ZINC000495247811 255275332 /nfs/dbraw/zinc/27/53/32/255275332.db2.gz COWQJKYXFLBWGA-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1=O ZINC000495247811 255275333 /nfs/dbraw/zinc/27/53/33/255275333.db2.gz COWQJKYXFLBWGA-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000494787118 255261486 /nfs/dbraw/zinc/26/14/86/255261486.db2.gz IAGFLMLEYFKRJB-SECBINFHSA-N 1 2 334.336 1.021 20 5 EDBDLO CCNC(=O)C[N@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000119313121 221292204 /nfs/dbraw/zinc/29/22/04/221292204.db2.gz VBQHQKLACYJDOI-UHFFFAOYSA-N 1 2 325.365 1.570 20 5 EDBDLO CCNC(=O)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000119313121 221292208 /nfs/dbraw/zinc/29/22/08/221292208.db2.gz VBQHQKLACYJDOI-UHFFFAOYSA-N 1 2 325.365 1.570 20 5 EDBDLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051621099 132182194 /nfs/dbraw/zinc/18/21/94/132182194.db2.gz XBFJKTHVDROEGI-KRWDZBQOSA-N 1 2 340.383 1.943 20 5 EDBDLO O=C(NCCNc1cccc[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000270281318 140072867 /nfs/dbraw/zinc/07/28/67/140072867.db2.gz IWLMZFDOIHKRFN-UHFFFAOYSA-N 1 2 329.360 1.944 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000331595089 141053877 /nfs/dbraw/zinc/05/38/77/141053877.db2.gz NPNZHIPUUSFPLI-GFCCVEGCSA-N 1 2 333.323 1.254 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000332167498 141134214 /nfs/dbraw/zinc/13/42/14/141134214.db2.gz RXSODCFWEWENLK-UHFFFAOYSA-N 1 2 330.348 1.122 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416452661 304320044 /nfs/dbraw/zinc/32/00/44/304320044.db2.gz QASDTUXBILQETK-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416452661 304320046 /nfs/dbraw/zinc/32/00/46/304320046.db2.gz QASDTUXBILQETK-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000346087544 143166192 /nfs/dbraw/zinc/16/61/92/143166192.db2.gz TWHOGZJOIIORIB-GWCFXTLKSA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC000346087544 143166193 /nfs/dbraw/zinc/16/61/93/143166193.db2.gz TWHOGZJOIIORIB-GWCFXTLKSA-N 1 2 338.339 1.130 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000347601265 143339622 /nfs/dbraw/zinc/33/96/22/143339622.db2.gz VTRZPEHQHQYMNA-CYBMUJFWSA-N 1 2 346.387 1.917 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000347601265 143339623 /nfs/dbraw/zinc/33/96/23/143339623.db2.gz VTRZPEHQHQYMNA-CYBMUJFWSA-N 1 2 346.387 1.917 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352624937 149090036 /nfs/dbraw/zinc/09/00/36/149090036.db2.gz CXOZYNHAEYGRQF-CYBMUJFWSA-N 1 2 336.373 1.758 20 5 EDBDLO CNC(=O)NC(=O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000369905995 155225950 /nfs/dbraw/zinc/22/59/50/155225950.db2.gz KBVYCJPNYJHGPL-UHFFFAOYSA-N 1 2 347.375 1.030 20 5 EDBDLO CNC(=O)NC(=O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 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ZINC000374561903 157329314 /nfs/dbraw/zinc/32/93/14/157329314.db2.gz TZOJDIZQQOSCQG-NSHDSACASA-N 1 2 337.332 1.119 20 5 EDBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000377959220 158040382 /nfs/dbraw/zinc/04/03/82/158040382.db2.gz UVSGVVYDNJSOQG-HZSPNIEDSA-N 1 2 337.424 1.402 20 5 EDBDLO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000377959220 158040384 /nfs/dbraw/zinc/04/03/84/158040384.db2.gz UVSGVVYDNJSOQG-HZSPNIEDSA-N 1 2 337.424 1.402 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927413 287325389 /nfs/dbraw/zinc/32/53/89/287325389.db2.gz UXGQWQHQLBAUDL-NEPJUHHUSA-N 1 2 337.376 1.635 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927413 287325390 /nfs/dbraw/zinc/32/53/90/287325390.db2.gz UXGQWQHQLBAUDL-NEPJUHHUSA-N 1 2 337.376 1.635 20 5 EDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000164300297 226063675 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O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCO)C2CCC2)cc1 ZINC000275906199 268384325 /nfs/dbraw/zinc/38/43/25/268384325.db2.gz WESWDDUCTJXLPK-UHFFFAOYSA-N 1 2 328.390 1.215 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273950177 273061492 /nfs/dbraw/zinc/06/14/92/273061492.db2.gz MFYSVGNWCHSRFA-GFCCVEGCSA-N 1 2 339.367 1.458 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273950177 273061493 /nfs/dbraw/zinc/06/14/93/273061493.db2.gz MFYSVGNWCHSRFA-GFCCVEGCSA-N 1 2 339.367 1.458 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000275763125 273126153 /nfs/dbraw/zinc/12/61/53/273126153.db2.gz BFIPWHOGTDUVHV-NHYWBVRUSA-N 1 2 346.343 1.684 20 5 EDBDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000279242605 273287821 /nfs/dbraw/zinc/28/78/21/273287821.db2.gz UARMXCNCGGATGR-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000279242605 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ZINC000451937807 281164678 /nfs/dbraw/zinc/16/46/78/281164678.db2.gz WJBSKMDZWMSPEI-JTQLQIEISA-N 1 2 333.435 1.761 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000350873641 295196541 /nfs/dbraw/zinc/19/65/41/295196541.db2.gz ZJOWZGXFKFWSTR-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000350873641 295196543 /nfs/dbraw/zinc/19/65/43/295196543.db2.gz ZJOWZGXFKFWSTR-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000340752617 303018683 /nfs/dbraw/zinc/01/86/83/303018683.db2.gz ZZHRABSQOWEYBU-NEPJUHHUSA-N 1 2 326.422 1.815 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000340752617 303018685 /nfs/dbraw/zinc/01/86/85/303018685.db2.gz ZZHRABSQOWEYBU-NEPJUHHUSA-N 1 2 326.422 1.815 20 5 EDBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000295429143 303217904 /nfs/dbraw/zinc/21/79/04/303217904.db2.gz VRMGHYNWBNGEMH-LLVKDONJSA-N 1 2 345.396 1.839 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000297995439 303483163 /nfs/dbraw/zinc/48/31/63/303483163.db2.gz XIRUEOXJHHDCSP-GFCCVEGCSA-N 1 2 345.359 1.552 20 5 EDBDLO CC(C)NC(=O)c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000301749174 303692992 /nfs/dbraw/zinc/69/29/92/303692992.db2.gz ABLYDPLUJPRUIL-CQSZACIVSA-N 1 2 347.419 1.145 20 5 EDBDLO CC[C@@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000428717973 305015630 /nfs/dbraw/zinc/01/56/30/305015630.db2.gz LVXVHZVJIGPYCS-MRXNPFEDSA-N 1 2 330.344 1.768 20 5 EDBDLO NC(=O)c1cccc(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000439097224 305193851 /nfs/dbraw/zinc/19/38/51/305193851.db2.gz MCSSWWMZFAHPCV-UHFFFAOYSA-N 1 2 341.371 1.411 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000447658437 305283826 /nfs/dbraw/zinc/28/38/26/305283826.db2.gz GELNJJFKZROASO-LBPRGKRZSA-N 1 2 339.367 1.456 20 5 EDBDLO Nc1c(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449647833 305315528 /nfs/dbraw/zinc/31/55/28/305315528.db2.gz FIKRBSUCVFITGC-SSDOTTSWSA-N 1 2 332.282 1.291 20 5 EDBDLO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000007812334 441070395 /nfs/dbraw/zinc/07/03/95/441070395.db2.gz AJQJJQNNNJZXSP-UHFFFAOYSA-N 1 2 335.360 1.808 20 5 EDBDLO Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)ncc1[N+](=O)[O-] ZINC000074750021 441462808 /nfs/dbraw/zinc/46/28/08/441462808.db2.gz MDNBTJLOAYPNBN-UHFFFAOYSA-N 1 2 342.421 1.219 20 5 EDBDLO C[N@H+](CCN1CCOCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114190494 441640351 /nfs/dbraw/zinc/64/03/51/441640351.db2.gz AUZZSSVMMYZKDU-UHFFFAOYSA-N 1 2 347.375 1.409 20 5 EDBDLO C[N@@H+](CCN1CCOCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000114190494 441640355 /nfs/dbraw/zinc/64/03/55/441640355.db2.gz AUZZSSVMMYZKDU-UHFFFAOYSA-N 1 2 347.375 1.409 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000139947388 441830410 /nfs/dbraw/zinc/83/04/10/441830410.db2.gz NCCUJRSTYZTWND-LBPRGKRZSA-N 1 2 339.396 1.986 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000139947388 441830414 /nfs/dbraw/zinc/83/04/14/441830414.db2.gz NCCUJRSTYZTWND-LBPRGKRZSA-N 1 2 339.396 1.986 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000145321604 441887949 /nfs/dbraw/zinc/88/79/49/441887949.db2.gz XHMNASASVBODRD-UHFFFAOYSA-N 1 2 347.350 1.275 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450288042 447444042 /nfs/dbraw/zinc/44/40/42/447444042.db2.gz LFDLOGJYNKDVCS-CYBMUJFWSA-N 1 2 334.401 2.461 20 5 EDBDLO C[N@H+]1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450288042 447444045 /nfs/dbraw/zinc/44/40/45/447444045.db2.gz LFDLOGJYNKDVCS-CYBMUJFWSA-N 1 2 334.401 2.461 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000126352004 442102865 /nfs/dbraw/zinc/10/28/65/442102865.db2.gz JYRIPWSLIUULKY-HNNXBMFYSA-N 1 2 346.431 1.723 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000127202180 442180323 /nfs/dbraw/zinc/18/03/23/442180323.db2.gz VEBAGKGGKWEPNK-CHWSQXEVSA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000127202180 442180328 /nfs/dbraw/zinc/18/03/28/442180328.db2.gz VEBAGKGGKWEPNK-CHWSQXEVSA-N 1 2 335.360 1.284 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141690 442181153 /nfs/dbraw/zinc/18/11/53/442181153.db2.gz NNPSQXQLEUSDRE-TZMCWYRMSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141690 442181158 /nfs/dbraw/zinc/18/11/58/442181158.db2.gz NNPSQXQLEUSDRE-TZMCWYRMSA-N 1 2 336.392 1.594 20 5 EDBDLO CCC[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000152387046 442205899 /nfs/dbraw/zinc/20/58/99/442205899.db2.gz UEMPMXPMAHHVJY-ZDUSSCGKSA-N 1 2 337.376 1.583 20 5 EDBDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000152387046 442205901 /nfs/dbraw/zinc/20/59/01/442205901.db2.gz UEMPMXPMAHHVJY-ZDUSSCGKSA-N 1 2 337.376 1.583 20 5 EDBDLO Cc1cc(Cl)c(S(=O)(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000176638895 442243048 /nfs/dbraw/zinc/24/30/48/442243048.db2.gz CDEMVVQTNVTMEN-UHFFFAOYSA-N 1 2 344.780 1.732 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000134000443 442444950 /nfs/dbraw/zinc/44/49/50/442444950.db2.gz YBERHPJHQPKIIX-UHFFFAOYSA-N 1 2 333.348 1.731 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000134000443 442444952 /nfs/dbraw/zinc/44/49/52/442444952.db2.gz YBERHPJHQPKIIX-UHFFFAOYSA-N 1 2 333.348 1.731 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000191767096 442508082 /nfs/dbraw/zinc/50/80/82/442508082.db2.gz CCRQBIHPQOSWSV-UHFFFAOYSA-N 1 2 344.375 1.736 20 5 EDBDLO O=C(CCC1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157602202 442596702 /nfs/dbraw/zinc/59/67/02/442596702.db2.gz HPDGNYMVDKCKHG-UHFFFAOYSA-N 1 2 349.435 1.906 20 5 EDBDLO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000267928104 442789738 /nfs/dbraw/zinc/78/97/38/442789738.db2.gz UNQXUTMMHZIUHX-UHFFFAOYSA-N 1 2 345.359 1.711 20 5 EDBDLO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCOCC1 ZINC000193857526 442799712 /nfs/dbraw/zinc/79/97/12/442799712.db2.gz TZFPOSYRBHTOEW-NSHDSACASA-N 1 2 334.376 1.612 20 5 EDBDLO CCOc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188756192 442805895 /nfs/dbraw/zinc/80/58/95/442805895.db2.gz CPTVLUAUHAJPDN-LBPRGKRZSA-N 1 2 337.376 1.132 20 5 EDBDLO CCOc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188756192 442805898 /nfs/dbraw/zinc/80/58/98/442805898.db2.gz CPTVLUAUHAJPDN-LBPRGKRZSA-N 1 2 337.376 1.132 20 5 EDBDLO COC[C@](C)(CCO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182831728 442832548 /nfs/dbraw/zinc/83/25/48/442832548.db2.gz QXJVCKSFICNWKK-INIZCTEOSA-N 1 2 348.359 1.298 20 5 EDBDLO Cc1nn(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000183362366 442924711 /nfs/dbraw/zinc/92/47/11/442924711.db2.gz OGHNIAZKVRBODC-LBPRGKRZSA-N 1 2 339.396 1.998 20 5 EDBDLO Cc1nn(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000183362366 442924713 /nfs/dbraw/zinc/92/47/13/442924713.db2.gz OGHNIAZKVRBODC-LBPRGKRZSA-N 1 2 339.396 1.998 20 5 EDBDLO C[C@H](O)CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000253356042 443050185 /nfs/dbraw/zinc/05/01/85/443050185.db2.gz XOUAWQPFAKDDMV-CABCVRRESA-N 1 2 337.420 1.751 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000184394880 443016985 /nfs/dbraw/zinc/01/69/85/443016985.db2.gz YJQAHXIELMOLGD-CQSZACIVSA-N 1 2 348.403 1.504 20 5 EDBDLO C[C@H](O)CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000253356042 443050182 /nfs/dbraw/zinc/05/01/82/443050182.db2.gz XOUAWQPFAKDDMV-CABCVRRESA-N 1 2 337.420 1.751 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000190376838 443096317 /nfs/dbraw/zinc/09/63/17/443096317.db2.gz RKEMIXCJJDHVCI-TVQRCGJNSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000190376838 443096319 /nfs/dbraw/zinc/09/63/19/443096319.db2.gz RKEMIXCJJDHVCI-TVQRCGJNSA-N 1 2 327.768 1.889 20 5 EDBDLO CC(C)N1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000272475486 443331838 /nfs/dbraw/zinc/33/18/38/443331838.db2.gz AKNHUUJGTOTEHU-UHFFFAOYSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(C)N1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000272475486 443331842 /nfs/dbraw/zinc/33/18/42/443331842.db2.gz AKNHUUJGTOTEHU-UHFFFAOYSA-N 1 2 334.376 1.476 20 5 EDBDLO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000283361381 443612154 /nfs/dbraw/zinc/61/21/54/443612154.db2.gz RPGKTZDOTIYIKC-UHFFFAOYSA-N 1 2 339.348 1.045 20 5 EDBDLO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000283361381 443612157 /nfs/dbraw/zinc/61/21/57/443612157.db2.gz RPGKTZDOTIYIKC-UHFFFAOYSA-N 1 2 339.348 1.045 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611009126 450404957 /nfs/dbraw/zinc/40/49/57/450404957.db2.gz UBOXAXZCLFTGIL-UHFFFAOYSA-N 1 2 343.343 1.674 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2c[nH]nc2C1 ZINC000611009126 450404960 /nfs/dbraw/zinc/40/49/60/450404960.db2.gz UBOXAXZCLFTGIL-UHFFFAOYSA-N 1 2 343.343 1.674 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000298561771 443799849 /nfs/dbraw/zinc/79/98/49/443799849.db2.gz JJKGKMWSWOBQJV-CYBMUJFWSA-N 1 2 342.417 1.730 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000298561771 443799853 /nfs/dbraw/zinc/79/98/53/443799853.db2.gz JJKGKMWSWOBQJV-CYBMUJFWSA-N 1 2 342.417 1.730 20 5 EDBDLO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000276980154 443883141 /nfs/dbraw/zinc/88/31/41/443883141.db2.gz SOTXBINOGUMWFE-UHFFFAOYSA-N 1 2 328.328 1.692 20 5 EDBDLO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000276980154 443883143 /nfs/dbraw/zinc/88/31/43/443883143.db2.gz SOTXBINOGUMWFE-UHFFFAOYSA-N 1 2 328.328 1.692 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000293096662 443923379 /nfs/dbraw/zinc/92/33/79/443923379.db2.gz KTNUAHROSBOLSY-CYBMUJFWSA-N 1 2 342.417 1.463 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000293096662 443923383 /nfs/dbraw/zinc/92/33/83/443923383.db2.gz KTNUAHROSBOLSY-CYBMUJFWSA-N 1 2 342.417 1.463 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000285570768 444032770 /nfs/dbraw/zinc/03/27/70/444032770.db2.gz AHGHCABZEWMEAF-RHSMWYFYSA-N 1 2 347.415 1.849 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000281890394 444032924 /nfs/dbraw/zinc/03/29/24/444032924.db2.gz OQCJQQJQUVXKAO-LBPRGKRZSA-N 1 2 330.348 1.504 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000285664078 444064381 /nfs/dbraw/zinc/06/43/81/444064381.db2.gz FMZBRDZDHKPXDG-JQWIXIFHSA-N 1 2 325.390 1.592 20 5 EDBDLO O=c1[nH]cnc2cc(NCC3([NH+]4CCOCC4)CC3)c([N+](=O)[O-])cc21 ZINC000566046794 321211510 /nfs/dbraw/zinc/21/15/10/321211510.db2.gz BLOTYBHMSKUYOV-UHFFFAOYSA-N 1 2 345.359 1.520 20 5 EDBDLO CCc1ccc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000567608783 321248200 /nfs/dbraw/zinc/24/82/00/321248200.db2.gz NGSHCBNIXZSHMJ-NSHDSACASA-N 1 2 338.389 1.721 20 5 EDBDLO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)ccc1[N+](=O)[O-] ZINC000289358366 444117091 /nfs/dbraw/zinc/11/70/91/444117091.db2.gz GYAXRDXMOYCCKW-LBPRGKRZSA-N 1 2 347.375 1.785 20 5 EDBDLO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)ccc1[N+](=O)[O-] ZINC000289358366 444117094 /nfs/dbraw/zinc/11/70/94/444117094.db2.gz GYAXRDXMOYCCKW-LBPRGKRZSA-N 1 2 347.375 1.785 20 5 EDBDLO NC(=O)[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289442118 444145498 /nfs/dbraw/zinc/14/54/98/444145498.db2.gz TZAQTIOKTVEEPM-ZDUSSCGKSA-N 1 2 348.186 1.714 20 5 EDBDLO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289442118 444145501 /nfs/dbraw/zinc/14/55/01/444145501.db2.gz TZAQTIOKTVEEPM-ZDUSSCGKSA-N 1 2 348.186 1.714 20 5 EDBDLO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1cccc([N+](=O)[O-])c1 ZINC000301315078 444163173 /nfs/dbraw/zinc/16/31/73/444163173.db2.gz LUPLDUIYFAIIKB-UHFFFAOYSA-N 1 2 342.315 1.520 20 5 EDBDLO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000301377136 444168115 /nfs/dbraw/zinc/16/81/15/444168115.db2.gz YASMCYVKAYTTAQ-LLVKDONJSA-N 1 2 327.406 1.529 20 5 EDBDLO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000301377136 444168118 /nfs/dbraw/zinc/16/81/18/444168118.db2.gz YASMCYVKAYTTAQ-LLVKDONJSA-N 1 2 327.406 1.529 20 5 EDBDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000285832431 444123551 /nfs/dbraw/zinc/12/35/51/444123551.db2.gz WYWMNKRPLZNXPM-CHWSQXEVSA-N 1 2 336.352 1.071 20 5 EDBDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000285832431 444123555 /nfs/dbraw/zinc/12/35/55/444123555.db2.gz WYWMNKRPLZNXPM-CHWSQXEVSA-N 1 2 336.352 1.071 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000289667673 444188792 /nfs/dbraw/zinc/18/87/92/444188792.db2.gz OVZRHWRTKWKKPM-CYBMUJFWSA-N 1 2 345.407 1.620 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000289667673 444188794 /nfs/dbraw/zinc/18/87/94/444188794.db2.gz OVZRHWRTKWKKPM-CYBMUJFWSA-N 1 2 345.407 1.620 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000290365352 444272303 /nfs/dbraw/zinc/27/23/03/444272303.db2.gz DPPSNFQTHJSVEM-UHFFFAOYSA-N 1 2 345.359 1.499 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC000302881826 444229064 /nfs/dbraw/zinc/22/90/64/444229064.db2.gz IGVNXJBJPIRLAR-UHFFFAOYSA-N 1 2 341.371 1.784 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC000302881826 444229067 /nfs/dbraw/zinc/22/90/67/444229067.db2.gz IGVNXJBJPIRLAR-UHFFFAOYSA-N 1 2 341.371 1.784 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000578008021 321706204 /nfs/dbraw/zinc/70/62/04/321706204.db2.gz RHPUYEDTLXHQKU-UHFFFAOYSA-N 1 2 346.343 1.877 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000321324422 444335135 /nfs/dbraw/zinc/33/51/35/444335135.db2.gz GGDGJKXQTMVRQU-GFCCVEGCSA-N 1 2 339.779 1.795 20 5 EDBDLO O=C1O[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC12CCC2 ZINC000298089977 444411812 /nfs/dbraw/zinc/41/18/12/444411812.db2.gz MNRLKMPPDNOXHV-ZDUSSCGKSA-N 1 2 346.387 1.598 20 5 EDBDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298105209 444417506 /nfs/dbraw/zinc/41/75/06/444417506.db2.gz NTOXFSLHEJLMNT-CQSZACIVSA-N 1 2 347.419 1.370 20 5 EDBDLO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331728844 444484630 /nfs/dbraw/zinc/48/46/30/444484630.db2.gz NWCOQCMOZBYNFJ-KRWDZBQOSA-N 1 2 349.387 1.250 20 5 EDBDLO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331728844 444484633 /nfs/dbraw/zinc/48/46/33/444484633.db2.gz NWCOQCMOZBYNFJ-KRWDZBQOSA-N 1 2 349.387 1.250 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332154555 444502424 /nfs/dbraw/zinc/50/24/24/444502424.db2.gz NOTZSIRULINEQA-LLVKDONJSA-N 1 2 347.379 1.066 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341127277 444687871 /nfs/dbraw/zinc/68/78/71/444687871.db2.gz OIULIUHDCROXIN-ZDUSSCGKSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341127277 444687873 /nfs/dbraw/zinc/68/78/73/444687873.db2.gz OIULIUHDCROXIN-ZDUSSCGKSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351779564 445319058 /nfs/dbraw/zinc/31/90/58/445319058.db2.gz VESWISMNBHYKLP-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351779564 445319062 /nfs/dbraw/zinc/31/90/62/445319062.db2.gz VESWISMNBHYKLP-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000354681086 445338067 /nfs/dbraw/zinc/33/80/67/445338067.db2.gz YQMXNRWWPAKORV-OCCSQVGLSA-N 1 2 348.403 1.912 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000354681086 445338070 /nfs/dbraw/zinc/33/80/70/445338070.db2.gz YQMXNRWWPAKORV-OCCSQVGLSA-N 1 2 348.403 1.912 20 5 EDBDLO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000348281466 445338558 /nfs/dbraw/zinc/33/85/58/445338558.db2.gz AICXHYDZIQQWLL-JTQLQIEISA-N 1 2 331.419 1.514 20 5 EDBDLO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000348281466 445338560 /nfs/dbraw/zinc/33/85/60/445338560.db2.gz AICXHYDZIQQWLL-JTQLQIEISA-N 1 2 331.419 1.514 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000351904852 445366472 /nfs/dbraw/zinc/36/64/72/445366472.db2.gz 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CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000362892207 445598475 /nfs/dbraw/zinc/59/84/75/445598475.db2.gz DZOXLZQXRLJOCM-CQSZACIVSA-N 1 2 327.406 1.556 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000362892207 445598478 /nfs/dbraw/zinc/59/84/78/445598478.db2.gz DZOXLZQXRLJOCM-CQSZACIVSA-N 1 2 327.406 1.556 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000353748665 445738251 /nfs/dbraw/zinc/73/82/51/445738251.db2.gz CGKBVCMHUKXPMR-TZMCWYRMSA-N 1 2 343.330 1.711 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000353748665 445738253 /nfs/dbraw/zinc/73/82/53/445738253.db2.gz CGKBVCMHUKXPMR-TZMCWYRMSA-N 1 2 343.330 1.711 20 5 EDBDLO CCc1cnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000350059326 445759712 /nfs/dbraw/zinc/75/97/12/445759712.db2.gz KMDVQJIKXZUZDC-UHFFFAOYSA-N 1 2 336.421 1.632 20 5 EDBDLO COc1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353809272 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327.406 1.669 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000363537463 445849366 /nfs/dbraw/zinc/84/93/66/445849366.db2.gz YTFNTRXHWADHTB-RISCZKNCSA-N 1 2 327.406 1.669 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000350939130 445954197 /nfs/dbraw/zinc/95/41/97/445954197.db2.gz LODYUJDGWHKOBZ-NXEZZACHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000350939130 445954201 /nfs/dbraw/zinc/95/42/01/445954201.db2.gz LODYUJDGWHKOBZ-NXEZZACHSA-N 1 2 347.824 1.961 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000356742770 445981902 /nfs/dbraw/zinc/98/19/02/445981902.db2.gz UAXJYYMPEUCZMR-UHFFFAOYSA-N 1 2 346.391 1.857 20 5 EDBDLO Cn1c(C(=O)NCC2CC[NH+](CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000583950654 326172038 /nfs/dbraw/zinc/17/20/38/326172038.db2.gz MVXUXVILDKSAAE-UHFFFAOYSA-N 1 2 330.335 1.640 20 5 EDBDLO C[NH+]1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)CC1 ZINC000373255405 446127912 /nfs/dbraw/zinc/12/79/12/446127912.db2.gz LIBXRMGMTWFVSJ-UHFFFAOYSA-N 1 2 345.359 2.016 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000366658801 446297183 /nfs/dbraw/zinc/29/71/83/446297183.db2.gz YYEQGFXYWZHEAW-XJKSGUPXSA-N 1 2 335.404 1.756 20 5 EDBDLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2N1 ZINC000366807851 446361506 /nfs/dbraw/zinc/36/15/06/446361506.db2.gz MSSGTZUJBHVPFC-DGCLKSJQSA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2N1 ZINC000366807851 446361509 /nfs/dbraw/zinc/36/15/09/446361509.db2.gz MSSGTZUJBHVPFC-DGCLKSJQSA-N 1 2 325.752 1.338 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3c([nH+]cn3C)C2)c1 ZINC000370752601 446416916 /nfs/dbraw/zinc/41/69/16/446416916.db2.gz GSVWQHKZIFOQQR-UHFFFAOYSA-N 1 2 344.371 1.991 20 5 EDBDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC000420441449 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1 2 328.756 1.382 20 5 EDBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000839612087 593356981 /nfs/dbraw/zinc/35/69/81/593356981.db2.gz AQENNYFOWOMHOL-UHFFFAOYSA-N 1 2 328.756 1.382 20 5 EDBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CCn2c[nH+]cc2C1 ZINC000811787095 593482066 /nfs/dbraw/zinc/48/20/66/593482066.db2.gz CPIVRYXVXDKJIZ-UHFFFAOYSA-N 1 2 342.315 1.081 20 5 EDBDLO Cn1ncc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813174582 593521528 /nfs/dbraw/zinc/52/15/28/593521528.db2.gz YKJDTMLATUVEHM-ZDUSSCGKSA-N 1 2 331.332 1.155 20 5 EDBDLO Cn1ncc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813174582 593521529 /nfs/dbraw/zinc/52/15/29/593521529.db2.gz YKJDTMLATUVEHM-ZDUSSCGKSA-N 1 2 331.332 1.155 20 5 EDBDLO C[C@@H](O)c1cn(C2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000840283573 593522985 /nfs/dbraw/zinc/52/29/85/593522985.db2.gz PWIIDFURLXATCF-SNVBAGLBSA-N 1 2 340.343 1.849 20 5 EDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817753681 593628828 /nfs/dbraw/zinc/62/88/28/593628828.db2.gz YDCFQSHJKSJQRM-ZDUSSCGKSA-N 1 2 346.343 1.380 20 5 EDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832415728 594748792 /nfs/dbraw/zinc/74/87/92/594748792.db2.gz VSVMFUVOCHRWCY-NSHDSACASA-N 1 2 345.396 1.839 20 5 EDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832415728 594748793 /nfs/dbraw/zinc/74/87/93/594748793.db2.gz VSVMFUVOCHRWCY-NSHDSACASA-N 1 2 345.396 1.839 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000833924413 594966636 /nfs/dbraw/zinc/96/66/36/594966636.db2.gz OCVPRPMVKDPLCQ-KGLIPLIRSA-N 1 2 344.371 1.971 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000833924415 594966762 /nfs/dbraw/zinc/96/67/62/594966762.db2.gz OCVPRPMVKDPLCQ-ZIAGYGMSSA-N 1 2 344.371 1.971 20 5 EDBDLO COC(=O)[C@@H](C)C[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000102652828 595017315 /nfs/dbraw/zinc/01/73/15/595017315.db2.gz JFPSWMNILWFCNH-JTQLQIEISA-N 1 2 349.343 1.734 20 5 EDBDLO COC(=O)[C@@H](C)C[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000102652828 595017316 /nfs/dbraw/zinc/01/73/16/595017316.db2.gz JFPSWMNILWFCNH-JTQLQIEISA-N 1 2 349.343 1.734 20 5 EDBDLO CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)cn2)CC1 ZINC000842492704 595121949 /nfs/dbraw/zinc/12/19/49/595121949.db2.gz IWBVOXPCYVOOQD-CHWSQXEVSA-N 1 2 344.375 1.406 20 5 EDBDLO CC(=O)NCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000842634982 595151889 /nfs/dbraw/zinc/15/18/89/595151889.db2.gz JBLWMOCBCKMLDF-UHFFFAOYSA-N 1 2 325.756 1.623 20 5 EDBDLO CC(=O)NCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000842634982 595151892 /nfs/dbraw/zinc/15/18/92/595151892.db2.gz JBLWMOCBCKMLDF-UHFFFAOYSA-N 1 2 325.756 1.623 20 5 EDBDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000842961435 595243753 /nfs/dbraw/zinc/24/37/53/595243753.db2.gz BVAPCNYQHBKNKF-WFASDCNBSA-N 1 2 338.360 1.487 20 5 EDBDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000842961435 595243755 /nfs/dbraw/zinc/24/37/55/595243755.db2.gz BVAPCNYQHBKNKF-WFASDCNBSA-N 1 2 338.360 1.487 20 5 EDBDLO CC(=O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000846950516 595341836 /nfs/dbraw/zinc/34/18/36/595341836.db2.gz NZAWSFFOUMJNJA-UHFFFAOYSA-N 1 2 331.372 1.785 20 5 EDBDLO O=C1N(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCN1c1ccccc1[N+](=O)[O-] ZINC000844755421 595390212 /nfs/dbraw/zinc/39/02/12/595390212.db2.gz HSPHDAVDLGZDKA-PHIMTYICSA-N 1 2 338.314 1.991 20 5 EDBDLO O=C1N(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCN1c1ccccc1[N+](=O)[O-] ZINC000844755421 595390214 /nfs/dbraw/zinc/39/02/14/595390214.db2.gz HSPHDAVDLGZDKA-PHIMTYICSA-N 1 2 338.314 1.991 20 5 EDBDLO CCN1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1=O ZINC000848485029 595391814 /nfs/dbraw/zinc/39/18/14/595391814.db2.gz IKNGXOWLFOHSGM-UHFFFAOYSA-N 1 2 343.387 1.970 20 5 EDBDLO CCN1CCC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1=O ZINC000848485029 595391817 /nfs/dbraw/zinc/39/18/17/595391817.db2.gz IKNGXOWLFOHSGM-UHFFFAOYSA-N 1 2 343.387 1.970 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000849407263 595521820 /nfs/dbraw/zinc/52/18/20/595521820.db2.gz IBZKGNLGYQNIDP-UHFFFAOYSA-N 1 2 328.325 1.586 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000849407263 595521821 /nfs/dbraw/zinc/52/18/21/595521821.db2.gz IBZKGNLGYQNIDP-UHFFFAOYSA-N 1 2 328.325 1.586 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000855405946 595696502 /nfs/dbraw/zinc/69/65/02/595696502.db2.gz BCRROROPQKEXMS-GHMZBOCLSA-N 1 2 339.367 1.881 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000855405946 595696504 /nfs/dbraw/zinc/69/65/04/595696504.db2.gz BCRROROPQKEXMS-GHMZBOCLSA-N 1 2 339.367 1.881 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853586330 595815598 /nfs/dbraw/zinc/81/55/98/595815598.db2.gz PPTIMPMKSKUTIR-GHMZBOCLSA-N 1 2 331.328 1.117 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853586330 595815600 /nfs/dbraw/zinc/81/56/00/595815600.db2.gz PPTIMPMKSKUTIR-GHMZBOCLSA-N 1 2 331.328 1.117 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000858685946 595864793 /nfs/dbraw/zinc/86/47/93/595864793.db2.gz JKYCKHWWUDPWBD-INIZCTEOSA-N 1 2 339.367 1.762 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000858685946 595864796 /nfs/dbraw/zinc/86/47/96/595864796.db2.gz JKYCKHWWUDPWBD-INIZCTEOSA-N 1 2 339.367 1.762 20 5 EDBDLO COC(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000851726215 595898637 /nfs/dbraw/zinc/89/86/37/595898637.db2.gz NQMBJXMJYQVPFE-UHFFFAOYSA-N 1 2 343.405 1.423 20 5 EDBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856280145 595941155 /nfs/dbraw/zinc/94/11/55/595941155.db2.gz JXKNTSLOLVHWED-MRVPVSSYSA-N 1 2 349.322 1.917 20 5 EDBDLO C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000851856605 595949211 /nfs/dbraw/zinc/94/92/11/595949211.db2.gz WEHMGZIBHLWKMF-QMMMGPOBSA-N 1 2 328.325 1.507 20 5 EDBDLO COc1cc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000851856207 595949464 /nfs/dbraw/zinc/94/94/64/595949464.db2.gz KZOGJQFEMTXEBK-SECBINFHSA-N 1 2 340.361 1.376 20 5 EDBDLO Cc1nc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000856530577 596011535 /nfs/dbraw/zinc/01/15/35/596011535.db2.gz LJWBYYOCRNUYEH-UONOGXRCSA-N 1 2 341.371 1.653 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856533480 596012378 /nfs/dbraw/zinc/01/23/78/596012378.db2.gz GVLPEGMOODAGIH-DLBZAZTESA-N 1 2 340.383 1.945 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856533480 596012382 /nfs/dbraw/zinc/01/23/82/596012382.db2.gz GVLPEGMOODAGIH-DLBZAZTESA-N 1 2 340.383 1.945 20 5 EDBDLO C[N@H+](CCC1CCOCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000121115586 596242938 /nfs/dbraw/zinc/24/29/38/596242938.db2.gz ZCVGWTKRRMJNHU-UHFFFAOYSA-N 1 2 347.371 1.897 20 5 EDBDLO C[N@@H+](CCC1CCOCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000121115586 596242939 /nfs/dbraw/zinc/24/29/39/596242939.db2.gz ZCVGWTKRRMJNHU-UHFFFAOYSA-N 1 2 347.371 1.897 20 5 EDBDLO CC(C)[NH+]1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000879654738 597675236 /nfs/dbraw/zinc/67/52/36/597675236.db2.gz PRHRXLRUOYRJDT-UHFFFAOYSA-N 1 2 335.360 1.579 20 5 EDBDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000919944331 697369685 /nfs/dbraw/zinc/36/96/85/697369685.db2.gz SGHHBPMFDIFIQH-ZDUSSCGKSA-N 1 2 344.375 1.803 20 5 EDBDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000919944331 697369687 /nfs/dbraw/zinc/36/96/87/697369687.db2.gz SGHHBPMFDIFIQH-ZDUSSCGKSA-N 1 2 344.375 1.803 20 5 EDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC000996442066 702771641 /nfs/dbraw/zinc/77/16/41/702771641.db2.gz UYTJTPGYGBDJIX-CHWSQXEVSA-N 1 2 349.391 1.083 20 5 EDBDLO CNC(=O)CCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171920994 529857269 /nfs/dbraw/zinc/85/72/69/529857269.db2.gz XWTLBRMDLFYIPE-UHFFFAOYSA-N 1 2 329.360 1.933 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCn3c[nH+]cc3C2)c1F ZINC000412362369 304001665 /nfs/dbraw/zinc/00/16/65/304001665.db2.gz IJQYTBSWCJXHAU-UHFFFAOYSA-N 1 2 334.307 1.524 20 5 EDBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000104597743 219397754 /nfs/dbraw/zinc/39/77/54/219397754.db2.gz MFMREXOJJOVPTH-QWRGUYRKSA-N 1 2 325.340 1.573 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000183242719 234970267 /nfs/dbraw/zinc/97/02/67/234970267.db2.gz BKWIYXAEHQAIKG-UHFFFAOYSA-N 1 2 332.404 1.299 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000195343791 139015092 /nfs/dbraw/zinc/01/50/92/139015092.db2.gz PUDMRRSCJJCYLL-ZDUSSCGKSA-N 1 2 325.413 1.888 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000110921547 220080489 /nfs/dbraw/zinc/08/04/89/220080489.db2.gz LAFLRZYOKLLIRJ-UHFFFAOYSA-N 1 2 337.376 1.398 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000094093699 218265046 /nfs/dbraw/zinc/26/50/46/218265046.db2.gz ZUHVNZXBKHMPAB-UHFFFAOYSA-N 1 2 335.404 1.924 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCNc1cccc[nH+]1 ZINC000263817710 139362452 /nfs/dbraw/zinc/36/24/52/139362452.db2.gz WQVZKMVQSXBQOB-UHFFFAOYSA-N 1 2 330.348 1.788 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491449259 255125812 /nfs/dbraw/zinc/12/58/12/255125812.db2.gz OBMUFGMXKTZGSD-HYXAFXHYSA-N 1 2 337.351 1.538 20 5 EDBDLO Cc1nn(C)c(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000263884612 139367212 /nfs/dbraw/zinc/36/72/12/139367212.db2.gz OQAHIFRCFUNTKT-UHFFFAOYSA-N 1 2 336.421 1.806 20 5 EDBDLO Cc1nn(C)c(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000263884612 139367213 /nfs/dbraw/zinc/36/72/13/139367213.db2.gz OQAHIFRCFUNTKT-UHFFFAOYSA-N 1 2 336.421 1.806 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264223090 139388135 /nfs/dbraw/zinc/38/81/35/139388135.db2.gz HKFKTZJYKICYGT-QWHCGFSZSA-N 1 2 337.376 1.199 20 5 EDBDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000264318280 139396723 /nfs/dbraw/zinc/39/67/23/139396723.db2.gz MSHAHTYHLGOPHO-LBPRGKRZSA-N 1 2 336.348 1.551 20 5 EDBDLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000270574423 140126809 /nfs/dbraw/zinc/12/68/09/140126809.db2.gz VWDIBRIUOWJGMC-LLVKDONJSA-N 1 2 327.406 1.493 20 5 EDBDLO O=C(C[N@@H+]1CCCSCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000270712079 140153261 /nfs/dbraw/zinc/15/32/61/140153261.db2.gz YSJDONAJKDUZFZ-UHFFFAOYSA-N 1 2 339.373 1.701 20 5 EDBDLO O=C(C[N@H+]1CCCSCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000270712079 140153262 /nfs/dbraw/zinc/15/32/62/140153262.db2.gz YSJDONAJKDUZFZ-UHFFFAOYSA-N 1 2 339.373 1.701 20 5 EDBDLO C[C@@H](c1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000270790917 140170161 /nfs/dbraw/zinc/17/01/61/140170161.db2.gz RIPRISWTVROLJA-NSHDSACASA-N 1 2 345.359 1.963 20 5 EDBDLO CN(C(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000270845035 140180910 /nfs/dbraw/zinc/18/09/10/140180910.db2.gz FTRGXUKHMCYAFH-OAHLLOKOSA-N 1 2 346.387 1.254 20 5 EDBDLO CN(C(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000270845035 140180911 /nfs/dbraw/zinc/18/09/11/140180911.db2.gz FTRGXUKHMCYAFH-OAHLLOKOSA-N 1 2 346.387 1.254 20 5 EDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000331421945 141023425 /nfs/dbraw/zinc/02/34/25/141023425.db2.gz UIQWVAREMBLWRS-LLVKDONJSA-N 1 2 332.364 1.157 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332251259 141147007 /nfs/dbraw/zinc/14/70/07/141147007.db2.gz SKCPYFWUZGPZQY-JTQLQIEISA-N 1 2 346.391 1.567 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000345819982 143136745 /nfs/dbraw/zinc/13/67/45/143136745.db2.gz WRAWJASMOVMOKF-ARFHVFGLSA-N 1 2 336.388 1.965 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000345819982 143136746 /nfs/dbraw/zinc/13/67/46/143136746.db2.gz WRAWJASMOVMOKF-ARFHVFGLSA-N 1 2 336.388 1.965 20 5 EDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000345824790 143137262 /nfs/dbraw/zinc/13/72/62/143137262.db2.gz CIEOYYJPJWXLHJ-AWEZNQCLSA-N 1 2 343.387 1.990 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000346895203 143257359 /nfs/dbraw/zinc/25/73/59/143257359.db2.gz JVQWUOFVCPCKLC-JQWIXIFHSA-N 1 2 348.363 1.787 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000346895203 143257360 /nfs/dbraw/zinc/25/73/60/143257360.db2.gz JVQWUOFVCPCKLC-JQWIXIFHSA-N 1 2 348.363 1.787 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352797567 149169125 /nfs/dbraw/zinc/16/91/25/149169125.db2.gz BKXXVAHLYYLJAG-WQHBLYJGSA-N 1 2 343.767 1.267 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352797567 149169127 /nfs/dbraw/zinc/16/91/27/149169127.db2.gz BKXXVAHLYYLJAG-WQHBLYJGSA-N 1 2 343.767 1.267 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(OCC(F)F)C2)c1 ZINC000353020728 149255144 /nfs/dbraw/zinc/25/51/44/149255144.db2.gz CWNAKBOXMOXAEC-NSHDSACASA-N 1 2 332.303 1.300 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000353403186 149392726 /nfs/dbraw/zinc/39/27/26/149392726.db2.gz LRCBKCOKYFRGNJ-SWLSCSKDSA-N 1 2 329.360 1.286 20 5 EDBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)cc2c1OCO2 ZINC000357543033 151061757 /nfs/dbraw/zinc/06/17/57/151061757.db2.gz CMYTZPWEFKIRIY-NSHDSACASA-N 1 2 345.315 1.046 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000357564197 151068559 /nfs/dbraw/zinc/06/85/59/151068559.db2.gz BESLLYQGJYDEQI-ABAIWWIYSA-N 1 2 337.376 1.635 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000357564197 151068561 /nfs/dbraw/zinc/06/85/61/151068561.db2.gz BESLLYQGJYDEQI-ABAIWWIYSA-N 1 2 337.376 1.635 20 5 EDBDLO Cc1nc(C)n(C[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000357840230 151168531 /nfs/dbraw/zinc/16/85/31/151168531.db2.gz RKBOGCYZEBBFRW-QGZVFWFLSA-N 1 2 345.403 1.747 20 5 EDBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000357840230 151168534 /nfs/dbraw/zinc/16/85/34/151168534.db2.gz RKBOGCYZEBBFRW-QGZVFWFLSA-N 1 2 345.403 1.747 20 5 EDBDLO CN(Cc1nc(Cc2c[nH+]cn2C)no1)c1ccccc1[N+](=O)[O-] ZINC000357939870 151203478 /nfs/dbraw/zinc/20/34/78/151203478.db2.gz VMOWULBTAIRABA-UHFFFAOYSA-N 1 2 328.332 1.939 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000363664922 153023997 /nfs/dbraw/zinc/02/39/97/153023997.db2.gz LGVQDFCLXUOLRL-UHFFFAOYSA-N 1 2 343.343 1.389 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCO[C@H]3CCOC[C@H]32)c([N+](=O)[O-])c1 ZINC000367820772 154283837 /nfs/dbraw/zinc/28/38/37/154283837.db2.gz DPEGZEHFDWLVNH-ZBFHGGJFSA-N 1 2 338.360 1.472 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCO[C@H]3CCOC[C@H]32)c([N+](=O)[O-])c1 ZINC000367820772 154283840 /nfs/dbraw/zinc/28/38/40/154283840.db2.gz DPEGZEHFDWLVNH-ZBFHGGJFSA-N 1 2 338.360 1.472 20 5 EDBDLO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369503223 155062216 /nfs/dbraw/zinc/06/22/16/155062216.db2.gz JKOJWJRUABDAJZ-GFCCVEGCSA-N 1 2 330.344 1.549 20 5 EDBDLO COc1cc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418194 162171263 /nfs/dbraw/zinc/17/12/63/162171263.db2.gz ZYZHLVBZJGJWGU-WDEREUQCSA-N 1 2 330.406 1.857 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418194 162171264 /nfs/dbraw/zinc/17/12/64/162171264.db2.gz ZYZHLVBZJGJWGU-WDEREUQCSA-N 1 2 330.406 1.857 20 5 EDBDLO COc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000352546339 162244126 /nfs/dbraw/zinc/24/41/26/162244126.db2.gz TVRRVRVZRMLSET-LBPRGKRZSA-N 1 2 328.390 1.470 20 5 EDBDLO COc1cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000352546339 162244128 /nfs/dbraw/zinc/24/41/28/162244128.db2.gz TVRRVRVZRMLSET-LBPRGKRZSA-N 1 2 328.390 1.470 20 5 EDBDLO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c[nH+]1 ZINC000127045940 287432210 /nfs/dbraw/zinc/43/22/10/287432210.db2.gz SNAAFBXLVBFWGS-UHFFFAOYSA-N 1 2 345.359 1.867 20 5 EDBDLO O=C1OCC[C@@]12CCC[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275091148 273100105 /nfs/dbraw/zinc/10/01/05/273100105.db2.gz HTZLIOZQERCFHO-WBMJQRKESA-N 1 2 336.344 1.116 20 5 EDBDLO O=C1OCC[C@@]12CCC[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275091148 273100106 /nfs/dbraw/zinc/10/01/06/273100106.db2.gz HTZLIOZQERCFHO-WBMJQRKESA-N 1 2 336.344 1.116 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043892886 272910804 /nfs/dbraw/zinc/91/08/04/272910804.db2.gz ABBPUFDYDHXVRT-GFCCVEGCSA-N 1 2 332.364 1.591 20 5 EDBDLO C[C@@]1(C(N)=O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000279994657 273338397 /nfs/dbraw/zinc/33/83/97/273338397.db2.gz JRRKINLZBXIFKZ-MRXNPFEDSA-N 1 2 343.343 1.118 20 5 EDBDLO CN(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1c[nH+]cn1C ZINC000280814711 273402091 /nfs/dbraw/zinc/40/20/91/273402091.db2.gz ROMAEVRWYCIBOW-HNNXBMFYSA-N 1 2 346.391 1.159 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000284040935 274057681 /nfs/dbraw/zinc/05/76/81/274057681.db2.gz KJIVBBPBHXAGRH-HIFRSBDPSA-N 1 2 345.355 1.886 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000284040935 274057683 /nfs/dbraw/zinc/05/76/83/274057683.db2.gz KJIVBBPBHXAGRH-HIFRSBDPSA-N 1 2 345.355 1.886 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000284380018 274181765 /nfs/dbraw/zinc/18/17/65/274181765.db2.gz FKQVBQGXFRYDNP-JKSUJKDBSA-N 1 2 349.387 1.366 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000284380018 274181767 /nfs/dbraw/zinc/18/17/67/274181767.db2.gz FKQVBQGXFRYDNP-JKSUJKDBSA-N 1 2 349.387 1.366 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000288079017 288398056 /nfs/dbraw/zinc/39/80/56/288398056.db2.gz HQUUKQCOAATYGB-UHFFFAOYSA-N 1 2 346.391 1.963 20 5 EDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000350932386 300286374 /nfs/dbraw/zinc/28/63/74/300286374.db2.gz BGPZBXSCILHEBL-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000350932386 300286377 /nfs/dbraw/zinc/28/63/77/300286377.db2.gz BGPZBXSCILHEBL-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294345038 303094784 /nfs/dbraw/zinc/09/47/84/303094784.db2.gz UHXZWNWNXRJIQP-UHFFFAOYSA-N 1 2 345.359 1.910 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)o1 ZINC000295291579 303200317 /nfs/dbraw/zinc/20/03/17/303200317.db2.gz JLDFKYNEXVUMFK-VIFPVBQESA-N 1 2 345.315 1.792 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)o1 ZINC000295291579 303200318 /nfs/dbraw/zinc/20/03/18/303200318.db2.gz JLDFKYNEXVUMFK-VIFPVBQESA-N 1 2 345.315 1.792 20 5 EDBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(N)nc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000299029668 303580255 /nfs/dbraw/zinc/58/02/55/303580255.db2.gz RHZHSHSJSCGFDI-JTQLQIEISA-N 1 2 331.380 1.587 20 5 EDBDLO O=[N+]([O-])c1c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)nc2sccn21 ZINC000302779541 303734098 /nfs/dbraw/zinc/73/40/98/303734098.db2.gz QTIHSWHVYQVROE-JTQLQIEISA-N 1 2 348.388 1.977 20 5 EDBDLO CCN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000433468733 305110149 /nfs/dbraw/zinc/11/01/49/305110149.db2.gz FRUKPSIUVCDTMJ-CYBMUJFWSA-N 1 2 344.375 1.419 20 5 EDBDLO CC[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000447816676 305286203 /nfs/dbraw/zinc/28/62/03/305286203.db2.gz MGCWGFFNAZTBRN-RHSMWYFYSA-N 1 2 335.404 1.634 20 5 EDBDLO CCOC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448882516 305302776 /nfs/dbraw/zinc/30/27/76/305302776.db2.gz DIRJUFJDMIUYJW-UHFFFAOYSA-N 1 2 346.343 1.852 20 5 EDBDLO C[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1cc[nH+]c1 ZINC000522004031 305797409 /nfs/dbraw/zinc/79/74/09/305797409.db2.gz MQPQQNCKTUCWQZ-SNVBAGLBSA-N 1 2 328.332 1.935 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000547834274 306112896 /nfs/dbraw/zinc/11/28/96/306112896.db2.gz OACDBHOEXSDLEA-UHFFFAOYSA-N 1 2 335.389 1.348 20 5 EDBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735372 306136388 /nfs/dbraw/zinc/13/63/88/306136388.db2.gz AOMOERPCERNDQW-UHFFFAOYSA-N 1 2 331.332 1.402 20 5 EDBDLO CNc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000557093406 306223750 /nfs/dbraw/zinc/22/37/50/306223750.db2.gz NOAMRPBDIROAHO-TZMCWYRMSA-N 1 2 348.403 1.572 20 5 EDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCOC1 ZINC000449961030 447420193 /nfs/dbraw/zinc/42/01/93/447420193.db2.gz OVLQBWXNFDITPF-DGCLKSJQSA-N 1 2 330.344 1.935 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000057913518 441143831 /nfs/dbraw/zinc/14/38/31/441143831.db2.gz SOMBTGODOMZVDK-ZDUSSCGKSA-N 1 2 345.346 1.217 20 5 EDBDLO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000014191529 441177541 /nfs/dbraw/zinc/17/75/41/441177541.db2.gz JHDRLAPSNALSOV-UHFFFAOYSA-N 1 2 344.371 1.944 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000047151470 441160762 /nfs/dbraw/zinc/16/07/62/441160762.db2.gz NKQPMNVQIRRDCD-CYBMUJFWSA-N 1 2 336.392 1.234 20 5 EDBDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744225 441223981 /nfs/dbraw/zinc/22/39/81/441223981.db2.gz BGKVUNVCICWFMT-AWEZNQCLSA-N 1 2 334.420 1.878 20 5 EDBDLO CS(=O)(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000060881355 441260957 /nfs/dbraw/zinc/26/09/57/441260957.db2.gz CQFGULGLFZBEAQ-UHFFFAOYSA-N 1 2 327.406 1.896 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000050931505 441393109 /nfs/dbraw/zinc/39/31/09/441393109.db2.gz FVWJWIGCCDSPSZ-UHFFFAOYSA-N 1 2 334.380 1.564 20 5 EDBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000084372239 441396126 /nfs/dbraw/zinc/39/61/26/441396126.db2.gz XAVQDJNWUJDFRJ-NSHDSACASA-N 1 2 332.316 1.462 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208891 441407074 /nfs/dbraw/zinc/40/70/74/441407074.db2.gz HRBAKOCHRLLLHV-KRWDZBQOSA-N 1 2 341.367 1.886 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208891 441407076 /nfs/dbraw/zinc/40/70/76/441407076.db2.gz HRBAKOCHRLLLHV-KRWDZBQOSA-N 1 2 341.367 1.886 20 5 EDBDLO CNC(=O)c1ccc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000053550063 441530005 /nfs/dbraw/zinc/53/00/05/441530005.db2.gz UIDPQVRSRWYLIB-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO CCCc1n[nH]c(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000109621466 441502260 /nfs/dbraw/zinc/50/22/60/441502260.db2.gz MKZZEOFHOUVTJD-JTQLQIEISA-N 1 2 332.364 1.520 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000092602810 441812289 /nfs/dbraw/zinc/81/22/89/441812289.db2.gz OOPZEPCTFIZFRX-KBPBESRZSA-N 1 2 333.388 1.675 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000092602810 441812293 /nfs/dbraw/zinc/81/22/93/441812293.db2.gz OOPZEPCTFIZFRX-KBPBESRZSA-N 1 2 333.388 1.675 20 5 EDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160429282 441881644 /nfs/dbraw/zinc/88/16/44/441881644.db2.gz KSTIJHYZNGCJTG-CQSZACIVSA-N 1 2 349.387 1.343 20 5 EDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160429282 441881647 /nfs/dbraw/zinc/88/16/47/441881647.db2.gz KSTIJHYZNGCJTG-CQSZACIVSA-N 1 2 349.387 1.343 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151607472 442092490 /nfs/dbraw/zinc/09/24/90/442092490.db2.gz JKLHJWRMSGCRLQ-NSHDSACASA-N 1 2 339.417 1.657 20 5 EDBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000162638589 442110144 /nfs/dbraw/zinc/11/01/44/442110144.db2.gz GLSLZGRYQDRTSU-UHFFFAOYSA-N 1 2 329.712 1.121 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000120779377 442131151 /nfs/dbraw/zinc/13/11/51/442131151.db2.gz CVVAWSXESLJETC-AWEZNQCLSA-N 1 2 325.390 1.251 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000120779377 442131152 /nfs/dbraw/zinc/13/11/52/442131152.db2.gz CVVAWSXESLJETC-AWEZNQCLSA-N 1 2 325.390 1.251 20 5 EDBDLO COc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170866322 442280253 /nfs/dbraw/zinc/28/02/53/442280253.db2.gz LBOBXTZFAWGQEC-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170866322 442280255 /nfs/dbraw/zinc/28/02/55/442280255.db2.gz LBOBXTZFAWGQEC-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191821400 442517533 /nfs/dbraw/zinc/51/75/33/442517533.db2.gz OTPINHGMJMIJLO-RYUDHWBXSA-N 1 2 335.360 1.664 20 5 EDBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191821400 442517537 /nfs/dbraw/zinc/51/75/37/442517537.db2.gz OTPINHGMJMIJLO-RYUDHWBXSA-N 1 2 335.360 1.664 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179267652 442609406 /nfs/dbraw/zinc/60/94/06/442609406.db2.gz KXUSYOIWYUXPPC-UHFFFAOYSA-N 1 2 326.316 1.476 20 5 EDBDLO COc1cccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000192516299 442656445 /nfs/dbraw/zinc/65/64/45/442656445.db2.gz IKVDZMGTMHVBSL-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1cccc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000192516299 442656448 /nfs/dbraw/zinc/65/64/48/442656448.db2.gz IKVDZMGTMHVBSL-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182178406 442742721 /nfs/dbraw/zinc/74/27/21/442742721.db2.gz SCSOSOBTPPYBHH-JTQLQIEISA-N 1 2 333.797 1.372 20 5 EDBDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182178406 442742723 /nfs/dbraw/zinc/74/27/23/442742723.db2.gz SCSOSOBTPPYBHH-JTQLQIEISA-N 1 2 333.797 1.372 20 5 EDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182491737 442776026 /nfs/dbraw/zinc/77/60/26/442776026.db2.gz MBFYLEWCMCDEQO-UHFFFAOYSA-N 1 2 332.316 1.682 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182738708 442816398 /nfs/dbraw/zinc/81/63/98/442816398.db2.gz HWQQQPVFEVRTTC-DGCLKSJQSA-N 1 2 337.376 1.218 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C[C@@H](C)O ZINC000182738708 442816401 /nfs/dbraw/zinc/81/64/01/442816401.db2.gz HWQQQPVFEVRTTC-DGCLKSJQSA-N 1 2 337.376 1.218 20 5 EDBDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000188960412 442849720 /nfs/dbraw/zinc/84/97/20/442849720.db2.gz SKBOKHNODIGETF-UHFFFAOYSA-N 1 2 341.371 1.768 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000268116976 442854388 /nfs/dbraw/zinc/85/43/88/442854388.db2.gz NCWFTLIYLGGBHL-UHFFFAOYSA-N 1 2 338.364 1.128 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000268116976 442854392 /nfs/dbraw/zinc/85/43/92/442854392.db2.gz NCWFTLIYLGGBHL-UHFFFAOYSA-N 1 2 338.364 1.128 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000194532475 442911036 /nfs/dbraw/zinc/91/10/36/442911036.db2.gz AEHYQCGOMRSJTI-UHFFFAOYSA-N 1 2 336.392 1.065 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268239747 442913249 /nfs/dbraw/zinc/91/32/49/442913249.db2.gz XDCWBOMIBUSEKC-UHFFFAOYSA-N 1 2 325.346 1.452 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000194611959 442923478 /nfs/dbraw/zinc/92/34/78/442923478.db2.gz MLCSKNKHCTXKSS-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248776996 442924824 /nfs/dbraw/zinc/92/48/24/442924824.db2.gz BGOGYOIFJCHQFI-WHOFXGATSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248776996 442924828 /nfs/dbraw/zinc/92/48/28/442924828.db2.gz BGOGYOIFJCHQFI-WHOFXGATSA-N 1 2 347.371 1.467 20 5 EDBDLO COc1cc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000184083023 442989902 /nfs/dbraw/zinc/98/99/02/442989902.db2.gz IEVFCOYIVZJJEJ-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)c1ccco1 ZINC000185130251 443143568 /nfs/dbraw/zinc/14/35/68/443143568.db2.gz ZTKLMCMGBNDKEA-LBPRGKRZSA-N 1 2 349.343 1.848 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1C ZINC000299369086 318898271 /nfs/dbraw/zinc/89/82/71/318898271.db2.gz YIAFFCRIYINCEE-UHFFFAOYSA-N 1 2 339.417 1.680 20 5 EDBDLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272437301 443315559 /nfs/dbraw/zinc/31/55/59/443315559.db2.gz OTLDHIMMPGHFKR-UHFFFAOYSA-N 1 2 344.327 1.786 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000272577552 443370592 /nfs/dbraw/zinc/37/05/92/443370592.db2.gz NWLVWDOUKALMKW-NSHDSACASA-N 1 2 347.375 1.796 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264750070 443405129 /nfs/dbraw/zinc/40/51/29/443405129.db2.gz VEDOXXFBGLKTTJ-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCN(C)CC1 ZINC000265095923 443531356 /nfs/dbraw/zinc/53/13/56/443531356.db2.gz FIOGBKISWDJBLV-LBPRGKRZSA-N 1 2 345.403 1.442 20 5 EDBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000616365726 450402924 /nfs/dbraw/zinc/40/29/24/450402924.db2.gz NNBNVOXVJCXTGI-NSHDSACASA-N 1 2 347.375 1.966 20 5 EDBDLO Cc1c(CC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000279414798 443582363 /nfs/dbraw/zinc/58/23/63/443582363.db2.gz XLVCGACYSZEWRC-CYBMUJFWSA-N 1 2 335.404 1.625 20 5 EDBDLO Cc1ccnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265283903 443595116 /nfs/dbraw/zinc/59/51/16/443595116.db2.gz WVKSOVDJROKHTD-UHFFFAOYSA-N 1 2 333.392 1.043 20 5 EDBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000448983000 320169821 /nfs/dbraw/zinc/16/98/21/320169821.db2.gz YYRVNGTWFZPDRZ-MRXNPFEDSA-N 1 2 330.344 1.937 20 5 EDBDLO CNC(=O)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456458550 320307824 /nfs/dbraw/zinc/30/78/24/320307824.db2.gz FGFZKMLKBTXSBQ-JTQLQIEISA-N 1 2 331.332 1.035 20 5 EDBDLO CCOc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000492768354 320385322 /nfs/dbraw/zinc/38/53/22/320385322.db2.gz IKGOFWXJBBLSIH-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO CCOc1cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000492768354 320385323 /nfs/dbraw/zinc/38/53/23/320385323.db2.gz IKGOFWXJBBLSIH-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCOCC1 ZINC000285191728 443890151 /nfs/dbraw/zinc/89/01/51/443890151.db2.gz DJOJVSZCKYRTOL-CYBMUJFWSA-N 1 2 333.348 1.554 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000285334468 443945210 /nfs/dbraw/zinc/94/52/10/443945210.db2.gz OSKYJHVHHBFWOM-GJZGRUSLSA-N 1 2 327.331 1.778 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000285334468 443945215 /nfs/dbraw/zinc/94/52/15/443945215.db2.gz OSKYJHVHHBFWOM-GJZGRUSLSA-N 1 2 327.331 1.778 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000560344852 321022009 /nfs/dbraw/zinc/02/20/09/321022009.db2.gz UNFDXFKEJDAZCT-SECBINFHSA-N 1 2 344.327 1.376 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000560344852 321022011 /nfs/dbraw/zinc/02/20/11/321022011.db2.gz UNFDXFKEJDAZCT-SECBINFHSA-N 1 2 344.327 1.376 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570894536 321362025 /nfs/dbraw/zinc/36/20/25/321362025.db2.gz PLVIPDANASGTAP-UHFFFAOYSA-N 1 2 342.359 1.852 20 5 EDBDLO CC(=O)N1CC(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571105691 321372265 /nfs/dbraw/zinc/37/22/65/321372265.db2.gz LUVUYHJOPSUNQA-HNNXBMFYSA-N 1 2 329.360 1.238 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000301160629 444149950 /nfs/dbraw/zinc/14/99/50/444149950.db2.gz AJPINAVJPJQYRM-GFCCVEGCSA-N 1 2 333.392 1.087 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000301160633 444150243 /nfs/dbraw/zinc/15/02/43/444150243.db2.gz AJPINAVJPJQYRM-LBPRGKRZSA-N 1 2 333.392 1.087 20 5 EDBDLO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302608278 444217326 /nfs/dbraw/zinc/21/73/26/444217326.db2.gz DNYPIJCBNYJSRU-UHFFFAOYSA-N 1 2 327.406 1.530 20 5 EDBDLO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302608278 444217327 /nfs/dbraw/zinc/21/73/27/444217327.db2.gz DNYPIJCBNYJSRU-UHFFFAOYSA-N 1 2 327.406 1.530 20 5 EDBDLO C[N@@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301974214 444198862 /nfs/dbraw/zinc/19/88/62/444198862.db2.gz BPULEOVEVXFZMM-VIFPVBQESA-N 1 2 333.435 1.814 20 5 EDBDLO C[N@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301974214 444198865 /nfs/dbraw/zinc/19/88/65/444198865.db2.gz BPULEOVEVXFZMM-VIFPVBQESA-N 1 2 333.435 1.814 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)c1 ZINC000302115074 444204845 /nfs/dbraw/zinc/20/48/45/444204845.db2.gz VSSDQDXKMYISEU-NWDGAFQWSA-N 1 2 337.376 1.903 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2CCOC[C@H]2C)c1 ZINC000302115074 444204847 /nfs/dbraw/zinc/20/48/47/444204847.db2.gz VSSDQDXKMYISEU-NWDGAFQWSA-N 1 2 337.376 1.903 20 5 EDBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCn2c[nH+]cc2C1 ZINC000290872445 444333379 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328.332 1.106 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2(C(N)=O)CCCC2)c1 ZINC000593017374 449103762 /nfs/dbraw/zinc/10/37/62/449103762.db2.gz CIUILCFMEPSDBZ-UHFFFAOYSA-N 1 2 335.360 1.611 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2(C(N)=O)CCCC2)c1 ZINC000593017374 449103769 /nfs/dbraw/zinc/10/37/69/449103769.db2.gz CIUILCFMEPSDBZ-UHFFFAOYSA-N 1 2 335.360 1.611 20 5 EDBDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595663768 449106947 /nfs/dbraw/zinc/10/69/47/449106947.db2.gz URPKEGNPLROQMP-MRXNPFEDSA-N 1 2 337.376 1.315 20 5 EDBDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000595663768 449106950 /nfs/dbraw/zinc/10/69/50/449106950.db2.gz URPKEGNPLROQMP-MRXNPFEDSA-N 1 2 337.376 1.315 20 5 EDBDLO CN1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O ZINC000595788826 449166538 /nfs/dbraw/zinc/16/65/38/449166538.db2.gz YIEDKBHIGCHFFH-UHFFFAOYSA-N 1 2 331.332 1.309 20 5 EDBDLO CN1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1=O 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UZMMFNGXQZAZPV-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000590680660 449244748 /nfs/dbraw/zinc/24/47/48/449244748.db2.gz QYPALMVXJRKNSL-MLGOLLRUSA-N 1 2 349.387 1.393 20 5 EDBDLO C[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000590680660 449244751 /nfs/dbraw/zinc/24/47/51/449244751.db2.gz QYPALMVXJRKNSL-MLGOLLRUSA-N 1 2 349.387 1.393 20 5 EDBDLO C[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000611224859 449225245 /nfs/dbraw/zinc/22/52/45/449225245.db2.gz JPZZVYURMJULBU-MRXNPFEDSA-N 1 2 333.388 1.664 20 5 EDBDLO C[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000611224859 449225251 /nfs/dbraw/zinc/22/52/51/449225251.db2.gz JPZZVYURMJULBU-MRXNPFEDSA-N 1 2 333.388 1.664 20 5 EDBDLO Cc1cc(NCC[C@]2(O)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593495615 449309050 /nfs/dbraw/zinc/30/90/50/449309050.db2.gz QMZFYCIUNUYAHK-KRWDZBQOSA-N 1 2 344.371 1.736 20 5 EDBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593995746 449316625 /nfs/dbraw/zinc/31/66/25/449316625.db2.gz BQFJNBNDZGMWAA-INIZCTEOSA-N 1 2 333.344 1.316 20 5 EDBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593995746 449316629 /nfs/dbraw/zinc/31/66/29/449316629.db2.gz BQFJNBNDZGMWAA-INIZCTEOSA-N 1 2 333.344 1.316 20 5 EDBDLO CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1=O ZINC000598293844 449341717 /nfs/dbraw/zinc/34/17/17/449341717.db2.gz MAAQNUZJJLLMBV-UHFFFAOYSA-N 1 2 343.343 1.085 20 5 EDBDLO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)nc(C(C)C)[nH+]1 ZINC000600367603 449342184 /nfs/dbraw/zinc/34/21/84/449342184.db2.gz VFMFIOYUMPRBFH-UHFFFAOYSA-N 1 2 332.364 1.987 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1=O ZINC000611930497 449477526 /nfs/dbraw/zinc/47/75/26/449477526.db2.gz PFDAATNNDYHTBS-SNVBAGLBSA-N 1 2 335.389 1.993 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608434 449490591 /nfs/dbraw/zinc/49/05/91/449490591.db2.gz SMPXBDLHQSZYON-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608434 449490595 /nfs/dbraw/zinc/49/05/95/449490595.db2.gz SMPXBDLHQSZYON-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CO1 ZINC000596426851 449496999 /nfs/dbraw/zinc/49/69/99/449496999.db2.gz BXVKLYXYHIAHMV-QWRGUYRKSA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CO1 ZINC000596426851 449497005 /nfs/dbraw/zinc/49/70/05/449497005.db2.gz BXVKLYXYHIAHMV-QWRGUYRKSA-N 1 2 347.375 1.765 20 5 EDBDLO Cc1c(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000596634892 449579807 /nfs/dbraw/zinc/57/98/07/449579807.db2.gz FWTORVBIDRKNOG-CYBMUJFWSA-N 1 2 334.376 1.842 20 5 EDBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000594508504 449558670 /nfs/dbraw/zinc/55/86/70/449558670.db2.gz CLEKLRRUWHXLNV-NWDGAFQWSA-N 1 2 348.411 1.806 20 5 EDBDLO CCOc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000598943067 449662272 /nfs/dbraw/zinc/66/22/72/449662272.db2.gz PIKVNWHZOHFBHC-SNVBAGLBSA-N 1 2 346.343 1.553 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000594763496 449677115 /nfs/dbraw/zinc/67/71/15/449677115.db2.gz SQCDHBRZBMGPHP-SNVBAGLBSA-N 1 2 337.361 1.629 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601112835 449696797 /nfs/dbraw/zinc/69/67/97/449696797.db2.gz HMPJHLVVFFJJBT-QMMMGPOBSA-N 1 2 337.302 1.114 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601112835 449696802 /nfs/dbraw/zinc/69/68/02/449696802.db2.gz HMPJHLVVFFJJBT-QMMMGPOBSA-N 1 2 337.302 1.114 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104836 449692297 /nfs/dbraw/zinc/69/22/97/449692297.db2.gz ITWDUAWHVSLJDB-QMMMGPOBSA-N 1 2 337.302 1.480 20 5 EDBDLO O=[N+]([O-])c1cnccc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183512 449783599 /nfs/dbraw/zinc/78/35/99/449783599.db2.gz QLFZDYGNGLWSGE-CQSZACIVSA-N 1 2 329.360 1.120 20 5 EDBDLO O=[N+]([O-])c1cnccc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183512 449783608 /nfs/dbraw/zinc/78/36/08/449783608.db2.gz QLFZDYGNGLWSGE-CQSZACIVSA-N 1 2 329.360 1.120 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc([N+](=O)[O-])s1 ZINC000599129576 449752203 /nfs/dbraw/zinc/75/22/03/449752203.db2.gz FMDRBGTWTHHYCT-ZDUSSCGKSA-N 1 2 328.394 1.079 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc([N+](=O)[O-])s1 ZINC000599129576 449752210 /nfs/dbraw/zinc/75/22/10/449752210.db2.gz FMDRBGTWTHHYCT-ZDUSSCGKSA-N 1 2 328.394 1.079 20 5 EDBDLO COc1cncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000599262897 449841278 /nfs/dbraw/zinc/84/12/78/449841278.db2.gz OIMLHNCGXXJVTH-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000602943787 449945241 /nfs/dbraw/zinc/94/52/41/449945241.db2.gz QKKLQABYBTYSOP-ZDUSSCGKSA-N 1 2 349.416 1.784 20 5 EDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000602943787 449945248 /nfs/dbraw/zinc/94/52/48/449945248.db2.gz QKKLQABYBTYSOP-ZDUSSCGKSA-N 1 2 349.416 1.784 20 5 EDBDLO O=C1[C@H](N2CCn3cc[nH+]c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609449447 450029974 /nfs/dbraw/zinc/02/99/74/450029974.db2.gz TWCNMVOWERUHCB-CQSZACIVSA-N 1 2 327.344 1.412 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c(C)cc1[N+](=O)[O-] ZINC000595384173 450099617 /nfs/dbraw/zinc/09/96/17/450099617.db2.gz SXEJWPXYBRCCOM-NSHDSACASA-N 1 2 338.389 1.985 20 5 EDBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597549682 450101228 /nfs/dbraw/zinc/10/12/28/450101228.db2.gz UTGPNGCAZKRTCL-LLVKDONJSA-N 1 2 342.355 1.713 20 5 EDBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597549682 450101229 /nfs/dbraw/zinc/10/12/29/450101229.db2.gz UTGPNGCAZKRTCL-LLVKDONJSA-N 1 2 342.355 1.713 20 5 EDBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000610244090 450159770 /nfs/dbraw/zinc/15/97/70/450159770.db2.gz NFMXYRMKECNNAK-ZDUSSCGKSA-N 1 2 344.371 1.623 20 5 EDBDLO O=C(N1CCCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447601 450222194 /nfs/dbraw/zinc/22/21/94/450222194.db2.gz SDEDVOOHKOWMCF-UHFFFAOYSA-N 1 2 336.396 1.015 20 5 EDBDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610615498 450273710 /nfs/dbraw/zinc/27/37/10/450273710.db2.gz HIUOTUMQZIESEG-JTQLQIEISA-N 1 2 337.332 1.373 20 5 EDBDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610615498 450273711 /nfs/dbraw/zinc/27/37/11/450273711.db2.gz HIUOTUMQZIESEG-JTQLQIEISA-N 1 2 337.332 1.373 20 5 EDBDLO Cc1c(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595587870 450249553 /nfs/dbraw/zinc/24/95/53/450249553.db2.gz LKLRVFCFHVBPEB-OAHLLOKOSA-N 1 2 348.403 1.519 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCn1cc[nH+]c1 ZINC000345662293 535949852 /nfs/dbraw/zinc/94/98/52/535949852.db2.gz JPNBRKRNUPSCGY-LBPRGKRZSA-N 1 2 349.395 1.230 20 5 EDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2c(C)c(C)[nH+]c2C1 ZINC000728568104 578548882 /nfs/dbraw/zinc/54/88/82/578548882.db2.gz WUPZJWQUCDFNSD-UHFFFAOYSA-N 1 2 329.360 1.788 20 5 EDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746472806 578626271 /nfs/dbraw/zinc/62/62/71/578626271.db2.gz GNYSPQMZJDRPQQ-XMHCIUCPSA-N 1 2 325.434 1.652 20 5 EDBDLO Cc1nonc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000735900067 578938500 /nfs/dbraw/zinc/93/85/00/578938500.db2.gz DSECHTKCDWNUIM-UHFFFAOYSA-N 1 2 329.272 1.829 20 5 EDBDLO Cn1c[nH+]cc1COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000747783531 579658079 /nfs/dbraw/zinc/65/80/79/579658079.db2.gz RRMBHLJDAULUAY-UHFFFAOYSA-N 1 2 328.288 1.266 20 5 EDBDLO C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[N@@H+]1CCc2ccccc2C1 ZINC000748133657 579671607 /nfs/dbraw/zinc/67/16/07/579671607.db2.gz UAAJRLWPDPRGDB-CYBMUJFWSA-N 1 2 344.371 1.781 20 5 EDBDLO C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[N@H+]1CCc2ccccc2C1 ZINC000748133657 579671608 /nfs/dbraw/zinc/67/16/08/579671608.db2.gz UAAJRLWPDPRGDB-CYBMUJFWSA-N 1 2 344.371 1.781 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000748367715 579682374 /nfs/dbraw/zinc/68/23/74/579682374.db2.gz DRDMIZUHLDZNPD-UHFFFAOYSA-N 1 2 345.350 1.682 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000748367715 579682375 /nfs/dbraw/zinc/68/23/75/579682375.db2.gz DRDMIZUHLDZNPD-UHFFFAOYSA-N 1 2 345.350 1.682 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000748367715 579682376 /nfs/dbraw/zinc/68/23/76/579682376.db2.gz DRDMIZUHLDZNPD-UHFFFAOYSA-N 1 2 345.350 1.682 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000748367715 579682377 /nfs/dbraw/zinc/68/23/77/579682377.db2.gz DRDMIZUHLDZNPD-UHFFFAOYSA-N 1 2 345.350 1.682 20 5 EDBDLO C/C(=C\C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751871803 579825582 /nfs/dbraw/zinc/82/55/82/579825582.db2.gz RTDFQCBMZOPYMT-CMPYXILNSA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C\C(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751871803 579825583 /nfs/dbraw/zinc/82/55/83/579825583.db2.gz RTDFQCBMZOPYMT-CMPYXILNSA-N 1 2 333.388 1.835 20 5 EDBDLO C[C@@H]1COCCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752799149 579866015 /nfs/dbraw/zinc/86/60/15/579866015.db2.gz WYBNADCGXFVGQA-CYBMUJFWSA-N 1 2 334.376 1.905 20 5 EDBDLO C[C@@H]1COCCC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752799149 579866016 /nfs/dbraw/zinc/86/60/16/579866016.db2.gz WYBNADCGXFVGQA-CYBMUJFWSA-N 1 2 334.376 1.905 20 5 EDBDLO C[C@H]1COCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000753987802 579893052 /nfs/dbraw/zinc/89/30/52/579893052.db2.gz VGFBYGBZCUDXBF-CYBMUJFWSA-N 1 2 334.376 1.763 20 5 EDBDLO C[C@H]1COCC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 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C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840317893 593582761 /nfs/dbraw/zinc/58/27/61/593582761.db2.gz DKGIPRKFIGXGHH-USXIJHARSA-N 1 2 347.415 1.401 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000814362852 593583045 /nfs/dbraw/zinc/58/30/45/593583045.db2.gz KUOZVLBAPMTROZ-NRFANRHFSA-N 1 2 331.825 1.749 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)n1 ZINC000823394036 594196722 /nfs/dbraw/zinc/19/67/22/594196722.db2.gz SIGWQDIGDKDPAZ-ZETCQYMHSA-N 1 2 338.324 1.110 20 5 EDBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827634872 594249077 /nfs/dbraw/zinc/24/90/77/594249077.db2.gz FKWYAFQUDXHNOQ-CZUORRHYSA-N 1 2 342.355 1.418 20 5 EDBDLO COc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000831744431 594698539 /nfs/dbraw/zinc/69/85/39/594698539.db2.gz NTSPLFHTPMHMEI-SNVBAGLBSA-N 1 2 338.345 1.223 20 5 EDBDLO CC1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O 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Cn1nccc1C([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000860076945 595567004 /nfs/dbraw/zinc/56/70/04/595567004.db2.gz IVFWMVSACLBLSP-UHFFFAOYSA-N 1 2 326.360 1.941 20 5 EDBDLO [NH3+]C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000857766848 595600980 /nfs/dbraw/zinc/60/09/80/595600980.db2.gz WFDCVFKOPMQIHT-MRVPVSSYSA-N 1 2 343.208 1.572 20 5 EDBDLO CC1(C)C[NH+]=C(N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)S1 ZINC000853435683 595751177 /nfs/dbraw/zinc/75/11/77/595751177.db2.gz SHHTXBLFWFPXMW-UHFFFAOYSA-N 1 2 337.405 1.699 20 5 EDBDLO CC(=O)N1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000860941819 595841337 /nfs/dbraw/zinc/84/13/37/595841337.db2.gz DPPDBNWUSLKAHA-CYBMUJFWSA-N 1 2 344.327 1.558 20 5 EDBDLO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)nc2)CC1 ZINC000854089319 595972278 /nfs/dbraw/zinc/97/22/78/595972278.db2.gz ZBQWJOLCPSXHEY-DGCLKSJQSA-N 1 2 330.348 1.016 20 5 EDBDLO Cc1noc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c1[N+](=O)[O-] ZINC000856797285 596085231 /nfs/dbraw/zinc/08/52/31/596085231.db2.gz FDNFVHAZTDKEMN-HNNXBMFYSA-N 1 2 335.364 1.570 20 5 EDBDLO CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccc[nH+]c21 ZINC000872312987 596877827 /nfs/dbraw/zinc/87/78/27/596877827.db2.gz DENYUBWFCNUGPF-HNNXBMFYSA-N 1 2 342.355 1.502 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000874704713 597148782 /nfs/dbraw/zinc/14/87/82/597148782.db2.gz MCCLVXQGLYKZNI-OAHLLOKOSA-N 1 2 335.404 1.673 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000874704713 597148784 /nfs/dbraw/zinc/14/87/84/597148784.db2.gz MCCLVXQGLYKZNI-OAHLLOKOSA-N 1 2 335.404 1.673 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000876762649 597328683 /nfs/dbraw/zinc/32/86/83/597328683.db2.gz JAIJKXHENNUPDO-QHCPKHFHSA-N 1 2 339.461 1.708 20 5 EDBDLO Cn1ncc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000877524305 597530810 /nfs/dbraw/zinc/53/08/10/597530810.db2.gz UQIOTTLSLJQMPZ-UHFFFAOYSA-N 1 2 332.183 1.837 20 5 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CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298186184 303504288 /nfs/dbraw/zinc/50/42/88/303504288.db2.gz WHTBVYIHXDYROP-ZDUSSCGKSA-N 1 2 335.408 1.369 20 5 EDBDLO Cc1nn(C)c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000299175542 303591579 /nfs/dbraw/zinc/59/15/79/303591579.db2.gz WRLCVYZEYFFIQO-UHFFFAOYSA-N 1 2 328.332 1.523 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299428039 303617567 /nfs/dbraw/zinc/61/75/67/303617567.db2.gz UHMCKHPOKBIDCW-VIFPVBQESA-N 1 2 328.325 1.297 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(N3CC[C@H](Oc4cc[nH+]cc4)C3)nn21 ZINC000301953571 303704686 /nfs/dbraw/zinc/70/46/86/303704686.db2.gz JVVHTSGZZYRPFB-LBPRGKRZSA-N 1 2 326.316 1.690 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000432876858 305096832 /nfs/dbraw/zinc/09/68/32/305096832.db2.gz CQQCRRLRAUXBEG-IUODEOHRSA-N 1 2 330.344 1.978 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1COCCO1 ZINC000447814144 305286208 /nfs/dbraw/zinc/28/62/08/305286208.db2.gz YSWNRQAGTHVKIC-CQSZACIVSA-N 1 2 337.376 1.254 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000540872048 306041066 /nfs/dbraw/zinc/04/10/66/306041066.db2.gz KHPSDIHAPPSATE-CYBMUJFWSA-N 1 2 349.387 1.613 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000540872048 306041067 /nfs/dbraw/zinc/04/10/67/306041067.db2.gz KHPSDIHAPPSATE-CYBMUJFWSA-N 1 2 349.387 1.613 20 5 EDBDLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000493832440 447405313 /nfs/dbraw/zinc/40/53/13/447405313.db2.gz VVLQVMFRHASIRG-VXGBXAGGSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000493832440 447405317 /nfs/dbraw/zinc/40/53/17/447405317.db2.gz VVLQVMFRHASIRG-VXGBXAGGSA-N 1 2 339.396 1.984 20 5 EDBDLO COc1cccc([C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000044380680 440841549 /nfs/dbraw/zinc/84/15/49/440841549.db2.gz 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CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054174532 441562608 /nfs/dbraw/zinc/56/26/08/441562608.db2.gz SEYYVDZNUHJNPK-NSHDSACASA-N 1 2 333.435 1.560 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000114856578 441690554 /nfs/dbraw/zinc/69/05/54/441690554.db2.gz DGEBICNPEMRQNY-LBPRGKRZSA-N 1 2 345.359 1.064 20 5 EDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000114856578 441690560 /nfs/dbraw/zinc/69/05/60/441690560.db2.gz DGEBICNPEMRQNY-LBPRGKRZSA-N 1 2 345.359 1.064 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000042510770 441745105 /nfs/dbraw/zinc/74/51/05/441745105.db2.gz AIAPQCZLDCPYRF-RYUDHWBXSA-N 1 2 345.359 1.115 20 5 EDBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000158333711 441727185 /nfs/dbraw/zinc/72/71/85/441727185.db2.gz FYPLZZWOTJFVRA-LLVKDONJSA-N 1 2 349.416 1.909 20 5 EDBDLO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 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/nfs/dbraw/zinc/88/02/91/441880291.db2.gz YHNZPFUNIRUEMT-MJVIPROJSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343022 441881302 /nfs/dbraw/zinc/88/13/02/441881302.db2.gz YHNZPFUNIRUEMT-SUNKGSAMSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343022 441881303 /nfs/dbraw/zinc/88/13/03/441881303.db2.gz YHNZPFUNIRUEMT-SUNKGSAMSA-N 1 2 337.376 1.633 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000450289428 447443401 /nfs/dbraw/zinc/44/34/01/447443401.db2.gz VGYVOBYTZGHGCI-ABAIWWIYSA-N 1 2 330.344 1.623 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000161406576 441997182 /nfs/dbraw/zinc/99/71/82/441997182.db2.gz AZFDDLARCFTQNC-UHFFFAOYSA-N 1 2 330.348 1.254 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000175241214 442024530 /nfs/dbraw/zinc/02/45/30/442024530.db2.gz MTEBOTFEYXWSNN-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000175241214 442024536 /nfs/dbraw/zinc/02/45/36/442024536.db2.gz MTEBOTFEYXWSNN-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175626576 442095622 /nfs/dbraw/zinc/09/56/22/442095622.db2.gz FPWWITRPBWSCMN-NSHDSACASA-N 1 2 345.359 1.235 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126301662 442097317 /nfs/dbraw/zinc/09/73/17/442097317.db2.gz IGRCJWAETBTVHP-BGJPBQGDSA-N 1 2 339.417 1.183 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126301662 442097323 /nfs/dbraw/zinc/09/73/23/442097323.db2.gz IGRCJWAETBTVHP-BGJPBQGDSA-N 1 2 339.417 1.183 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000126355326 442103324 /nfs/dbraw/zinc/10/33/24/442103324.db2.gz KELBAAGKOXZCBN-UHFFFAOYSA-N 1 2 341.389 1.072 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000170866546 442280162 /nfs/dbraw/zinc/28/01/62/442280162.db2.gz VNIJOSWZUNNCNO-UHFFFAOYSA-N 1 2 337.376 1.201 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000170866546 442280166 /nfs/dbraw/zinc/28/01/66/442280166.db2.gz VNIJOSWZUNNCNO-UHFFFAOYSA-N 1 2 337.376 1.201 20 5 EDBDLO COc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000133441344 442418073 /nfs/dbraw/zinc/41/80/73/442418073.db2.gz ICTSGLOZXMQODW-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000134308730 442467398 /nfs/dbraw/zinc/46/73/98/442467398.db2.gz QJZMRMLJVCJYLD-ZDUSSCGKSA-N 1 2 327.406 1.497 20 5 EDBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000134308730 442467402 /nfs/dbraw/zinc/46/74/02/442467402.db2.gz QJZMRMLJVCJYLD-ZDUSSCGKSA-N 1 2 327.406 1.497 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](CCO)Cc1cccnc1 ZINC000157056807 442546591 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MVAVCGWISGVJQX-UHFFFAOYSA-N 1 2 346.309 1.611 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000365262665 446111074 /nfs/dbraw/zinc/11/10/74/446111074.db2.gz WGZVLKJDURVMPD-NSHDSACASA-N 1 2 330.344 1.679 20 5 EDBDLO COc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000354372922 446156163 /nfs/dbraw/zinc/15/61/63/446156163.db2.gz QEFVWMSKUHOAQZ-UHFFFAOYSA-N 1 2 345.359 1.285 20 5 EDBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000359522113 446274648 /nfs/dbraw/zinc/27/46/48/446274648.db2.gz BAWQHTCWLOQOIG-CQSZACIVSA-N 1 2 345.355 1.888 20 5 EDBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000370553281 446329845 /nfs/dbraw/zinc/32/98/45/446329845.db2.gz CUXWYROLGAPDFS-JSGCOSHPSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000370553281 446329851 /nfs/dbraw/zinc/32/98/51/446329851.db2.gz CUXWYROLGAPDFS-JSGCOSHPSA-N 1 2 348.382 2.056 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000376114184 446339905 /nfs/dbraw/zinc/33/99/05/446339905.db2.gz MMOCBZOZCFRLNB-JTQLQIEISA-N 1 2 331.332 1.449 20 5 EDBDLO C[N@@H+]1CCN(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374802332 446399699 /nfs/dbraw/zinc/39/96/99/446399699.db2.gz VOSFKVUKJLXGDV-UHFFFAOYSA-N 1 2 336.367 1.477 20 5 EDBDLO C[N@H+]1CCN(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374802332 446399705 /nfs/dbraw/zinc/39/97/05/446399705.db2.gz VOSFKVUKJLXGDV-UHFFFAOYSA-N 1 2 336.367 1.477 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000371021120 446579158 /nfs/dbraw/zinc/57/91/58/446579158.db2.gz XHSOAUPSFHCOQT-UHFFFAOYSA-N 1 2 343.343 1.389 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420433624 446608442 /nfs/dbraw/zinc/60/84/42/446608442.db2.gz CZENCOXBJQMLMP-CQSZACIVSA-N 1 2 345.396 1.479 20 5 EDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000376765733 446706370 /nfs/dbraw/zinc/70/63/70/446706370.db2.gz SGFNKUVYOBAVGH-UHFFFAOYSA-N 1 2 345.359 1.376 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000412206844 446898630 /nfs/dbraw/zinc/89/86/30/446898630.db2.gz TYWVJRYBJNJQIO-CQSZACIVSA-N 1 2 348.403 1.112 20 5 EDBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444623512 447110333 /nfs/dbraw/zinc/11/03/33/447110333.db2.gz BHIKPXOGYBFNFI-LLVKDONJSA-N 1 2 331.376 1.962 20 5 EDBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444623512 447110337 /nfs/dbraw/zinc/11/03/37/447110337.db2.gz BHIKPXOGYBFNFI-LLVKDONJSA-N 1 2 331.376 1.962 20 5 EDBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425535815 447215600 /nfs/dbraw/zinc/21/56/00/447215600.db2.gz HPXXXVOIXWUIAD-OAHLLOKOSA-N 1 2 343.387 1.354 20 5 EDBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425535815 447215605 /nfs/dbraw/zinc/21/56/05/447215605.db2.gz HPXXXVOIXWUIAD-OAHLLOKOSA-N 1 2 343.387 1.354 20 5 EDBDLO C[C@H]1C[C@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000421953929 447292515 /nfs/dbraw/zinc/29/25/15/447292515.db2.gz DJMWZWJLDLOKFI-STQMWFEESA-N 1 2 344.371 1.871 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)nc1 ZINC000450556248 447525660 /nfs/dbraw/zinc/52/56/60/447525660.db2.gz AJWPKIJPZHXRAP-ZDUSSCGKSA-N 1 2 343.391 1.678 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)nc1 ZINC000450556248 447525664 /nfs/dbraw/zinc/52/56/64/447525664.db2.gz AJWPKIJPZHXRAP-ZDUSSCGKSA-N 1 2 343.391 1.678 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427757832 447643664 /nfs/dbraw/zinc/64/36/64/447643664.db2.gz KSTHESCCPVJAOP-LBPRGKRZSA-N 1 2 347.375 1.312 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427757832 447643667 /nfs/dbraw/zinc/64/36/67/447643667.db2.gz KSTHESCCPVJAOP-LBPRGKRZSA-N 1 2 347.375 1.312 20 5 EDBDLO CCOCC[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC000458082175 447714805 /nfs/dbraw/zinc/71/48/05/447714805.db2.gz KJMNPADABIEFLP-LBPRGKRZSA-N 1 2 337.376 1.483 20 5 EDBDLO CCOCC[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC000458082175 447714812 /nfs/dbraw/zinc/71/48/12/447714812.db2.gz KJMNPADABIEFLP-LBPRGKRZSA-N 1 2 337.376 1.483 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451923694 447784616 /nfs/dbraw/zinc/78/46/16/447784616.db2.gz ATIQBCDTIOAZFP-LLVKDONJSA-N 1 2 338.389 1.992 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000591327357 448324570 /nfs/dbraw/zinc/32/45/70/448324570.db2.gz GZLCSVPYJWBAID-CYBMUJFWSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000591327357 448324574 /nfs/dbraw/zinc/32/45/74/448324574.db2.gz GZLCSVPYJWBAID-CYBMUJFWSA-N 1 2 341.433 1.926 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000492767517 448285955 /nfs/dbraw/zinc/28/59/55/448285955.db2.gz CQRIDLAPOROIKW-KADIJHKTSA-N 1 2 349.362 1.679 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000492767517 448285961 /nfs/dbraw/zinc/28/59/61/448285961.db2.gz CQRIDLAPOROIKW-KADIJHKTSA-N 1 2 349.362 1.679 20 5 EDBDLO Cc1[nH+]c2cc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)ccc2n1C ZINC000533038670 448349389 /nfs/dbraw/zinc/34/93/89/448349389.db2.gz QMQBZHIHTQMWRZ-UHFFFAOYSA-N 1 2 341.327 1.590 20 5 EDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000533547748 448414027 /nfs/dbraw/zinc/41/40/27/448414027.db2.gz PCEOOYNEDSNFBX-LBPRGKRZSA-N 1 2 330.344 1.549 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000516907305 448491852 /nfs/dbraw/zinc/49/18/52/448491852.db2.gz CMYSDEHIHXTOIG-GFCCVEGCSA-N 1 2 337.376 1.444 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000516907305 448491857 /nfs/dbraw/zinc/49/18/57/448491857.db2.gz CMYSDEHIHXTOIG-GFCCVEGCSA-N 1 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CO[C@]1(CO)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595663160 449105293 /nfs/dbraw/zinc/10/52/93/449105293.db2.gz SFILAPXNIYSCMW-MRXNPFEDSA-N 1 2 348.359 1.618 20 5 EDBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593610238 449107749 /nfs/dbraw/zinc/10/77/49/449107749.db2.gz SXJRHLFHKINMSI-LLVKDONJSA-N 1 2 328.394 1.095 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595764107 449154793 /nfs/dbraw/zinc/15/47/93/449154793.db2.gz VKDFEZVUXFENKE-NEPJUHHUSA-N 1 2 327.406 1.622 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595764107 449154797 /nfs/dbraw/zinc/15/47/97/449154797.db2.gz VKDFEZVUXFENKE-NEPJUHHUSA-N 1 2 327.406 1.622 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000600071393 449171410 /nfs/dbraw/zinc/17/14/10/449171410.db2.gz AMEJOFOTHRFHKA-UHFFFAOYSA-N 1 2 327.360 1.388 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000600071393 449171414 /nfs/dbraw/zinc/17/14/14/449171414.db2.gz AMEJOFOTHRFHKA-UHFFFAOYSA-N 1 2 327.360 1.388 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744651 449143315 /nfs/dbraw/zinc/14/33/15/449143315.db2.gz LFHAFTDNDGXFOQ-CDMJZVDBSA-N 1 2 337.376 1.491 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744651 449143317 /nfs/dbraw/zinc/14/33/17/449143317.db2.gz LFHAFTDNDGXFOQ-CDMJZVDBSA-N 1 2 337.376 1.491 20 5 EDBDLO Cc1sc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597997519 449182623 /nfs/dbraw/zinc/18/26/23/449182623.db2.gz MMBPWEHBCDAJAV-ZJUUUORDSA-N 1 2 327.406 1.804 20 5 EDBDLO Cc1sc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597997519 449182627 /nfs/dbraw/zinc/18/26/27/449182627.db2.gz MMBPWEHBCDAJAV-ZJUUUORDSA-N 1 2 327.406 1.804 20 5 EDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595823528 449187136 /nfs/dbraw/zinc/18/71/36/449187136.db2.gz 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CNS(=O)(=O)[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611287488 449251147 /nfs/dbraw/zinc/25/11/47/449251147.db2.gz PNVVOFSTDBDMPY-AGLBCWCQSA-N 1 2 325.390 1.232 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000601977221 449258691 /nfs/dbraw/zinc/25/86/91/449258691.db2.gz SJIAKRDNSMROAQ-CYBMUJFWSA-N 1 2 343.330 1.914 20 5 EDBDLO CN(C(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000601977221 449258695 /nfs/dbraw/zinc/25/86/95/449258695.db2.gz SJIAKRDNSMROAQ-CYBMUJFWSA-N 1 2 343.330 1.914 20 5 EDBDLO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)C1 ZINC000593912859 449281772 /nfs/dbraw/zinc/28/17/72/449281772.db2.gz RQOPHVFLYALSPH-XJKCOSOUSA-N 1 2 349.387 1.659 20 5 EDBDLO Cn1cc(C[C@@H](CO)Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)cn1 ZINC000596279799 449452966 /nfs/dbraw/zinc/45/29/66/449452966.db2.gz PXICQTIQPBGYDQ-ZDUSSCGKSA-N 1 2 327.344 1.892 20 5 EDBDLO CC[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C 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NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615844906 450259181 /nfs/dbraw/zinc/25/91/81/450259181.db2.gz ACOFBIUVSLIPAQ-IETSOEAISA-N 1 2 347.371 1.452 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615872642 450264451 /nfs/dbraw/zinc/26/44/51/450264451.db2.gz FVBQFHHHBGAXDL-UHFFFAOYSA-N 1 2 330.344 1.861 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619879687 450350377 /nfs/dbraw/zinc/35/03/77/450350377.db2.gz QQVYZTQCUNXGMW-ZDUSSCGKSA-N 1 2 349.387 1.627 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000619476830 450484732 /nfs/dbraw/zinc/48/47/32/450484732.db2.gz PQOXCYGXRLTPFE-SNVBAGLBSA-N 1 2 340.361 1.167 20 5 EDBDLO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187297832 534393291 /nfs/dbraw/zinc/39/32/91/534393291.db2.gz ZUXMZSQGRGTHGV-SNVBAGLBSA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187297832 534393295 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O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756890649 579959598 /nfs/dbraw/zinc/95/95/98/579959598.db2.gz UBJRMEQUPJGTPD-YPMHNXCESA-N 1 2 345.355 1.649 20 5 EDBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000771163234 580281364 /nfs/dbraw/zinc/28/13/64/580281364.db2.gz LGKQRZCQSPGFHQ-UHFFFAOYSA-N 1 2 342.346 1.859 20 5 EDBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000771163234 580281365 /nfs/dbraw/zinc/28/13/65/580281365.db2.gz LGKQRZCQSPGFHQ-UHFFFAOYSA-N 1 2 342.346 1.859 20 5 EDBDLO Cc1cn2c([nH+]1)CN(Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)CC2 ZINC000782281639 580570840 /nfs/dbraw/zinc/57/08/40/580570840.db2.gz WHTAQGXNDHFXBY-UHFFFAOYSA-N 1 2 329.316 1.481 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782582505 580578639 /nfs/dbraw/zinc/57/86/39/580578639.db2.gz CVUDUYWWVACIPX-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782582505 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/nfs/dbraw/zinc/61/33/07/594613307.db2.gz ACEHIPBMFZYYHD-YPMHNXCESA-N 1 2 334.332 1.596 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000831738098 594697865 /nfs/dbraw/zinc/69/78/65/594697865.db2.gz KFXLYKAHGNHRFU-NSHDSACASA-N 1 2 336.373 1.831 20 5 EDBDLO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832712659 594771164 /nfs/dbraw/zinc/77/11/64/594771164.db2.gz GOMDUKQQTNQZEG-KOLCDFICSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832712659 594771165 /nfs/dbraw/zinc/77/11/65/594771165.db2.gz GOMDUKQQTNQZEG-KOLCDFICSA-N 1 2 327.768 1.889 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840976032 594834476 /nfs/dbraw/zinc/83/44/76/594834476.db2.gz ULURQOQZLNGVAS-RNCFNFMXSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840976032 594834477 /nfs/dbraw/zinc/83/44/77/594834477.db2.gz ULURQOQZLNGVAS-RNCFNFMXSA-N 1 2 345.193 1.532 20 5 EDBDLO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000845768581 595059668 /nfs/dbraw/zinc/05/96/68/595059668.db2.gz NCOKQYUGRWXJBQ-UHFFFAOYSA-N 1 2 327.356 1.519 20 5 EDBDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842315864 595075441 /nfs/dbraw/zinc/07/54/41/595075441.db2.gz YBIRQHUHELBDQN-QJPTWQEYSA-N 1 2 328.365 1.001 20 5 EDBDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842315864 595075442 /nfs/dbraw/zinc/07/54/42/595075442.db2.gz YBIRQHUHELBDQN-QJPTWQEYSA-N 1 2 328.365 1.001 20 5 EDBDLO CC1(C(N)=O)C[NH+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843416800 595105330 /nfs/dbraw/zinc/10/53/30/595105330.db2.gz YAVDPPOBMFJKOL-UHFFFAOYSA-N 1 2 328.166 1.665 20 5 EDBDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000842961331 595243861 /nfs/dbraw/zinc/24/38/61/595243861.db2.gz GXHSYXIPOZEIAI-SWLSCSKDSA-N 1 2 338.360 1.487 20 5 EDBDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000842961331 595243862 /nfs/dbraw/zinc/24/38/62/595243862.db2.gz GXHSYXIPOZEIAI-SWLSCSKDSA-N 1 2 338.360 1.487 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844401582 595337541 /nfs/dbraw/zinc/33/75/41/595337541.db2.gz JTOKSZHZKZPVQF-GHMZBOCLSA-N 1 2 343.767 1.268 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844401582 595337544 /nfs/dbraw/zinc/33/75/44/595337544.db2.gz JTOKSZHZKZPVQF-GHMZBOCLSA-N 1 2 343.767 1.268 20 5 EDBDLO NC(=O)[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000847054550 595357275 /nfs/dbraw/zinc/35/72/75/595357275.db2.gz QVCRPUFSCILXSA-GFCCVEGCSA-N 1 2 334.159 1.636 20 5 EDBDLO C[C@H](CC(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845279092 595473685 /nfs/dbraw/zinc/47/36/85/595473685.db2.gz UMCDRBZUWMLQNA-GFCCVEGCSA-N 1 2 346.343 1.949 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CC(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847784208 595483569 /nfs/dbraw/zinc/48/35/69/595483569.db2.gz NXDISNUMLNWIRB-UHFFFAOYSA-N 1 2 329.316 1.730 20 5 EDBDLO Cc1c(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2C)c(F)ccc1[N+](=O)[O-] ZINC000850709356 595605528 /nfs/dbraw/zinc/60/55/28/595605528.db2.gz PGTOQVONQLAAEL-SECBINFHSA-N 1 2 349.322 1.592 20 5 EDBDLO CC(=O)OC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504100 595772396 /nfs/dbraw/zinc/77/23/96/595772396.db2.gz MZGBUASMBVGWDY-UHFFFAOYSA-N 1 2 345.359 1.838 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433905 596159430 /nfs/dbraw/zinc/15/94/30/596159430.db2.gz BWEVEANXGQEYBC-CYBMUJFWSA-N 1 2 348.359 1.368 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433905 596159432 /nfs/dbraw/zinc/15/94/32/596159432.db2.gz BWEVEANXGQEYBC-CYBMUJFWSA-N 1 2 348.359 1.368 20 5 EDBDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000870122146 596759695 /nfs/dbraw/zinc/75/96/95/596759695.db2.gz JQVUMFZRVLGALG-GFCCVEGCSA-N 1 2 329.360 1.837 20 5 EDBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045632 596799241 /nfs/dbraw/zinc/79/92/41/596799241.db2.gz QCKNBVJGIILWLR-ZWNOBZJWSA-N 1 2 347.350 1.924 20 5 EDBDLO CN1CCCC[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000872672397 597024617 /nfs/dbraw/zinc/02/46/17/597024617.db2.gz NVMAOVIIJNKOQR-CQSZACIVSA-N 1 2 331.376 1.845 20 5 EDBDLO CN1CCCC[C@@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000872672397 597024619 /nfs/dbraw/zinc/02/46/19/597024619.db2.gz NVMAOVIIJNKOQR-CQSZACIVSA-N 1 2 331.376 1.845 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893694 597211816 /nfs/dbraw/zinc/21/18/16/597211816.db2.gz LIWLPMVAJNRKRT-AWEZNQCLSA-N 1 2 333.323 1.104 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000879928248 597768607 /nfs/dbraw/zinc/76/86/07/597768607.db2.gz ALYICTMPTPHPGN-QWHCGFSZSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000879928248 597768610 /nfs/dbraw/zinc/76/86/10/597768610.db2.gz ALYICTMPTPHPGN-QWHCGFSZSA-N 1 2 340.401 1.340 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cnns1 ZINC001031561900 697252682 /nfs/dbraw/zinc/25/26/82/697252682.db2.gz FQUXEPWVPIYWML-UHFFFAOYSA-N 1 2 333.373 1.308 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000558249842 306236521 /nfs/dbraw/zinc/23/65/21/306236521.db2.gz SCYZPAGUFAQUKW-UHFFFAOYSA-N 1 2 331.284 1.657 20 5 EDBDLO Cc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000178443224 232168177 /nfs/dbraw/zinc/16/81/77/232168177.db2.gz NAGQVSTXARSBNP-UHFFFAOYSA-N 1 2 338.389 1.811 20 5 EDBDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000356186033 299155261 /nfs/dbraw/zinc/15/52/61/299155261.db2.gz GGWBGJUPXZDSPI-OLZOCXBDSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000356186033 299155267 /nfs/dbraw/zinc/15/52/67/299155267.db2.gz GGWBGJUPXZDSPI-OLZOCXBDSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000104599081 219398778 /nfs/dbraw/zinc/39/87/78/219398778.db2.gz TXFNBAVONGOVBG-MNOVXSKESA-N 1 2 325.340 1.573 20 5 EDBDLO O=c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)occ1O ZINC000123940995 138322540 /nfs/dbraw/zinc/32/25/40/138322540.db2.gz ASSDMQCXDPZVGY-UHFFFAOYSA-N 1 2 331.328 1.576 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342351563 283375933 /nfs/dbraw/zinc/37/59/33/283375933.db2.gz VPYPMKYCERRIJZ-RYUDHWBXSA-N 1 2 349.391 1.234 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342351563 283375935 /nfs/dbraw/zinc/37/59/35/283375935.db2.gz VPYPMKYCERRIJZ-RYUDHWBXSA-N 1 2 349.391 1.234 20 5 EDBDLO CN(C)c1[nH+]cccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194224845 138988158 /nfs/dbraw/zinc/98/81/58/138988158.db2.gz LDJQTRBYFXFNMQ-UHFFFAOYSA-N 1 2 343.343 1.424 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080919314 217341415 /nfs/dbraw/zinc/34/14/15/217341415.db2.gz FZRBNGMQEBKRTI-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000081015522 217350038 /nfs/dbraw/zinc/35/00/38/217350038.db2.gz DYJRXZGXNJBWJI-CYBMUJFWSA-N 1 2 346.387 1.272 20 5 EDBDLO Nc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000247638609 139153236 /nfs/dbraw/zinc/15/32/36/139153236.db2.gz FRFBAKVSPJYTPZ-ZDUSSCGKSA-N 1 2 344.375 1.452 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094134040 218266421 /nfs/dbraw/zinc/26/64/21/218266421.db2.gz DTLNOQNZXPZUSG-UHFFFAOYSA-N 1 2 335.404 1.924 20 5 EDBDLO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC1 ZINC000490062712 255076977 /nfs/dbraw/zinc/07/69/77/255076977.db2.gz QXWZPRNOBDJOAW-CQSZACIVSA-N 1 2 348.359 1.882 20 5 EDBDLO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC1 ZINC000490062712 255076979 /nfs/dbraw/zinc/07/69/79/255076979.db2.gz QXWZPRNOBDJOAW-CQSZACIVSA-N 1 2 348.359 1.882 20 5 EDBDLO COCCO[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000189704045 533196759 /nfs/dbraw/zinc/19/67/59/533196759.db2.gz CZCARHSFYVDCMF-HNNXBMFYSA-N 1 2 349.387 1.221 20 5 EDBDLO COCCO[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000189704045 533196769 /nfs/dbraw/zinc/19/67/69/533196769.db2.gz CZCARHSFYVDCMF-HNNXBMFYSA-N 1 2 349.387 1.221 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000263891826 139367882 /nfs/dbraw/zinc/36/78/82/139367882.db2.gz UYUXJBDTGATNFK-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263921362 139369870 /nfs/dbraw/zinc/36/98/70/139369870.db2.gz SKRWGQWBNJYOCF-LBPRGKRZSA-N 1 2 332.364 1.619 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270943031 140204266 /nfs/dbraw/zinc/20/42/66/140204266.db2.gz RUPCQRQFVYWIKB-AWEZNQCLSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270943031 140204267 /nfs/dbraw/zinc/20/42/67/140204267.db2.gz RUPCQRQFVYWIKB-AWEZNQCLSA-N 1 2 346.387 1.538 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+](C)CCc2cnccn2)c([N+](=O)[O-])c1 ZINC000271328828 140279299 /nfs/dbraw/zinc/27/92/99/140279299.db2.gz LIMDMUMRXUOEKA-UHFFFAOYSA-N 1 2 345.359 1.506 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+](C)CCc2cnccn2)c([N+](=O)[O-])c1 ZINC000271328828 140279301 /nfs/dbraw/zinc/27/93/01/140279301.db2.gz LIMDMUMRXUOEKA-UHFFFAOYSA-N 1 2 345.359 1.506 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271386369 140288895 /nfs/dbraw/zinc/28/88/95/140288895.db2.gz SGIZWJVPIZARNY-SECBINFHSA-N 1 2 343.181 1.600 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000271386369 140288896 /nfs/dbraw/zinc/28/88/96/140288896.db2.gz SGIZWJVPIZARNY-SECBINFHSA-N 1 2 343.181 1.600 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000345275796 143072205 /nfs/dbraw/zinc/07/22/05/143072205.db2.gz YQCVXEJXUYUCIA-LBPRGKRZSA-N 1 2 344.375 1.908 20 5 EDBDLO CC(C)[C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345777294 143132431 /nfs/dbraw/zinc/13/24/31/143132431.db2.gz AWSBJHVZXUJVLX-ZDUSSCGKSA-N 1 2 332.360 1.775 20 5 EDBDLO Cc1c(CC(=O)NCC2([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000347281848 143303474 /nfs/dbraw/zinc/30/34/74/143303474.db2.gz WFQDCTFQEDWOJU-UHFFFAOYSA-N 1 2 333.388 1.427 20 5 EDBDLO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341073111 149063976 /nfs/dbraw/zinc/06/39/76/149063976.db2.gz NTCOVCMEPGGQEA-KGLIPLIRSA-N 1 2 348.403 1.772 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000355328312 150218608 /nfs/dbraw/zinc/21/86/08/150218608.db2.gz FFZBBGQNDKDQPV-UHFFFAOYSA-N 1 2 344.375 1.976 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000370001525 155275337 /nfs/dbraw/zinc/27/53/37/155275337.db2.gz IPYPFMDGLHZXHL-CQSZACIVSA-N 1 2 345.407 1.946 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000370001525 155275340 /nfs/dbraw/zinc/27/53/40/155275340.db2.gz IPYPFMDGLHZXHL-CQSZACIVSA-N 1 2 345.407 1.946 20 5 EDBDLO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000357590567 151077525 /nfs/dbraw/zinc/07/75/25/151077525.db2.gz AETXZZMOSFKBRR-LBPRGKRZSA-N 1 2 341.433 1.821 20 5 EDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000360918702 152251392 /nfs/dbraw/zinc/25/13/92/152251392.db2.gz LMKADEXKIIGSSY-UHFFFAOYSA-N 1 2 343.387 1.853 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350873643 286350817 /nfs/dbraw/zinc/35/08/17/286350817.db2.gz ZJOWZGXFKFWSTR-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350873643 286350819 /nfs/dbraw/zinc/35/08/19/286350819.db2.gz ZJOWZGXFKFWSTR-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO CN(CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000364056094 153134187 /nfs/dbraw/zinc/13/41/87/153134187.db2.gz KHDQUZMJYLZMBH-ZDUSSCGKSA-N 1 2 343.387 1.781 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364767011 153327513 /nfs/dbraw/zinc/32/75/13/153327513.db2.gz BXLWGGFDMZTQRT-CYBMUJFWSA-N 1 2 328.328 1.866 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373784041 157002304 /nfs/dbraw/zinc/00/23/04/157002304.db2.gz WCIDUOUVCNAAOZ-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000378506379 158194099 /nfs/dbraw/zinc/19/40/99/158194099.db2.gz HGVJVPXYDNBBKF-UHFFFAOYSA-N 1 2 344.327 1.793 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124175850 222387140 /nfs/dbraw/zinc/38/71/40/222387140.db2.gz YIQMTOWQJRBUFN-OCCSQVGLSA-N 1 2 346.391 1.796 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000032539642 267385628 /nfs/dbraw/zinc/38/56/28/267385628.db2.gz ATKFFVMRJZMDNE-LLVKDONJSA-N 1 2 347.375 1.796 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539642 267385632 /nfs/dbraw/zinc/38/56/32/267385632.db2.gz ATKFFVMRJZMDNE-LLVKDONJSA-N 1 2 347.375 1.796 20 5 EDBDLO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000273474247 268046902 /nfs/dbraw/zinc/04/69/02/268046902.db2.gz PFQDRUYVYOEGJY-GHMZBOCLSA-N 1 2 340.355 1.965 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273489358 268050843 /nfs/dbraw/zinc/05/08/43/268050843.db2.gz SCXXODCLXFICKX-UHFFFAOYSA-N 1 2 340.355 1.966 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273489358 268050846 /nfs/dbraw/zinc/05/08/46/268050846.db2.gz SCXXODCLXFICKX-UHFFFAOYSA-N 1 2 340.355 1.966 20 5 EDBDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000281603555 273499517 /nfs/dbraw/zinc/49/95/17/273499517.db2.gz YJXXGMZWBSYTRC-RYUDHWBXSA-N 1 2 334.355 1.748 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000281781728 273529046 /nfs/dbraw/zinc/52/90/46/273529046.db2.gz HJAYTHPHSCPLKY-LLVKDONJSA-N 1 2 332.364 1.447 20 5 EDBDLO C[S@](=O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000282282000 273621796 /nfs/dbraw/zinc/62/17/96/273621796.db2.gz VLGMBMWRCCNNBQ-DEOSSOPVSA-N 1 2 348.384 1.421 20 5 EDBDLO COc1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000283182141 273794135 /nfs/dbraw/zinc/79/41/35/273794135.db2.gz LPTLNVGBGKDMLH-UHFFFAOYSA-N 1 2 337.376 1.330 20 5 EDBDLO O=c1[nH]nc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000283909123 274006822 /nfs/dbraw/zinc/00/68/22/274006822.db2.gz FZXJFAMSYPHSED-UHFFFAOYSA-N 1 2 334.332 1.530 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286361792 287989029 /nfs/dbraw/zinc/98/90/29/287989029.db2.gz NDZOKERRKNYGNP-GHMZBOCLSA-N 1 2 337.405 1.603 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000124757801 279190421 /nfs/dbraw/zinc/19/04/21/279190421.db2.gz YVGOKBCVDQIICC-UHFFFAOYSA-N 1 2 344.419 1.971 20 5 EDBDLO CC[NH+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000264680080 279375016 /nfs/dbraw/zinc/37/50/16/279375016.db2.gz WPFUXMILHVEVAL-UHFFFAOYSA-N 1 2 349.359 1.733 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330828044 288181437 /nfs/dbraw/zinc/18/14/37/288181437.db2.gz IBWQJMSGWMNRDP-CHWSQXEVSA-N 1 2 341.433 1.393 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330828044 288181438 /nfs/dbraw/zinc/18/14/38/288181438.db2.gz IBWQJMSGWMNRDP-CHWSQXEVSA-N 1 2 341.433 1.393 20 5 EDBDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)O1 ZINC000372978390 280294110 /nfs/dbraw/zinc/29/41/10/280294110.db2.gz VKIDMGPGGQYRMY-CQSZACIVSA-N 1 2 336.304 1.577 20 5 EDBDLO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)O1 ZINC000372978390 280294112 /nfs/dbraw/zinc/29/41/12/280294112.db2.gz VKIDMGPGGQYRMY-CQSZACIVSA-N 1 2 336.304 1.577 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000371735879 281544539 /nfs/dbraw/zinc/54/45/39/281544539.db2.gz MFLNFSNPLVKEKI-UHFFFAOYSA-N 1 2 344.327 1.527 20 5 EDBDLO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000420608759 304770597 /nfs/dbraw/zinc/77/05/97/304770597.db2.gz JDSLPJKJSJQKCI-LLVKDONJSA-N 1 2 327.344 1.780 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000372865545 447324790 /nfs/dbraw/zinc/32/47/90/447324790.db2.gz IXRLRGYVNMUIGQ-UHFFFAOYSA-N 1 2 330.348 1.377 20 5 EDBDLO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000294390599 303101061 /nfs/dbraw/zinc/10/10/61/303101061.db2.gz OBFFWWOZJBGPPO-CYBMUJFWSA-N 1 2 349.387 1.395 20 5 EDBDLO COC(=O)c1coc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000296092515 303295137 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YBSFKQJZJPWXDG-AWEZNQCLSA-N 1 2 335.360 1.005 20 5 EDBDLO C[N@H+]1CCO[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294838912 444148665 /nfs/dbraw/zinc/14/86/65/444148665.db2.gz YBSFKQJZJPWXDG-AWEZNQCLSA-N 1 2 335.360 1.005 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294838916 444148801 /nfs/dbraw/zinc/14/88/01/444148801.db2.gz YBSFKQJZJPWXDG-CQSZACIVSA-N 1 2 335.360 1.005 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294838916 444148807 /nfs/dbraw/zinc/14/88/07/444148807.db2.gz YBSFKQJZJPWXDG-CQSZACIVSA-N 1 2 335.360 1.005 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282339804 444152127 /nfs/dbraw/zinc/15/21/27/444152127.db2.gz VFHHOJVQUJWRPD-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282339804 444152132 /nfs/dbraw/zinc/15/21/32/444152132.db2.gz VFHHOJVQUJWRPD-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000338608758 444772529 /nfs/dbraw/zinc/77/25/29/444772529.db2.gz WQPWRLKCVZLYMQ-GFCCVEGCSA-N 1 2 337.376 1.132 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000338608758 444772534 /nfs/dbraw/zinc/77/25/34/444772534.db2.gz WQPWRLKCVZLYMQ-GFCCVEGCSA-N 1 2 337.376 1.132 20 5 EDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000337315964 445029885 /nfs/dbraw/zinc/02/98/85/445029885.db2.gz YEPUNVSVDGJRKY-UHFFFAOYSA-N 1 2 344.375 1.234 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337331235 445035762 /nfs/dbraw/zinc/03/57/62/445035762.db2.gz HPAISDJDUZJVMK-UHFFFAOYSA-N 1 2 328.328 1.479 20 5 EDBDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000330633298 445071028 /nfs/dbraw/zinc/07/10/28/445071028.db2.gz SCJVSUVZHYUZAG-LLVKDONJSA-N 1 2 344.165 1.626 20 5 EDBDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000330633298 445071032 /nfs/dbraw/zinc/07/10/32/445071032.db2.gz SCJVSUVZHYUZAG-LLVKDONJSA-N 1 2 344.165 1.626 20 5 EDBDLO C[C@H](N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000337487859 445102250 /nfs/dbraw/zinc/10/22/50/445102250.db2.gz UFWJCDTZFIWOST-FZMZJTMJSA-N 1 2 349.366 1.482 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351808669 445328676 /nfs/dbraw/zinc/32/86/76/445328676.db2.gz KECNXGKLCCKRIK-JRKPZEMJSA-N 1 2 327.768 1.888 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351808669 445328678 /nfs/dbraw/zinc/32/86/78/445328678.db2.gz KECNXGKLCCKRIK-JRKPZEMJSA-N 1 2 327.768 1.888 20 5 EDBDLO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000359777134 445422981 /nfs/dbraw/zinc/42/29/81/445422981.db2.gz FIXGMVIMGBNEDJ-IAQYHMDHSA-N 1 2 337.351 1.527 20 5 EDBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352893314 445562907 /nfs/dbraw/zinc/56/29/07/445562907.db2.gz 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CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363098319 445676547 /nfs/dbraw/zinc/67/65/47/445676547.db2.gz LAVHSASKWHTMFM-UHFFFAOYSA-N 1 2 349.391 1.189 20 5 EDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363098319 445676552 /nfs/dbraw/zinc/67/65/52/445676552.db2.gz LAVHSASKWHTMFM-UHFFFAOYSA-N 1 2 349.391 1.189 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000350829994 445920615 /nfs/dbraw/zinc/92/06/15/445920615.db2.gz KSYLYNZRFKDVSL-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000350829994 445920619 /nfs/dbraw/zinc/92/06/19/445920619.db2.gz KSYLYNZRFKDVSL-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000350973555 445960887 /nfs/dbraw/zinc/96/08/87/445960887.db2.gz WKFTYBYTADNTMR-NEPJUHHUSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000350973555 445960892 /nfs/dbraw/zinc/96/08/92/445960892.db2.gz WKFTYBYTADNTMR-NEPJUHHUSA-N 1 2 327.406 1.449 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000356895662 446103548 /nfs/dbraw/zinc/10/35/48/446103548.db2.gz PTDZMKCNBYZKIB-OIISXLGYSA-N 1 2 347.415 1.705 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000356895662 446103557 /nfs/dbraw/zinc/10/35/57/446103557.db2.gz PTDZMKCNBYZKIB-OIISXLGYSA-N 1 2 347.415 1.705 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369365698 446106275 /nfs/dbraw/zinc/10/62/75/446106275.db2.gz FJJPARSMSAIQNK-UHFFFAOYSA-N 1 2 343.387 1.859 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+]2CCc3n[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000351617906 446211955 /nfs/dbraw/zinc/21/19/55/446211955.db2.gz FEZDKZZQYAMRPV-UHFFFAOYSA-N 1 2 330.348 1.408 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+]2CCc3n[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000351617906 446211973 /nfs/dbraw/zinc/21/19/73/446211973.db2.gz FEZDKZZQYAMRPV-UHFFFAOYSA-N 1 2 330.348 1.408 20 5 EDBDLO COC(=O)c1cc(NC(=O)c2cc(C[NH+](C)C)on2)cc([N+](=O)[O-])c1 ZINC000359449099 446228869 /nfs/dbraw/zinc/22/88/69/446228869.db2.gz RWVLLYJWOAULCH-UHFFFAOYSA-N 1 2 348.315 1.683 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376174267 446367497 /nfs/dbraw/zinc/36/74/97/446367497.db2.gz QLTGDKIBMCOCRO-OCCSQVGLSA-N 1 2 349.387 1.539 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)n1 ZINC000374859922 446420980 /nfs/dbraw/zinc/42/09/80/446420980.db2.gz FZOYMGFSNBOZLG-LBPRGKRZSA-N 1 2 349.778 1.768 20 5 EDBDLO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000375005774 446508671 /nfs/dbraw/zinc/50/86/71/446508671.db2.gz UEILXWBHNWJSQK-YOEHRIQHSA-N 1 2 340.383 1.676 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC000371146183 446655017 /nfs/dbraw/zinc/65/50/17/446655017.db2.gz FDRXTAWMNSZVCY-UHFFFAOYSA-N 1 2 347.371 1.871 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000371163584 446664521 /nfs/dbraw/zinc/66/45/21/446664521.db2.gz GOXIKYMJAFILQN-IUODEOHRSA-N 1 2 338.314 1.877 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000371163584 446664530 /nfs/dbraw/zinc/66/45/30/446664530.db2.gz GOXIKYMJAFILQN-IUODEOHRSA-N 1 2 338.314 1.877 20 5 EDBDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375405001 446778116 /nfs/dbraw/zinc/77/81/16/446778116.db2.gz PIYVQXFKUUDBIT-JTQLQIEISA-N 1 2 349.313 1.449 20 5 EDBDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375405001 446778124 /nfs/dbraw/zinc/77/81/24/446778124.db2.gz PIYVQXFKUUDBIT-JTQLQIEISA-N 1 2 349.313 1.449 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000371437287 446855238 /nfs/dbraw/zinc/85/52/38/446855238.db2.gz DRTCKVSUZUVDPW-LBPRGKRZSA-N 1 2 332.364 1.885 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C(=O)C2CC2)C1 ZINC000420982681 446958652 /nfs/dbraw/zinc/95/86/52/446958652.db2.gz AMIFOGVBPNFURC-UHFFFAOYSA-N 1 2 346.387 1.744 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C(=O)C2CC2)C1 ZINC000420982681 446958655 /nfs/dbraw/zinc/95/86/55/446958655.db2.gz AMIFOGVBPNFURC-UHFFFAOYSA-N 1 2 346.387 1.744 20 5 EDBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000377217195 447000071 /nfs/dbraw/zinc/00/00/71/447000071.db2.gz XPQJQVZSMYADQI-SJCJKPOMSA-N 1 2 349.387 1.464 20 5 EDBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000377217195 447000079 /nfs/dbraw/zinc/00/00/79/447000079.db2.gz XPQJQVZSMYADQI-SJCJKPOMSA-N 1 2 349.387 1.464 20 5 EDBDLO Cc1nc(N(C)C)nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH+]1 ZINC000443959339 447070777 /nfs/dbraw/zinc/07/07/77/447070777.db2.gz HXHFSKISBTUQIS-UHFFFAOYSA-N 1 2 328.336 1.643 20 5 EDBDLO Cc1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(N(C)C)[nH+]1 ZINC000443959339 447070783 /nfs/dbraw/zinc/07/07/83/447070783.db2.gz HXHFSKISBTUQIS-UHFFFAOYSA-N 1 2 328.336 1.643 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377660088 447278022 /nfs/dbraw/zinc/27/80/22/447278022.db2.gz SVFJAOQTTCKBEN-CZUORRHYSA-N 1 2 335.404 1.898 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000494724340 447457408 /nfs/dbraw/zinc/45/74/08/447457408.db2.gz ZSYJSMGLPUHKCM-CYBMUJFWSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000494724340 447457415 /nfs/dbraw/zinc/45/74/15/447457415.db2.gz ZSYJSMGLPUHKCM-CYBMUJFWSA-N 1 2 343.405 1.117 20 5 EDBDLO O=C(NCC1(CO)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450565022 447528312 /nfs/dbraw/zinc/52/83/12/447528312.db2.gz NPEIHMYENXDWAW-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450376027 447472861 /nfs/dbraw/zinc/47/28/61/447472861.db2.gz IGJRGJCNHQRDAO-CYBMUJFWSA-N 1 2 346.387 1.272 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000495928899 447650499 /nfs/dbraw/zinc/65/04/99/447650499.db2.gz AQKKNCKBZNSDFE-LBPRGKRZSA-N 1 2 325.369 1.528 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000495928899 447650506 /nfs/dbraw/zinc/65/05/06/447650506.db2.gz AQKKNCKBZNSDFE-LBPRGKRZSA-N 1 2 325.369 1.528 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](CO)O1 ZINC000451084062 447674592 /nfs/dbraw/zinc/67/45/92/447674592.db2.gz PKSJQACKKTXINT-WCQYABFASA-N 1 2 346.343 1.002 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](CO)O1 ZINC000451084060 447674744 /nfs/dbraw/zinc/67/47/44/447674744.db2.gz PKSJQACKKTXINT-AAEUAGOBSA-N 1 2 346.343 1.002 20 5 EDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451931702 447789284 /nfs/dbraw/zinc/78/92/84/447789284.db2.gz LWIUUCXGBTVDSG-LBPRGKRZSA-N 1 2 327.406 1.700 20 5 EDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451931702 447789287 /nfs/dbraw/zinc/78/92/87/447789287.db2.gz LWIUUCXGBTVDSG-LBPRGKRZSA-N 1 2 327.406 1.700 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c(F)c1N1CCOCC1 ZINC000570294798 447982381 /nfs/dbraw/zinc/98/23/81/447982381.db2.gz VUXRYYDTMMMICO-UHFFFAOYSA-N 1 2 347.350 1.787 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492025117 448159339 /nfs/dbraw/zinc/15/93/39/448159339.db2.gz SFEZMRAREQSJOR-NSHDSACASA-N 1 2 336.373 1.393 20 5 EDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000492987511 448337688 /nfs/dbraw/zinc/33/76/88/448337688.db2.gz NLOQQDKKCWKRFI-ZMAHGOAUSA-N 1 2 331.372 1.587 20 5 EDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000492987511 448337693 /nfs/dbraw/zinc/33/76/93/448337693.db2.gz NLOQQDKKCWKRFI-ZMAHGOAUSA-N 1 2 331.372 1.587 20 5 EDBDLO COc1c(N)[nH+]cnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000572422996 448374792 /nfs/dbraw/zinc/37/47/92/448374792.db2.gz OCVKRLRAZUILPC-UHFFFAOYSA-N 1 2 330.348 1.302 20 5 EDBDLO COc1c(N)nc[nH+]c1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000572422996 448374800 /nfs/dbraw/zinc/37/48/00/448374800.db2.gz OCVKRLRAZUILPC-UHFFFAOYSA-N 1 2 330.348 1.302 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000572716109 448446626 /nfs/dbraw/zinc/44/66/26/448446626.db2.gz XSODXXMDWBPDLL-GWCFXTLKSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000572716109 448446631 /nfs/dbraw/zinc/44/66/31/448446631.db2.gz XSODXXMDWBPDLL-GWCFXTLKSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2noc(C3CC3)n2)c1 ZINC000518168552 448650436 /nfs/dbraw/zinc/65/04/36/448650436.db2.gz HDPJBDPNFQIQBT-GFCCVEGCSA-N 1 2 334.332 1.385 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597847716 449120916 /nfs/dbraw/zinc/12/09/16/449120916.db2.gz RFQRLKKTLWTHNW-CYBMUJFWSA-N 1 2 347.375 1.521 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000604478438 449236384 /nfs/dbraw/zinc/23/63/84/449236384.db2.gz NOEPGSAFXAKYBV-UHFFFAOYSA-N 1 2 336.352 1.043 20 5 EDBDLO C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000590680658 449244660 /nfs/dbraw/zinc/24/46/60/449244660.db2.gz QYPALMVXJRKNSL-BLLLJJGKSA-N 1 2 349.387 1.393 20 5 EDBDLO C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000590680658 449244663 /nfs/dbraw/zinc/24/46/63/449244663.db2.gz QYPALMVXJRKNSL-BLLLJJGKSA-N 1 2 349.387 1.393 20 5 EDBDLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602036837 449291340 /nfs/dbraw/zinc/29/13/40/449291340.db2.gz NLXCQPWUICWEHU-CHWSQXEVSA-N 1 2 341.371 1.770 20 5 EDBDLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602036837 449291343 /nfs/dbraw/zinc/29/13/43/449291343.db2.gz NLXCQPWUICWEHU-CHWSQXEVSA-N 1 2 341.371 1.770 20 5 EDBDLO C[C@H](O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598236085 449304078 /nfs/dbraw/zinc/30/40/78/449304078.db2.gz HBTYUAPYJTWUDB-WCQYABFASA-N 1 2 330.344 1.766 20 5 EDBDLO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)C1 ZINC000593913149 449282096 /nfs/dbraw/zinc/28/20/96/449282096.db2.gz RQOPHVFLYALSPH-ZENOOKHLSA-N 1 2 349.387 1.659 20 5 EDBDLO O=C(NC[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598292297 449340100 /nfs/dbraw/zinc/34/01/00/449340100.db2.gz HFPDPCXKFRWOGQ-CYBMUJFWSA-N 1 2 344.371 1.919 20 5 EDBDLO COc1cc(NCCC[N@@H+]2CCNC(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596171781 449396545 /nfs/dbraw/zinc/39/65/45/449396545.db2.gz DGEGDUAZVODLHF-UHFFFAOYSA-N 1 2 342.783 1.491 20 5 EDBDLO COc1cc(NCCC[N@H+]2CCNC(=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596171781 449396549 /nfs/dbraw/zinc/39/65/49/449396549.db2.gz DGEGDUAZVODLHF-UHFFFAOYSA-N 1 2 342.783 1.491 20 5 EDBDLO CC(C)(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1c[nH+]c[nH]1 ZINC000598686456 449543718 /nfs/dbraw/zinc/54/37/18/449543718.db2.gz KYFRLZHRNBQBKE-NSHDSACASA-N 1 2 344.375 1.704 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)c(C)c1[N+](=O)[O-] ZINC000598619416 449496885 /nfs/dbraw/zinc/49/68/85/449496885.db2.gz ROSYEUXDVUWQRS-LLVKDONJSA-N 1 2 338.389 1.985 20 5 EDBDLO CO[C@](C)(CO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594511413 449559360 /nfs/dbraw/zinc/55/93/60/449559360.db2.gz MXQSVKKREUONDE-ZBFHGGJFSA-N 1 2 334.376 1.405 20 5 EDBDLO O=[N+]([O-])c1c(NC[C@@]2(OCCO)CCOC2)ccc2c[nH+]ccc21 ZINC000599102982 449734337 /nfs/dbraw/zinc/73/43/37/449734337.db2.gz ROFUUPGHANVBHV-INIZCTEOSA-N 1 2 333.344 1.723 20 5 EDBDLO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000617722432 449776904 /nfs/dbraw/zinc/77/69/04/449776904.db2.gz XLKXUHQFLYZAQY-BFHYXJOUSA-N 1 2 335.404 1.924 20 5 EDBDLO Cc1cc(NC[C@H](O)[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599132804 449755261 /nfs/dbraw/zinc/75/52/61/449755261.db2.gz PBARHAKEZLSRKE-GJZGRUSLSA-N 1 2 344.371 1.734 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000602762472 449789281 /nfs/dbraw/zinc/78/92/81/449789281.db2.gz JGJBHOGTONJJLM-UHFFFAOYSA-N 1 2 348.384 1.715 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601383795 449900192 /nfs/dbraw/zinc/90/01/92/449900192.db2.gz PUEXNIOCXIHNDI-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601383795 449900197 /nfs/dbraw/zinc/90/01/97/449900197.db2.gz PUEXNIOCXIHNDI-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595219534 449954904 /nfs/dbraw/zinc/95/49/04/449954904.db2.gz IOEHYDABBBYPFO-SNVBAGLBSA-N 1 2 345.359 1.707 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(F)cc1[N+](=O)[O-] ZINC000601416780 449933619 /nfs/dbraw/zinc/93/36/19/449933619.db2.gz YPSUJNGPAFMOHD-UHFFFAOYSA-N 1 2 340.336 1.443 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000602913961 449916485 /nfs/dbraw/zinc/91/64/85/449916485.db2.gz AAMHRTMDZJYMPX-UHFFFAOYSA-N 1 2 329.360 1.578 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000602913961 449916489 /nfs/dbraw/zinc/91/64/89/449916489.db2.gz AAMHRTMDZJYMPX-UHFFFAOYSA-N 1 2 329.360 1.578 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000609037639 449956522 /nfs/dbraw/zinc/95/65/22/449956522.db2.gz OLIFMLPOLAMJQQ-UHFFFAOYSA-N 1 2 331.254 1.622 20 5 EDBDLO CCOC(=O)[C@]1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000603003046 449998220 /nfs/dbraw/zinc/99/82/20/449998220.db2.gz REVLDKPMNMYUDX-INIZCTEOSA-N 1 2 338.360 1.628 20 5 EDBDLO CCOC(=O)[C@]1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000603003046 449998224 /nfs/dbraw/zinc/99/82/24/449998224.db2.gz REVLDKPMNMYUDX-INIZCTEOSA-N 1 2 338.360 1.628 20 5 EDBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)sn1 ZINC000595287105 450003017 /nfs/dbraw/zinc/00/30/17/450003017.db2.gz LHDXAFLVLGATMV-UHFFFAOYSA-N 1 2 335.389 1.777 20 5 EDBDLO Cn1cc(C[NH+]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000595311351 450023796 /nfs/dbraw/zinc/02/37/96/450023796.db2.gz MCIFMNWTDVPBOQ-UHFFFAOYSA-N 1 2 333.367 1.785 20 5 EDBDLO CCc1n[nH]c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000609476872 450033558 /nfs/dbraw/zinc/03/35/58/450033558.db2.gz QRJGJZSRSVPFNZ-UHFFFAOYSA-N 1 2 329.360 1.626 20 5 EDBDLO COc1ccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595448514 450149547 /nfs/dbraw/zinc/14/95/47/450149547.db2.gz JGPHMQQPJIXGPE-JTQLQIEISA-N 1 2 333.348 1.897 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597621661 450151267 /nfs/dbraw/zinc/15/12/67/450151267.db2.gz ZNAAMURPIRFHNW-CQSZACIVSA-N 1 2 349.387 1.627 20 5 EDBDLO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])n3C)[nH+]c12 ZINC000610435064 450217532 /nfs/dbraw/zinc/21/75/32/450217532.db2.gz WPAURKPNDXYCEF-UHFFFAOYSA-N 1 2 327.344 1.862 20 5 EDBDLO Cc1cccn2cc(CCNC(=O)Cn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000610434615 450217725 /nfs/dbraw/zinc/21/77/25/450217725.db2.gz BIQHDSMEEBEKCA-UHFFFAOYSA-N 1 2 328.332 1.106 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000603373803 450269027 /nfs/dbraw/zinc/26/90/27/450269027.db2.gz GGVORMSUGVDZIL-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000603373803 450269029 /nfs/dbraw/zinc/26/90/29/450269029.db2.gz GGVORMSUGVDZIL-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000610855283 450357642 /nfs/dbraw/zinc/35/76/42/450357642.db2.gz VQGOGUPMCXJVNS-UHFFFAOYSA-N 1 2 345.340 1.976 20 5 EDBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610913571 450378557 /nfs/dbraw/zinc/37/85/57/450378557.db2.gz DQRQDUULCREHAZ-CYBMUJFWSA-N 1 2 344.371 1.623 20 5 EDBDLO COc1ccc(NC(=O)C[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186977958 534076431 /nfs/dbraw/zinc/07/64/31/534076431.db2.gz GOVNBKGMOLFPTN-UHFFFAOYSA-N 1 2 337.376 1.636 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188739964 526080342 /nfs/dbraw/zinc/08/03/42/526080342.db2.gz ZJQYCQHBOYSKPE-LLVKDONJSA-N 1 2 339.417 1.455 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188739964 526080350 /nfs/dbraw/zinc/08/03/50/526080350.db2.gz ZJQYCQHBOYSKPE-LLVKDONJSA-N 1 2 339.417 1.455 20 5 EDBDLO CCOCCOCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000190261554 528800370 /nfs/dbraw/zinc/80/03/70/528800370.db2.gz XSYYEYJCNLPTDO-UHFFFAOYSA-N 1 2 325.365 1.518 20 5 EDBDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000190261554 528800373 /nfs/dbraw/zinc/80/03/73/528800373.db2.gz XSYYEYJCNLPTDO-UHFFFAOYSA-N 1 2 325.365 1.518 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000331793617 535323773 /nfs/dbraw/zinc/32/37/73/535323773.db2.gz KJAZYAGTYSHUJF-UHFFFAOYSA-N 1 2 332.364 1.904 20 5 EDBDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)Cn1cc[nH+]c1 ZINC000736025456 578947277 /nfs/dbraw/zinc/94/72/77/578947277.db2.gz GVNBXBAUHZJVCF-VIFPVBQESA-N 1 2 329.324 1.115 20 5 EDBDLO Cc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000749720967 579736727 /nfs/dbraw/zinc/73/67/27/579736727.db2.gz PKPVQUQDBJRUIU-UHFFFAOYSA-N 1 2 327.304 1.137 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000754218491 579898706 /nfs/dbraw/zinc/89/87/06/579898706.db2.gz JVTKGVFVMYQIFR-INIZCTEOSA-N 1 2 344.327 1.990 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000754218491 579898707 /nfs/dbraw/zinc/89/87/07/579898707.db2.gz JVTKGVFVMYQIFR-INIZCTEOSA-N 1 2 344.327 1.990 20 5 EDBDLO O=C1CN([C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)c2ccccc2N1 ZINC000758975177 579995687 /nfs/dbraw/zinc/99/56/87/579995687.db2.gz PQHNVBGDSWNTQY-LBPRGKRZSA-N 1 2 342.359 1.282 20 5 EDBDLO O=C1CN([C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)c2ccccc2N1 ZINC000758975177 579995688 /nfs/dbraw/zinc/99/56/88/579995688.db2.gz PQHNVBGDSWNTQY-LBPRGKRZSA-N 1 2 342.359 1.282 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000762220009 580070033 /nfs/dbraw/zinc/07/00/33/580070033.db2.gz AAMCPYJEFDGXDC-UHFFFAOYSA-N 1 2 338.287 1.626 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564197 580193041 /nfs/dbraw/zinc/19/30/41/580193041.db2.gz CCJVREAKQQMIBW-AOOOYVTPSA-N 1 2 339.323 1.336 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564197 580193042 /nfs/dbraw/zinc/19/30/42/580193042.db2.gz CCJVREAKQQMIBW-AOOOYVTPSA-N 1 2 339.323 1.336 20 5 EDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000768854067 580222552 /nfs/dbraw/zinc/22/25/52/580222552.db2.gz PVHWZXRTHGTAKC-VIFPVBQESA-N 1 2 342.402 1.948 20 5 EDBDLO Cc1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000769478895 580237992 /nfs/dbraw/zinc/23/79/92/580237992.db2.gz FSWDXACEJDLAOY-QFIPXVFZSA-N 1 2 325.434 1.399 20 5 EDBDLO Cc1cn(C[N@H+]2CCCOC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772821131 580321256 /nfs/dbraw/zinc/32/12/56/580321256.db2.gz JRFZJXVXUPBKFT-AWEZNQCLSA-N 1 2 346.387 1.924 20 5 EDBDLO Cc1cn(C[N@@H+]2CCCOC[C@@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772821131 580321257 /nfs/dbraw/zinc/32/12/57/580321257.db2.gz JRFZJXVXUPBKFT-AWEZNQCLSA-N 1 2 346.387 1.924 20 5 EDBDLO C[N@@H+](CC(=O)NCc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579345 580422032 /nfs/dbraw/zinc/42/20/32/580422032.db2.gz NSOANPCWOSAAGY-HNNXBMFYSA-N 1 2 333.344 1.469 20 5 EDBDLO C[N@H+](CC(=O)NCc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579345 580422033 /nfs/dbraw/zinc/42/20/33/580422033.db2.gz NSOANPCWOSAAGY-HNNXBMFYSA-N 1 2 333.344 1.469 20 5 EDBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592372 580423178 /nfs/dbraw/zinc/42/31/78/580423178.db2.gz MVVSCBJSVAFYBJ-DLBZAZTESA-N 1 2 341.367 1.713 20 5 EDBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592372 580423179 /nfs/dbraw/zinc/42/31/79/580423179.db2.gz MVVSCBJSVAFYBJ-DLBZAZTESA-N 1 2 341.367 1.713 20 5 EDBDLO COc1c(C)c[nH+]c(COC(=O)c2cc([N+](=O)[O-])cnc2N)c1C ZINC000781666530 580554165 /nfs/dbraw/zinc/55/41/65/580554165.db2.gz PUZIOUYGYBQBQC-UHFFFAOYSA-N 1 2 332.316 1.949 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000782236305 580569570 /nfs/dbraw/zinc/56/95/70/580569570.db2.gz BPYKZSCDEQHPNF-GFCCVEGCSA-N 1 2 340.401 1.951 20 5 EDBDLO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782614778 580580351 /nfs/dbraw/zinc/58/03/51/580580351.db2.gz GGSRPBPNJMCQMM-LKFCYVNXSA-N 1 2 325.752 1.501 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782614778 580580352 /nfs/dbraw/zinc/58/03/52/580580352.db2.gz GGSRPBPNJMCQMM-LKFCYVNXSA-N 1 2 325.752 1.501 20 5 EDBDLO COC(=O)[C@H]1CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C ZINC000787243404 580690464 /nfs/dbraw/zinc/69/04/64/580690464.db2.gz WKFMWJQPUPSHRI-ZJUUUORDSA-N 1 2 347.327 1.032 20 5 EDBDLO COC(=O)[C@H]1CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C ZINC000787243404 580690465 /nfs/dbraw/zinc/69/04/65/580690465.db2.gz WKFMWJQPUPSHRI-ZJUUUORDSA-N 1 2 347.327 1.032 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789541135 580748905 /nfs/dbraw/zinc/74/89/05/580748905.db2.gz LXNUOLRFGSSRLE-QGZVFWFLSA-N 1 2 345.355 1.651 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789541135 580748906 /nfs/dbraw/zinc/74/89/06/580748906.db2.gz LXNUOLRFGSSRLE-QGZVFWFLSA-N 1 2 345.355 1.651 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790644109 580774660 /nfs/dbraw/zinc/77/46/60/580774660.db2.gz REGDDBZZBKAZCC-UHFFFAOYSA-N 1 2 326.715 1.980 20 5 EDBDLO O=C(NCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000799140587 581018434 /nfs/dbraw/zinc/01/84/34/581018434.db2.gz HEAYZCVBRQGLJC-UHFFFAOYSA-N 1 2 335.286 1.139 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563491 581080007 /nfs/dbraw/zinc/08/00/07/581080007.db2.gz PDNUSTWBZZDZPT-ZWNOBZJWSA-N 1 2 332.303 1.300 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563491 581080008 /nfs/dbraw/zinc/08/00/08/581080008.db2.gz PDNUSTWBZZDZPT-ZWNOBZJWSA-N 1 2 332.303 1.300 20 5 EDBDLO CC(=O)c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000895254715 591683890 /nfs/dbraw/zinc/68/38/90/591683890.db2.gz XYNJETBTKHGYPE-UHFFFAOYSA-N 1 2 335.360 1.658 20 5 EDBDLO CC(=O)c1ccc(NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000895254715 591683892 /nfs/dbraw/zinc/68/38/92/591683892.db2.gz XYNJETBTKHGYPE-UHFFFAOYSA-N 1 2 335.360 1.658 20 5 EDBDLO CO[C@@H]1CC[C@@H]1[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000902639805 592033903 /nfs/dbraw/zinc/03/39/03/592033903.db2.gz XXECFNVCBGMHSO-SQWLQELKSA-N 1 2 335.360 1.599 20 5 EDBDLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000902639805 592033906 /nfs/dbraw/zinc/03/39/06/592033906.db2.gz XXECFNVCBGMHSO-SQWLQELKSA-N 1 2 335.360 1.599 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900601103 592065528 /nfs/dbraw/zinc/06/55/28/592065528.db2.gz DVKMRLAHVFJBQC-SECBINFHSA-N 1 2 345.758 1.526 20 5 EDBDLO COc1ccc(NC(=O)/C=C(/C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000907301262 592591776 /nfs/dbraw/zinc/59/17/76/592591776.db2.gz WFDSBKBXPLESEM-XFXZXTDPSA-N 1 2 335.360 1.820 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000814173188 593577497 /nfs/dbraw/zinc/57/74/97/593577497.db2.gz KGYOHGQEAOUWMA-HBYGRHMLSA-N 1 2 334.328 1.217 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000814173188 593577499 /nfs/dbraw/zinc/57/74/99/593577499.db2.gz KGYOHGQEAOUWMA-HBYGRHMLSA-N 1 2 334.328 1.217 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831782518 594702607 /nfs/dbraw/zinc/70/26/07/594702607.db2.gz OZGLXUNWWPUYLJ-CABCVRRESA-N 1 2 342.417 1.527 20 5 EDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831782518 594702608 /nfs/dbraw/zinc/70/26/08/594702608.db2.gz OZGLXUNWWPUYLJ-CABCVRRESA-N 1 2 342.417 1.527 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000832547515 594758203 /nfs/dbraw/zinc/75/82/03/594758203.db2.gz HAVVQHLPEAGLBV-JTQLQIEISA-N 1 2 343.330 1.320 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000832547515 594758204 /nfs/dbraw/zinc/75/82/04/594758204.db2.gz HAVVQHLPEAGLBV-JTQLQIEISA-N 1 2 343.330 1.320 20 5 EDBDLO CN1CC[NH+](C[C@H](O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000840767996 594815426 /nfs/dbraw/zinc/81/54/26/594815426.db2.gz YXMDBGLABRGPSY-NSHDSACASA-N 1 2 329.784 1.235 20 5 EDBDLO O=C1CC(F)(F)CN1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000841684776 594937191 /nfs/dbraw/zinc/93/71/91/594937191.db2.gz NITFJZYTYSKZOU-UHFFFAOYSA-N 1 2 329.307 1.253 20 5 EDBDLO C[NH+](C)Cc1csc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000837264527 595070832 /nfs/dbraw/zinc/07/08/32/595070832.db2.gz ZXYWKTGGSFMPOC-GFCCVEGCSA-N 1 2 336.373 1.785 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000102772806 595082073 /nfs/dbraw/zinc/08/20/73/595082073.db2.gz LXAQXKQJOUVBLF-UHFFFAOYSA-N 1 2 343.405 1.208 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000102772806 595082077 /nfs/dbraw/zinc/08/20/77/595082077.db2.gz LXAQXKQJOUVBLF-UHFFFAOYSA-N 1 2 343.405 1.208 20 5 EDBDLO O=C(CC1CCCC1)NC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000109000416 595706321 /nfs/dbraw/zinc/70/63/21/595706321.db2.gz XGVCMZFJFIDBSS-UHFFFAOYSA-N 1 2 335.408 1.910 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853585940 595815243 /nfs/dbraw/zinc/81/52/43/595815243.db2.gz LQUBERGVDAVHRN-WDEREUQCSA-N 1 2 331.328 1.117 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853585940 595815246 /nfs/dbraw/zinc/81/52/46/595815246.db2.gz LQUBERGVDAVHRN-WDEREUQCSA-N 1 2 331.328 1.117 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852128127 596053936 /nfs/dbraw/zinc/05/39/36/596053936.db2.gz GXGPUMIQBMHFPQ-UHFFFAOYSA-N 1 2 347.350 1.855 20 5 EDBDLO COC[C@@]1(C)C[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000863342308 596557342 /nfs/dbraw/zinc/55/73/42/596557342.db2.gz AMEISRBCVJGPRI-MRXNPFEDSA-N 1 2 334.376 1.948 20 5 EDBDLO COC[C@@]1(C)C[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000863342308 596557344 /nfs/dbraw/zinc/55/73/44/596557344.db2.gz AMEISRBCVJGPRI-MRXNPFEDSA-N 1 2 334.376 1.948 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865432677 596573576 /nfs/dbraw/zinc/57/35/76/596573576.db2.gz LDYPXJHOAOUKSJ-UHFFFAOYSA-N 1 2 342.346 1.791 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)/C=C\C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000866374838 596868861 /nfs/dbraw/zinc/86/88/61/596868861.db2.gz OMLQFVOOEVVUEW-VQTKUKTRSA-N 1 2 333.388 1.969 20 5 EDBDLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000872779182 597063623 /nfs/dbraw/zinc/06/36/23/597063623.db2.gz OLSFHJWNAHGMCC-QWHCGFSZSA-N 1 2 339.417 1.671 20 5 EDBDLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000872779182 597063625 /nfs/dbraw/zinc/06/36/25/597063625.db2.gz OLSFHJWNAHGMCC-QWHCGFSZSA-N 1 2 339.417 1.671 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000874705987 597150721 /nfs/dbraw/zinc/15/07/21/597150721.db2.gz JEYAOLLYKDLFOC-GFCCVEGCSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000874705987 597150723 /nfs/dbraw/zinc/15/07/23/597150723.db2.gz 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O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035847 217354235 /nfs/dbraw/zinc/35/42/35/217354235.db2.gz UIVJTNGSMYEEGE-UHFFFAOYSA-N 1 2 325.390 1.593 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093441371 218226229 /nfs/dbraw/zinc/22/62/29/218226229.db2.gz LSRGELYRCGIEAB-NHYWBVRUSA-N 1 2 346.339 1.963 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093441371 218226231 /nfs/dbraw/zinc/22/62/31/218226231.db2.gz LSRGELYRCGIEAB-NHYWBVRUSA-N 1 2 346.339 1.963 20 5 EDBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377718607 285090986 /nfs/dbraw/zinc/09/09/86/285090986.db2.gz GNNBAKWAUCWGMP-UHFFFAOYSA-N 1 2 342.764 1.649 20 5 EDBDLO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000459797769 255002532 /nfs/dbraw/zinc/00/25/32/255002532.db2.gz SOUYPQSROVRQKD-LLVKDONJSA-N 1 2 329.360 1.568 20 5 EDBDLO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCOC1 ZINC000490061824 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CC[C@@H]([NH2+]Cc1cn(CC(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000271481401 140301387 /nfs/dbraw/zinc/30/13/87/140301387.db2.gz JCKXBRHRTCPSHV-CQSZACIVSA-N 1 2 333.348 1.600 20 5 EDBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998970 141108845 /nfs/dbraw/zinc/10/88/45/141108845.db2.gz NNTXQWKQLIGCLQ-VFDKELDYSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998970 141108847 /nfs/dbraw/zinc/10/88/47/141108847.db2.gz NNTXQWKQLIGCLQ-VFDKELDYSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000332105667 141123999 /nfs/dbraw/zinc/12/39/99/141123999.db2.gz RSFIFQGKQKQZBJ-NEPJUHHUSA-N 1 2 339.417 1.982 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000332116297 141125806 /nfs/dbraw/zinc/12/58/06/141125806.db2.gz VGPXKGHEZIKDQU-UHFFFAOYSA-N 1 2 335.389 1.348 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] 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WRAWJASMOVMOKF-BZUAXINKSA-N 1 2 336.388 1.965 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000345819983 143136707 /nfs/dbraw/zinc/13/67/07/143136707.db2.gz WRAWJASMOVMOKF-BZUAXINKSA-N 1 2 336.388 1.965 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346030788 143159463 /nfs/dbraw/zinc/15/94/63/143159463.db2.gz HAWTUTMEMVVQRB-LBPRGKRZSA-N 1 2 330.300 1.384 20 5 EDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCC1 ZINC000360616012 152124071 /nfs/dbraw/zinc/12/40/71/152124071.db2.gz TWEDWEVVRUHCOH-UHFFFAOYSA-N 1 2 333.388 1.508 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000360915172 152249705 /nfs/dbraw/zinc/24/97/05/152249705.db2.gz WGEIJVIWQWDTPN-CQSZACIVSA-N 1 2 337.424 1.811 20 5 EDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000363830048 153069087 /nfs/dbraw/zinc/06/90/87/153069087.db2.gz WUPHIFGTMJQKSP-UHFFFAOYSA-N 1 2 349.391 1.189 20 5 EDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000363830048 153069090 /nfs/dbraw/zinc/06/90/90/153069090.db2.gz WUPHIFGTMJQKSP-UHFFFAOYSA-N 1 2 349.391 1.189 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000364502790 153253966 /nfs/dbraw/zinc/25/39/66/153253966.db2.gz UQXGLNMHXIHOJF-SNVBAGLBSA-N 1 2 333.323 1.566 20 5 EDBDLO NC(=O)C1([NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CCCC1 ZINC000370233564 155393391 /nfs/dbraw/zinc/39/33/91/155393391.db2.gz QHSPCWAENWMOLE-UHFFFAOYSA-N 1 2 336.367 1.654 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369474535 155048989 /nfs/dbraw/zinc/04/89/89/155048989.db2.gz ZNBZROHHMNVBCC-NSHDSACASA-N 1 2 341.314 1.466 20 5 EDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369474535 155048990 /nfs/dbraw/zinc/04/89/90/155048990.db2.gz ZNBZROHHMNVBCC-NSHDSACASA-N 1 2 341.314 1.466 20 5 EDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374392704 157273085 /nfs/dbraw/zinc/27/30/85/157273085.db2.gz ZKUBZAVCUXWNHM-MRXNPFEDSA-N 1 2 342.355 1.542 20 5 EDBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000378490662 158190704 /nfs/dbraw/zinc/19/07/04/158190704.db2.gz QYPSUMSZZBQHHO-UKRRQHHQSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000378490662 158190706 /nfs/dbraw/zinc/19/07/06/158190706.db2.gz QYPSUMSZZBQHHO-UKRRQHHQSA-N 1 2 338.360 1.626 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000352273528 162087547 /nfs/dbraw/zinc/08/75/47/162087547.db2.gz JFIFEIOXKSRWIZ-KGLIPLIRSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000352273528 162087549 /nfs/dbraw/zinc/08/75/49/162087549.db2.gz JFIFEIOXKSRWIZ-KGLIPLIRSA-N 1 2 330.344 1.231 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352492581 162210037 /nfs/dbraw/zinc/21/00/37/162210037.db2.gz ZRWBGIBSVOHJEG-OAHLLOKOSA-N 1 2 346.391 1.957 20 5 EDBDLO COc1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000352526843 162232351 /nfs/dbraw/zinc/23/23/51/162232351.db2.gz SLOFVPFXWQSDIF-ZDUSSCGKSA-N 1 2 340.401 1.755 20 5 EDBDLO COc1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000352526843 162232353 /nfs/dbraw/zinc/23/23/53/162232353.db2.gz SLOFVPFXWQSDIF-ZDUSSCGKSA-N 1 2 340.401 1.755 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000274017190 268098334 /nfs/dbraw/zinc/09/83/34/268098334.db2.gz BORPPXXFGCXTCS-AWEZNQCLSA-N 1 2 328.390 1.483 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000274017190 268098336 /nfs/dbraw/zinc/09/83/36/268098336.db2.gz BORPPXXFGCXTCS-AWEZNQCLSA-N 1 2 328.390 1.483 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCOC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000274271978 268119528 /nfs/dbraw/zinc/11/95/28/268119528.db2.gz AZKGKZHBIHIJCB-CHWSQXEVSA-N 1 2 340.376 1.454 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCOC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000274271978 268119529 /nfs/dbraw/zinc/11/95/29/268119529.db2.gz AZKGKZHBIHIJCB-CHWSQXEVSA-N 1 2 340.376 1.454 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000273985901 273064939 /nfs/dbraw/zinc/06/49/39/273064939.db2.gz JEMXXCRUKKDZQK-UWVGGRQHSA-N 1 2 348.363 1.410 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000280083652 273343838 /nfs/dbraw/zinc/34/38/38/273343838.db2.gz RLZBCNCWZCAIEZ-CYBMUJFWSA-N 1 2 339.417 1.152 20 5 EDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000283918401 274010496 /nfs/dbraw/zinc/01/04/96/274010496.db2.gz WVOFCJQCNXBBCL-LBPRGKRZSA-N 1 2 329.784 1.378 20 5 EDBDLO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284148135 274096586 /nfs/dbraw/zinc/09/65/86/274096586.db2.gz QEJZIXULLQYUMG-ZFWWWQNUSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284148135 274096589 /nfs/dbraw/zinc/09/65/89/274096589.db2.gz QEJZIXULLQYUMG-ZFWWWQNUSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284224324 274123116 /nfs/dbraw/zinc/12/31/16/274123116.db2.gz VKPBKJROBWHVNP-CABCVRRESA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284224324 274123118 /nfs/dbraw/zinc/12/31/18/274123118.db2.gz VKPBKJROBWHVNP-CABCVRRESA-N 1 2 335.360 1.149 20 5 EDBDLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000284666503 274285776 /nfs/dbraw/zinc/28/57/76/274285776.db2.gz QACHLGKYLFXPSM-TZMCWYRMSA-N 1 2 334.332 1.556 20 5 EDBDLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000284666503 274285778 /nfs/dbraw/zinc/28/57/78/274285778.db2.gz QACHLGKYLFXPSM-TZMCWYRMSA-N 1 2 334.332 1.556 20 5 EDBDLO CCOc1cc(C[N@@H+]2CC[C@](O)(c3c[nH]nn3)C2)ccc1[N+](=O)[O-] ZINC000284803092 274338142 /nfs/dbraw/zinc/33/81/42/274338142.db2.gz MQZMGIYPQIMPSE-OAHLLOKOSA-N 1 2 333.348 1.205 20 5 EDBDLO CCOc1cc(C[N@H+]2CC[C@](O)(c3c[nH]nn3)C2)ccc1[N+](=O)[O-] ZINC000284803092 274338144 /nfs/dbraw/zinc/33/81/44/274338144.db2.gz MQZMGIYPQIMPSE-OAHLLOKOSA-N 1 2 333.348 1.205 20 5 EDBDLO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]([NH+]3CCOCC3)C2)s1 ZINC000367839352 275034068 /nfs/dbraw/zinc/03/40/68/275034068.db2.gz AKFFZAOZIMPWEZ-SNVBAGLBSA-N 1 2 335.389 1.510 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000286834855 288100283 /nfs/dbraw/zinc/10/02/83/288100283.db2.gz ZNFGPSYUEXQQCC-NSHDSACASA-N 1 2 346.366 1.817 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000286834855 288100284 /nfs/dbraw/zinc/10/02/84/288100284.db2.gz ZNFGPSYUEXQQCC-NSHDSACASA-N 1 2 346.366 1.817 20 5 EDBDLO Cn1c[nH+]c2c1CCN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)C2 ZINC000368683343 279386661 /nfs/dbraw/zinc/38/66/61/279386661.db2.gz DXQFFOFJRIQPMR-UHFFFAOYSA-N 1 2 327.344 1.776 20 5 EDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289491967 288713005 /nfs/dbraw/zinc/71/30/05/288713005.db2.gz JCVJATNDBCLRMO-UHFFFAOYSA-N 1 2 342.764 1.649 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000290293975 288874010 /nfs/dbraw/zinc/87/40/10/288874010.db2.gz HQKXUTXFKYXTKE-UHFFFAOYSA-N 1 2 329.316 1.081 20 5 EDBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1=O ZINC000291406414 289054602 /nfs/dbraw/zinc/05/46/02/289054602.db2.gz IMDROVIUMNEELI-OAHLLOKOSA-N 1 2 330.300 1.216 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291854931 289197844 /nfs/dbraw/zinc/19/78/44/289197844.db2.gz PDVIRZMGUNMFRE-NSHDSACASA-N 1 2 329.303 1.143 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291854931 289197847 /nfs/dbraw/zinc/19/78/47/289197847.db2.gz PDVIRZMGUNMFRE-NSHDSACASA-N 1 2 329.303 1.143 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000152062102 290095828 /nfs/dbraw/zinc/09/58/28/290095828.db2.gz SZCDINJYCBONAN-NWDGAFQWSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000152062102 290095831 /nfs/dbraw/zinc/09/58/31/290095831.db2.gz SZCDINJYCBONAN-NWDGAFQWSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000332262095 290096205 /nfs/dbraw/zinc/09/62/05/290096205.db2.gz SZCDINJYCBONAN-VXGBXAGGSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000332262095 290096209 /nfs/dbraw/zinc/09/62/09/290096209.db2.gz SZCDINJYCBONAN-VXGBXAGGSA-N 1 2 325.752 1.403 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000330639716 295028387 /nfs/dbraw/zinc/02/83/87/295028387.db2.gz PLJRQQPAUFEQTL-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330639716 295028391 /nfs/dbraw/zinc/02/83/91/295028391.db2.gz PLJRQQPAUFEQTL-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330640231 295191783 /nfs/dbraw/zinc/19/17/83/295191783.db2.gz PZTCUJJCHFMLJH-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330640231 295191784 /nfs/dbraw/zinc/19/17/84/295191784.db2.gz PZTCUJJCHFMLJH-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000408084311 302044001 /nfs/dbraw/zinc/04/40/01/302044001.db2.gz OJVRYJPMCKGQLQ-NEPJUHHUSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408084311 302044003 /nfs/dbraw/zinc/04/40/03/302044003.db2.gz OJVRYJPMCKGQLQ-NEPJUHHUSA-N 1 2 327.406 1.616 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293819451 303023693 /nfs/dbraw/zinc/02/36/93/303023693.db2.gz OVVJZFWFEOQQBL-BETUJISGSA-N 1 2 341.433 1.492 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293819451 303023695 /nfs/dbraw/zinc/02/36/95/303023695.db2.gz OVVJZFWFEOQQBL-BETUJISGSA-N 1 2 341.433 1.492 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1C ZINC000299359941 303611630 /nfs/dbraw/zinc/61/16/30/303611630.db2.gz UVUPNROKLUDFRF-UHFFFAOYSA-N 1 2 339.417 1.680 20 5 EDBDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000301646028 303687325 /nfs/dbraw/zinc/68/73/25/303687325.db2.gz NTIVSFUMYXRPJM-GFCCVEGCSA-N 1 2 333.392 1.087 20 5 EDBDLO COC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448684930 447341488 /nfs/dbraw/zinc/34/14/88/447341488.db2.gz REQSZLDLTNBXFH-UHFFFAOYSA-N 1 2 332.316 1.462 20 5 EDBDLO COC(=O)C(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448896085 305303160 /nfs/dbraw/zinc/30/31/60/305303160.db2.gz MSBFMAPZJPESFE-UHFFFAOYSA-N 1 2 346.343 1.804 20 5 EDBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000451319148 305338504 /nfs/dbraw/zinc/33/85/04/305338504.db2.gz MWAWQHLYIDVXLY-CQSZACIVSA-N 1 2 330.344 1.623 20 5 EDBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCNC1=O ZINC000451452064 305347382 /nfs/dbraw/zinc/34/73/82/305347382.db2.gz GILOHLLUNKSXDF-CYBMUJFWSA-N 1 2 343.343 1.131 20 5 EDBDLO O=C(NC[C@H](O)C1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456879067 305474988 /nfs/dbraw/zinc/47/49/88/305474988.db2.gz KHDCCEKIFPSWJW-HNNXBMFYSA-N 1 2 330.344 1.671 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000519533403 305769539 /nfs/dbraw/zinc/76/95/39/305769539.db2.gz XFZFSFVAQKWXIZ-PMPSAXMXSA-N 1 2 346.387 1.547 20 5 EDBDLO COc1ccc(NC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000415435455 447436906 /nfs/dbraw/zinc/43/69/06/447436906.db2.gz IPNFAJXVNPFCPS-VIFPVBQESA-N 1 2 344.318 1.970 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000060436671 441244279 /nfs/dbraw/zinc/24/42/79/441244279.db2.gz JGNHCTURRRSJPR-UHFFFAOYSA-N 1 2 327.406 1.538 20 5 EDBDLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022420146 441280289 /nfs/dbraw/zinc/28/02/89/441280289.db2.gz WNVVUFFNAXKYOB-INIZCTEOSA-N 1 2 341.371 1.338 20 5 EDBDLO O=C(NC[C@H](O)C(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081855041 441321721 /nfs/dbraw/zinc/32/17/21/441321721.db2.gz HCJSAMAPOXOZMW-NSHDSACASA-N 1 2 344.249 1.434 20 5 EDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931976 441361380 /nfs/dbraw/zinc/36/13/80/441361380.db2.gz YCKMEDFOQBTGNZ-ZDUSSCGKSA-N 1 2 345.359 1.697 20 5 EDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931976 441361383 /nfs/dbraw/zinc/36/13/83/441361383.db2.gz YCKMEDFOQBTGNZ-ZDUSSCGKSA-N 1 2 345.359 1.697 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446315 441363001 /nfs/dbraw/zinc/36/30/01/441363001.db2.gz FFEFBGTWELWKNE-LLVKDONJSA-N 1 2 344.375 1.920 20 5 EDBDLO Cc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000041869930 441681256 /nfs/dbraw/zinc/68/12/56/441681256.db2.gz HRUQIBVLUFPWQL-OAHLLOKOSA-N 1 2 335.404 1.990 20 5 EDBDLO CCc1nn(C)c(N2CC[NH+](Cc3cc(C)no3)CC2)c1[N+](=O)[O-] ZINC000092827572 441831321 /nfs/dbraw/zinc/83/13/21/441831321.db2.gz IAOZMSCLKDXMFX-UHFFFAOYSA-N 1 2 334.380 1.509 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000078979991 442002845 /nfs/dbraw/zinc/00/28/45/442002845.db2.gz RAFXNMGVOFKQHF-UHFFFAOYSA-N 1 2 340.361 1.158 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000175229314 442022968 /nfs/dbraw/zinc/02/29/68/442022968.db2.gz TWHFRQHHEYAGIO-UHFFFAOYSA-N 1 2 349.306 1.972 20 5 EDBDLO Nc1ccnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000120518459 442087403 /nfs/dbraw/zinc/08/74/03/442087403.db2.gz CZWHOHZYQGAUIY-UHFFFAOYSA-N 1 2 339.315 1.083 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151766619 442117654 /nfs/dbraw/zinc/11/76/54/442117654.db2.gz ORFGHQSCMVCHAL-UHFFFAOYSA-N 1 2 325.340 1.067 20 5 EDBDLO Cc1cc(C(=O)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c(C)o1 ZINC000176217605 442194076 /nfs/dbraw/zinc/19/40/76/442194076.db2.gz NAIBLYSGFDMUSD-UHFFFAOYSA-N 1 2 347.375 1.459 20 5 EDBDLO CN1CC[NH+]([C@H]2CCCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000192505348 442655068 /nfs/dbraw/zinc/65/50/68/442655068.db2.gz DOGFYDLNGAKQQX-LBPRGKRZSA-N 1 2 325.438 1.658 20 5 EDBDLO CSc1cccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000187274221 442666243 /nfs/dbraw/zinc/66/62/43/442666243.db2.gz SOLDGWRKKQUEFE-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO CSc1cccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000187274221 442666245 /nfs/dbraw/zinc/66/62/45/442666245.db2.gz SOLDGWRKKQUEFE-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193631283 442761457 /nfs/dbraw/zinc/76/14/57/442761457.db2.gz RHQPAVURDHGCTD-TVQRCGJNSA-N 1 2 331.332 1.259 20 5 EDBDLO CC(C)CN(CC(N)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195469142 443022554 /nfs/dbraw/zinc/02/25/54/443022554.db2.gz CTGMGZJMUSSNMC-UHFFFAOYSA-N 1 2 345.359 1.364 20 5 EDBDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190544450 443133676 /nfs/dbraw/zinc/13/36/76/443133676.db2.gz PYNIYZZQPFMGSR-UONOGXRCSA-N 1 2 330.344 1.670 20 5 EDBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000319363592 318937933 /nfs/dbraw/zinc/93/79/33/318937933.db2.gz SWGPDKSXVOHINX-SNVBAGLBSA-N 1 2 331.369 1.497 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000185971132 443292489 /nfs/dbraw/zinc/29/24/89/443292489.db2.gz XDYHKVAVDJUYNL-MRXNPFEDSA-N 1 2 334.376 1.288 20 5 EDBDLO CN(C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000185971132 443292493 /nfs/dbraw/zinc/29/24/93/443292493.db2.gz XDYHKVAVDJUYNL-MRXNPFEDSA-N 1 2 334.376 1.288 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000269638228 443374541 /nfs/dbraw/zinc/37/45/41/443374541.db2.gz BCWAMLJBNDGKQD-ZDUSSCGKSA-N 1 2 333.310 1.808 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264695845 443378581 /nfs/dbraw/zinc/37/85/81/443378581.db2.gz CBNYFGWNSXJJRH-LBPRGKRZSA-N 1 2 331.376 1.052 20 5 EDBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264695845 443378584 /nfs/dbraw/zinc/37/85/84/443378584.db2.gz CBNYFGWNSXJJRH-LBPRGKRZSA-N 1 2 331.376 1.052 20 5 EDBDLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000278740544 443420690 /nfs/dbraw/zinc/42/06/90/443420690.db2.gz SWASVUKDUHNRPJ-OCCSQVGLSA-N 1 2 340.376 1.070 20 5 EDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)c1 ZINC000272804244 443451709 /nfs/dbraw/zinc/45/17/09/443451709.db2.gz FKDBQRRWQOGLRA-UHFFFAOYSA-N 1 2 339.359 1.355 20 5 EDBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000279939166 443645749 /nfs/dbraw/zinc/64/57/49/443645749.db2.gz XEXYBNGWXBONFO-GFCCVEGCSA-N 1 2 327.768 1.889 20 5 EDBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000279939166 443645751 /nfs/dbraw/zinc/64/57/51/443645751.db2.gz XEXYBNGWXBONFO-GFCCVEGCSA-N 1 2 327.768 1.889 20 5 EDBDLO COc1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000298548250 443797080 /nfs/dbraw/zinc/79/70/80/443797080.db2.gz FINHPOKWODMYNU-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO COc1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000298548250 443797084 /nfs/dbraw/zinc/79/70/84/443797084.db2.gz FINHPOKWODMYNU-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H](OC)C1 ZINC000567617672 321248807 /nfs/dbraw/zinc/24/88/07/321248807.db2.gz QQWUAGGKIQVNML-KWCYVHTRSA-N 1 2 340.380 1.128 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289623478 444182818 /nfs/dbraw/zinc/18/28/18/444182818.db2.gz JYWSNLBMSDKQAS-SECBINFHSA-N 1 2 328.756 1.700 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289623478 444182820 /nfs/dbraw/zinc/18/28/20/444182820.db2.gz JYWSNLBMSDKQAS-SECBINFHSA-N 1 2 328.756 1.700 20 5 EDBDLO C[C@@H](CCCO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295564328 444189254 /nfs/dbraw/zinc/18/92/54/444189254.db2.gz YYJUKHPFWWZHNB-LBPRGKRZSA-N 1 2 332.360 1.919 20 5 EDBDLO Cc1ccc([C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000305325240 444268823 /nfs/dbraw/zinc/26/88/23/444268823.db2.gz MAZZUMFJJCMFAV-ZFWWWQNUSA-N 1 2 336.348 1.127 20 5 EDBDLO Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000305325240 444268826 /nfs/dbraw/zinc/26/88/26/444268826.db2.gz MAZZUMFJJCMFAV-ZFWWWQNUSA-N 1 2 336.348 1.127 20 5 EDBDLO Nc1[nH+]cnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1Cl ZINC000302782055 444224265 /nfs/dbraw/zinc/22/42/65/444224265.db2.gz JZFLCSDZOSKMEM-UHFFFAOYSA-N 1 2 334.767 1.947 20 5 EDBDLO Nc1nc[nH+]c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1Cl ZINC000302782055 444224267 /nfs/dbraw/zinc/22/42/67/444224267.db2.gz JZFLCSDZOSKMEM-UHFFFAOYSA-N 1 2 334.767 1.947 20 5 EDBDLO CCc1n[nH]c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000580961732 322118513 /nfs/dbraw/zinc/11/85/13/322118513.db2.gz BQXGXMWSBKXEBV-UHFFFAOYSA-N 1 2 345.350 1.587 20 5 EDBDLO Cc1nc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1[N+](=O)[O-] ZINC000340786964 444510163 /nfs/dbraw/zinc/51/01/63/444510163.db2.gz WLJNSMJTLJMJEC-LBPRGKRZSA-N 1 2 344.375 1.635 20 5 EDBDLO Cc1ccc(NCCCNC(=O)c2cccc(O)c2[N+](=O)[O-])[nH+]c1 ZINC000343743916 444559574 /nfs/dbraw/zinc/55/95/74/444559574.db2.gz WKJITSJPFXGUOY-UHFFFAOYSA-N 1 2 330.344 2.236 20 5 EDBDLO CNc1c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000342281478 444610646 /nfs/dbraw/zinc/61/06/46/444610646.db2.gz ITRPZPARRFGVPR-OLZOCXBDSA-N 1 2 348.403 1.572 20 5 EDBDLO CC(=O)[C@@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338347450 444647137 /nfs/dbraw/zinc/64/71/37/444647137.db2.gz GTKCZJUYPBLQHN-KRWDZBQOSA-N 1 2 335.404 1.799 20 5 EDBDLO CC(=O)[C@@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338347450 444647141 /nfs/dbraw/zinc/64/71/41/444647141.db2.gz GTKCZJUYPBLQHN-KRWDZBQOSA-N 1 2 335.404 1.799 20 5 EDBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341307676 444771389 /nfs/dbraw/zinc/77/13/89/444771389.db2.gz SKGVRBPQBQVNTD-GFCCVEGCSA-N 1 2 336.392 1.228 20 5 EDBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341307676 444771393 /nfs/dbraw/zinc/77/13/93/444771393.db2.gz SKGVRBPQBQVNTD-GFCCVEGCSA-N 1 2 336.392 1.228 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000339070077 445018484 /nfs/dbraw/zinc/01/84/84/445018484.db2.gz GYWBFDPBJQLNRG-TXEJJXNPSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000339070077 445018487 /nfs/dbraw/zinc/01/84/87/445018487.db2.gz GYWBFDPBJQLNRG-TXEJJXNPSA-N 1 2 327.406 1.616 20 5 EDBDLO CO[C@H]1C[C@@H](c2nncn2C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000344504612 445019872 /nfs/dbraw/zinc/01/98/72/445019872.db2.gz GREFFYWLAKOWOX-GJZGRUSLSA-N 1 2 347.375 1.564 20 5 EDBDLO CO[C@H]1C[C@@H](c2nncn2C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000344504612 445019873 /nfs/dbraw/zinc/01/98/73/445019873.db2.gz GREFFYWLAKOWOX-GJZGRUSLSA-N 1 2 347.375 1.564 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000330633125 445070986 /nfs/dbraw/zinc/07/09/86/445070986.db2.gz JKUPDCXWZFBYFO-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000330633125 445070990 /nfs/dbraw/zinc/07/09/90/445070990.db2.gz JKUPDCXWZFBYFO-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH2+]1 ZINC000337563673 445138732 /nfs/dbraw/zinc/13/87/32/445138732.db2.gz AGOYMBYWVLVUCP-ZDUSSCGKSA-N 1 2 330.344 1.718 20 5 EDBDLO C[C@@H]1[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343434450 445222177 /nfs/dbraw/zinc/22/21/77/445222177.db2.gz AQYYMFMUAJFRSM-PWSUYJOCSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@@H]1[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343434450 445222178 /nfs/dbraw/zinc/22/21/78/445222178.db2.gz AQYYMFMUAJFRSM-PWSUYJOCSA-N 1 2 327.406 1.893 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000351733605 445297640 /nfs/dbraw/zinc/29/76/40/445297640.db2.gz JYFPCKIUSCHBCK-ZIAGYGMSSA-N 1 2 337.401 1.472 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000351733605 445297642 /nfs/dbraw/zinc/29/76/42/445297642.db2.gz JYFPCKIUSCHBCK-ZIAGYGMSSA-N 1 2 337.401 1.472 20 5 EDBDLO CC[C@H]1C[N@H+](CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000362682910 445498508 /nfs/dbraw/zinc/49/85/08/445498508.db2.gz IBPWNGKRFVHLQA-LBPRGKRZSA-N 1 2 338.364 1.299 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CCO1 ZINC000362682910 445498511 /nfs/dbraw/zinc/49/85/11/445498511.db2.gz IBPWNGKRFVHLQA-LBPRGKRZSA-N 1 2 338.364 1.299 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353510935 445635897 /nfs/dbraw/zinc/63/58/97/445635897.db2.gz AQJBZDMFWORJSM-NWDGAFQWSA-N 1 2 326.303 1.633 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000349837990 445694001 /nfs/dbraw/zinc/69/40/01/445694001.db2.gz WEQRFEVYQWBDAR-UHFFFAOYSA-N 1 2 347.400 1.592 20 5 EDBDLO CCc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491525 445828250 /nfs/dbraw/zinc/82/82/50/445828250.db2.gz XBXRYNJBNSCDML-STQMWFEESA-N 1 2 338.433 1.405 20 5 EDBDLO CCc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491525 445828254 /nfs/dbraw/zinc/82/82/54/445828254.db2.gz XBXRYNJBNSCDML-STQMWFEESA-N 1 2 338.433 1.405 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354052220 445876956 /nfs/dbraw/zinc/87/69/56/445876956.db2.gz DKESZPDHGXWXQI-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354052220 445876962 /nfs/dbraw/zinc/87/69/62/445876962.db2.gz DKESZPDHGXWXQI-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000350830820 445920485 /nfs/dbraw/zinc/92/04/85/445920485.db2.gz MAJYAKYVYNUTHC-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000350830820 445920492 /nfs/dbraw/zinc/92/04/92/445920492.db2.gz MAJYAKYVYNUTHC-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1C ZINC000350829996 445920838 /nfs/dbraw/zinc/92/08/38/445920838.db2.gz KSYLYNZRFKDVSL-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000350829996 445920845 /nfs/dbraw/zinc/92/08/45/445920845.db2.gz KSYLYNZRFKDVSL-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373237002 446112172 /nfs/dbraw/zinc/11/21/72/446112172.db2.gz NCSUDWBKAJAREJ-HNNXBMFYSA-N 1 2 348.403 1.934 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373237002 446112177 /nfs/dbraw/zinc/11/21/77/446112177.db2.gz NCSUDWBKAJAREJ-HNNXBMFYSA-N 1 2 348.403 1.934 20 5 EDBDLO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000365358824 446166599 /nfs/dbraw/zinc/16/65/99/446166599.db2.gz QOLHMMRYMXPMRV-KFWWJZLASA-N 1 2 335.429 1.385 20 5 EDBDLO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000365358824 446166600 /nfs/dbraw/zinc/16/66/00/446166600.db2.gz QOLHMMRYMXPMRV-KFWWJZLASA-N 1 2 335.429 1.385 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000359637002 446330990 /nfs/dbraw/zinc/33/09/90/446330990.db2.gz JQOGSQJCDOKYJQ-TZMCWYRMSA-N 1 2 334.355 1.748 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@H](F)C[C@@H]2CNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000359637002 446330993 /nfs/dbraw/zinc/33/09/93/446330993.db2.gz JQOGSQJCDOKYJQ-TZMCWYRMSA-N 1 2 334.355 1.748 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000366996061 446451894 /nfs/dbraw/zinc/45/18/94/446451894.db2.gz MVVZPDWAKZBSLS-CYBMUJFWSA-N 1 2 349.387 1.540 20 5 EDBDLO C[N@@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C(=O)C1 ZINC000374856715 446420175 /nfs/dbraw/zinc/42/01/75/446420175.db2.gz QRVSBVQXOKUHEC-UHFFFAOYSA-N 1 2 336.367 1.477 20 5 EDBDLO C[N@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C(=O)C1 ZINC000374856715 446420178 /nfs/dbraw/zinc/42/01/78/446420178.db2.gz QRVSBVQXOKUHEC-UHFFFAOYSA-N 1 2 336.367 1.477 20 5 EDBDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000433180453 446546239 /nfs/dbraw/zinc/54/62/39/446546239.db2.gz JKSGSMVIGKFOIW-HNNXBMFYSA-N 1 2 339.392 1.275 20 5 EDBDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000433180453 446546244 /nfs/dbraw/zinc/54/62/44/446546244.db2.gz JKSGSMVIGKFOIW-HNNXBMFYSA-N 1 2 339.392 1.275 20 5 EDBDLO CCN1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000420607283 446700491 /nfs/dbraw/zinc/70/04/91/446700491.db2.gz BHKDEWSHXZIRPG-CYBMUJFWSA-N 1 2 344.375 1.300 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371354432 446800020 /nfs/dbraw/zinc/80/00/20/446800020.db2.gz MHLAWJCPGOYQSW-SECBINFHSA-N 1 2 334.307 1.510 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371354432 446800027 /nfs/dbraw/zinc/80/00/27/446800027.db2.gz MHLAWJCPGOYQSW-SECBINFHSA-N 1 2 334.307 1.510 20 5 EDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccncc1[N+](=O)[O-] ZINC000376874552 446769410 /nfs/dbraw/zinc/76/94/10/446769410.db2.gz GWYQIBGETUEXFA-UHFFFAOYSA-N 1 2 330.348 1.309 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412040204 446803569 /nfs/dbraw/zinc/80/35/69/446803569.db2.gz LRCYZJJXPBTQEI-ZYHUDNBSSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412040204 446803576 /nfs/dbraw/zinc/80/35/76/446803576.db2.gz LRCYZJJXPBTQEI-ZYHUDNBSSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412040204 446803583 /nfs/dbraw/zinc/80/35/83/446803583.db2.gz LRCYZJJXPBTQEI-ZYHUDNBSSA-N 1 2 344.375 1.838 20 5 EDBDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412040204 446803590 /nfs/dbraw/zinc/80/35/90/446803590.db2.gz LRCYZJJXPBTQEI-ZYHUDNBSSA-N 1 2 344.375 1.838 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412295177 446925807 /nfs/dbraw/zinc/92/58/07/446925807.db2.gz ABZWFIICVLPOGY-XOKHGSTOSA-N 1 2 347.415 1.877 20 5 EDBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377493657 447163652 /nfs/dbraw/zinc/16/36/52/447163652.db2.gz 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O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000450570617 447529471 /nfs/dbraw/zinc/52/94/71/447529471.db2.gz ZZQDXTDQSVYOHQ-HEHGZKQESA-N 1 2 342.355 1.623 20 5 EDBDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)[nH]n1 ZINC000459597128 447717395 /nfs/dbraw/zinc/71/73/95/447717395.db2.gz VDFFQEGZRXTHTB-CYBMUJFWSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)[nH]n1 ZINC000459597128 447717400 /nfs/dbraw/zinc/71/74/00/447717400.db2.gz VDFFQEGZRXTHTB-CYBMUJFWSA-N 1 2 343.387 1.973 20 5 EDBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531637507 448121753 /nfs/dbraw/zinc/12/17/53/448121753.db2.gz KLVZGWJYOWWWOK-UHFFFAOYSA-N 1 2 338.345 1.227 20 5 EDBDLO C[C@@H]1C[NH+](CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@@H](C)O1 ZINC000571702699 448193358 /nfs/dbraw/zinc/19/33/58/448193358.db2.gz QSIDTNPHBLEFHL-VXGBXAGGSA-N 1 2 348.359 1.521 20 5 EDBDLO COc1cc(C(=O)NCc2c[nH+]c(C)nc2N)c([N+](=O)[O-])cc1OC 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KZOXRNDGPYFKFS-PWSUYJOCSA-N 1 2 328.752 1.604 20 5 EDBDLO Nc1nccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000547728578 448919357 /nfs/dbraw/zinc/91/93/57/448919357.db2.gz OSXBAETTXNSWOS-UHFFFAOYSA-N 1 2 342.359 1.497 20 5 EDBDLO CO[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595661742 449103953 /nfs/dbraw/zinc/10/39/53/449103953.db2.gz LEOKXZGVVCZJCY-WBMJQRKESA-N 1 2 337.376 1.395 20 5 EDBDLO CO[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595661742 449103956 /nfs/dbraw/zinc/10/39/56/449103956.db2.gz LEOKXZGVVCZJCY-WBMJQRKESA-N 1 2 337.376 1.395 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000611083539 449162246 /nfs/dbraw/zinc/16/22/46/449162246.db2.gz DXIYBXLSIACOTA-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000611083539 449162249 /nfs/dbraw/zinc/16/22/49/449162249.db2.gz DXIYBXLSIACOTA-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597999393 449184991 /nfs/dbraw/zinc/18/49/91/449184991.db2.gz WFQKJOOPAFUTPK-UWWPHRKUSA-N 1 2 347.415 1.924 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000597999393 449184995 /nfs/dbraw/zinc/18/49/95/449184995.db2.gz WFQKJOOPAFUTPK-UWWPHRKUSA-N 1 2 347.415 1.924 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000600298770 449307466 /nfs/dbraw/zinc/30/74/66/449307466.db2.gz MHYYLLLISNWYAR-GFCCVEGCSA-N 1 2 345.359 1.331 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000600298770 449307471 /nfs/dbraw/zinc/30/74/71/449307471.db2.gz MHYYLLLISNWYAR-GFCCVEGCSA-N 1 2 345.359 1.331 20 5 EDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590760523 449279102 /nfs/dbraw/zinc/27/91/02/449279102.db2.gz SZSSOWVURSKCIT-UHFFFAOYSA-N 1 2 328.325 1.429 20 5 EDBDLO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108428 449357620 /nfs/dbraw/zinc/35/76/20/449357620.db2.gz VCXWVXQRCBNFRB-MXWKQRLJSA-N 1 2 327.406 1.884 20 5 EDBDLO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108428 449357626 /nfs/dbraw/zinc/35/76/26/449357626.db2.gz VCXWVXQRCBNFRB-MXWKQRLJSA-N 1 2 327.406 1.884 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600421897 449367231 /nfs/dbraw/zinc/36/72/31/449367231.db2.gz PZOPOGYXAWKHIG-GFCCVEGCSA-N 1 2 347.293 1.674 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600421897 449367234 /nfs/dbraw/zinc/36/72/34/449367234.db2.gz PZOPOGYXAWKHIG-GFCCVEGCSA-N 1 2 347.293 1.674 20 5 EDBDLO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000596207752 449415202 /nfs/dbraw/zinc/41/52/02/449415202.db2.gz GCHRYVZLCIIGJD-SNVBAGLBSA-N 1 2 344.209 1.860 20 5 EDBDLO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000596207752 449415208 /nfs/dbraw/zinc/41/52/08/449415208.db2.gz GCHRYVZLCIIGJD-SNVBAGLBSA-N 1 2 344.209 1.860 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596210101 449417178 /nfs/dbraw/zinc/41/71/78/449417178.db2.gz FWTQZSHWRGTXMU-QWHCGFSZSA-N 1 2 336.392 1.503 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000596210101 449417186 /nfs/dbraw/zinc/41/71/86/449417186.db2.gz FWTQZSHWRGTXMU-QWHCGFSZSA-N 1 2 336.392 1.503 20 5 EDBDLO COc1cc(NC[C@@H]2C[NH+]3CCN2CC3)c(Cl)cc1[N+](=O)[O-] ZINC000596170548 449394833 /nfs/dbraw/zinc/39/48/33/449394833.db2.gz UNAZBPGDPUZSEL-SNVBAGLBSA-N 1 2 326.784 1.669 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606281 449489449 /nfs/dbraw/zinc/48/94/49/449489449.db2.gz GVEHVJPAHNEGFY-NWDGAFQWSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606281 449489452 /nfs/dbraw/zinc/48/94/52/449489452.db2.gz GVEHVJPAHNEGFY-NWDGAFQWSA-N 1 2 341.433 1.925 20 5 EDBDLO NC(=O)[C@H]1CCCN(c2ccc(-c3ccc([N+](=O)[O-])nc3)c[nH+]2)C1 ZINC000600788333 449547129 /nfs/dbraw/zinc/54/71/29/449547129.db2.gz HNYMKHPOSKGFHK-ZDUSSCGKSA-N 1 2 327.344 1.754 20 5 EDBDLO O=C1NCC[NH2+][C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600793801 449549610 /nfs/dbraw/zinc/54/96/10/449549610.db2.gz PGQPZSZTXGLKRG-KRWDZBQOSA-N 1 2 341.367 1.557 20 5 EDBDLO C[C@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000598633389 449509516 /nfs/dbraw/zinc/50/95/16/449509516.db2.gz LMIBTUXFRUMARV-QWRGUYRKSA-N 1 2 345.363 1.536 20 5 EDBDLO O=[N+]([O-])c1sc(C[N@@H+](CCO)CCCO)cc1Br ZINC000602466175 449612287 /nfs/dbraw/zinc/61/22/87/449612287.db2.gz ALYSCAUCNLTQCB-UHFFFAOYSA-N 1 2 339.211 1.596 20 5 EDBDLO O=[N+]([O-])c1sc(C[N@H+](CCO)CCCO)cc1Br ZINC000602466175 449612290 /nfs/dbraw/zinc/61/22/90/449612290.db2.gz ALYSCAUCNLTQCB-UHFFFAOYSA-N 1 2 339.211 1.596 20 5 EDBDLO CC(C)(C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598948705 449666169 /nfs/dbraw/zinc/66/61/69/449666169.db2.gz SWOZCTOWAYKAEI-SNVBAGLBSA-N 1 2 332.335 1.949 20 5 EDBDLO CS(=O)(=O)N1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599095542 449728536 /nfs/dbraw/zinc/72/85/36/449728536.db2.gz GQNGPVCUHIEMHE-LLVKDONJSA-N 1 2 336.373 1.589 20 5 EDBDLO Cc1cc(NC2CC(CO)(CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599178433 449782025 /nfs/dbraw/zinc/78/20/25/449782025.db2.gz FHZLHPCQYYNKRJ-UHFFFAOYSA-N 1 2 344.371 1.327 20 5 EDBDLO C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000601186850 449740881 /nfs/dbraw/zinc/74/08/81/449740881.db2.gz DBAJJYZOVKDSAP-UHFFFAOYSA-N 1 2 327.406 1.529 20 5 EDBDLO C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000601186850 449740886 /nfs/dbraw/zinc/74/08/86/449740886.db2.gz DBAJJYZOVKDSAP-UHFFFAOYSA-N 1 2 327.406 1.529 20 5 EDBDLO CCCn1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596979702 449747486 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341.339 1.145 20 5 EDBDLO COc1cc(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000601736817 450202080 /nfs/dbraw/zinc/20/20/80/450202080.db2.gz RRFGGKKVUJECQV-SNVBAGLBSA-N 1 2 341.339 1.145 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000597709408 450212941 /nfs/dbraw/zinc/21/29/41/450212941.db2.gz JLJZYMNGKAGGRV-CYBMUJFWSA-N 1 2 349.387 1.540 20 5 EDBDLO Cc1nn(C)c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000610434870 450217844 /nfs/dbraw/zinc/21/78/44/450217844.db2.gz OMPREDKTKNHGCG-UHFFFAOYSA-N 1 2 342.359 1.565 20 5 EDBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])cc3C(N)=O)[nH+]c12 ZINC000610468867 450230861 /nfs/dbraw/zinc/23/08/61/450230861.db2.gz PEIDZERVXUWMSF-UHFFFAOYSA-N 1 2 340.343 1.699 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000601733271 450197510 /nfs/dbraw/zinc/19/75/10/450197510.db2.gz AKLLUWXWTAXTEH-HNNXBMFYSA-N 1 2 335.404 1.661 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000601733271 450197518 /nfs/dbraw/zinc/19/75/18/450197518.db2.gz AKLLUWXWTAXTEH-HNNXBMFYSA-N 1 2 335.404 1.661 20 5 EDBDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000610605592 450272267 /nfs/dbraw/zinc/27/22/67/450272267.db2.gz IHMXAEIFXMMNGK-CYBMUJFWSA-N 1 2 336.323 1.202 20 5 EDBDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000610605592 450272271 /nfs/dbraw/zinc/27/22/71/450272271.db2.gz IHMXAEIFXMMNGK-CYBMUJFWSA-N 1 2 336.323 1.202 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000603375971 450269915 /nfs/dbraw/zinc/26/99/15/450269915.db2.gz RWWSNXCBHDKHTL-UHFFFAOYSA-N 1 2 347.824 1.963 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000603375971 450269918 /nfs/dbraw/zinc/26/99/18/450269918.db2.gz RWWSNXCBHDKHTL-UHFFFAOYSA-N 1 2 347.824 1.963 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603376729 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YPXAXAUGKXPXRN-UHFFFAOYSA-N 1 2 333.344 1.963 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCOCC2(CCC2)C1 ZINC000758990044 579995972 /nfs/dbraw/zinc/99/59/72/579995972.db2.gz YPXAXAUGKXPXRN-UHFFFAOYSA-N 1 2 333.344 1.963 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000763079474 580092246 /nfs/dbraw/zinc/09/22/46/580092246.db2.gz NWNJKXPBVVQKOS-UHFFFAOYSA-N 1 2 342.359 1.881 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000763079474 580092247 /nfs/dbraw/zinc/09/22/47/580092247.db2.gz NWNJKXPBVVQKOS-UHFFFAOYSA-N 1 2 342.359 1.881 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549341 580215938 /nfs/dbraw/zinc/21/59/38/580215938.db2.gz XISULNBINUDQQE-NSHDSACASA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549341 580215939 /nfs/dbraw/zinc/21/59/39/580215939.db2.gz XISULNBINUDQQE-NSHDSACASA-N 1 2 347.824 1.762 20 5 EDBDLO 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EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263782829 139360052 /nfs/dbraw/zinc/36/00/52/139360052.db2.gz MEKNPWITRKPJIO-UHFFFAOYSA-N 1 2 332.364 1.339 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1=O ZINC000495199298 255272706 /nfs/dbraw/zinc/27/27/06/255272706.db2.gz FTROPGWYAQZLTM-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1=O ZINC000495199298 255272707 /nfs/dbraw/zinc/27/27/07/255272707.db2.gz FTROPGWYAQZLTM-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000271004289 140218576 /nfs/dbraw/zinc/21/85/76/140218576.db2.gz ZCHAEVULVDBCBW-WFASDCNBSA-N 1 2 346.387 1.619 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000271004289 140218577 /nfs/dbraw/zinc/21/85/77/140218577.db2.gz ZCHAEVULVDBCBW-WFASDCNBSA-N 1 2 346.387 1.619 20 5 EDBDLO COc1c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000331057477 140977268 /nfs/dbraw/zinc/97/72/68/140977268.db2.gz LVBMLZDUPIYQKV-DOMZBBRYSA-N 1 2 349.387 1.396 20 5 EDBDLO Cn1cc([C@H](CO)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000339797899 142160472 /nfs/dbraw/zinc/16/04/72/142160472.db2.gz IHMPIYGFCCVLDO-AWEZNQCLSA-N 1 2 334.332 1.018 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416456240 304321392 /nfs/dbraw/zinc/32/13/92/304321392.db2.gz VZQUSDJDDNVASA-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416456240 304321394 /nfs/dbraw/zinc/32/13/94/304321394.db2.gz VZQUSDJDDNVASA-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344106346 142929211 /nfs/dbraw/zinc/92/92/11/142929211.db2.gz KJHUGFUNMVIUBU-DGCLKSJQSA-N 1 2 330.344 1.623 20 5 EDBDLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344702587 143000501 /nfs/dbraw/zinc/00/05/01/143000501.db2.gz FQUVHICUWFUBOW-STQMWFEESA-N 1 2 334.332 1.226 20 5 EDBDLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344702587 143000502 /nfs/dbraw/zinc/00/05/02/143000502.db2.gz FQUVHICUWFUBOW-STQMWFEESA-N 1 2 334.332 1.226 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000344859975 143020641 /nfs/dbraw/zinc/02/06/41/143020641.db2.gz CCGJQJRKYJUZPN-NEPJUHHUSA-N 1 2 342.323 1.051 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000344859975 143020642 /nfs/dbraw/zinc/02/06/42/143020642.db2.gz CCGJQJRKYJUZPN-NEPJUHHUSA-N 1 2 342.323 1.051 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000347659965 143346462 /nfs/dbraw/zinc/34/64/62/143346462.db2.gz RSZXHSDFGOCVKH-LBPRGKRZSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000347659965 143346463 /nfs/dbraw/zinc/34/64/63/143346463.db2.gz RSZXHSDFGOCVKH-LBPRGKRZSA-N 1 2 325.340 1.575 20 5 EDBDLO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000353179259 149314323 /nfs/dbraw/zinc/31/43/23/149314323.db2.gz DPSIQWVTOGHZBD-JTQLQIEISA-N 1 2 335.316 1.985 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353182423 149315135 /nfs/dbraw/zinc/31/51/35/149315135.db2.gz KZARSVHOFHMJPV-UHFFFAOYSA-N 1 2 327.300 1.810 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000355062993 150098299 /nfs/dbraw/zinc/09/82/99/150098299.db2.gz GXGNVWSXCVZYET-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000355062993 150098301 /nfs/dbraw/zinc/09/83/01/150098301.db2.gz GXGNVWSXCVZYET-NSHDSACASA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000355064185 150099259 /nfs/dbraw/zinc/09/92/59/150099259.db2.gz HXVGHKTWHBKCFA-NSHDSACASA-N 1 2 333.344 1.792 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000355064185 150099261 /nfs/dbraw/zinc/09/92/61/150099261.db2.gz HXVGHKTWHBKCFA-NSHDSACASA-N 1 2 333.344 1.792 20 5 EDBDLO CSc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000355067345 150101121 /nfs/dbraw/zinc/10/11/21/150101121.db2.gz JWDDRXVLKSFJAB-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO CSc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000355067345 150101124 /nfs/dbraw/zinc/10/11/24/150101124.db2.gz JWDDRXVLKSFJAB-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCn2cnnc2C1 ZINC000357598384 151079833 /nfs/dbraw/zinc/07/98/33/151079833.db2.gz LXMMZFGVUGEDIB-UHFFFAOYSA-N 1 2 339.315 1.028 20 5 EDBDLO Cc1ccc2[nH+]c(CNC(=O)NCCn3cc([N+](=O)[O-])cn3)cn2c1 ZINC000357899459 151188538 /nfs/dbraw/zinc/18/85/38/151188538.db2.gz VACBIMKXLZCSCF-UHFFFAOYSA-N 1 2 343.347 1.247 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358391825 151360235 /nfs/dbraw/zinc/36/02/35/151360235.db2.gz IMPUIYIUYJSZCO-LLVKDONJSA-N 1 2 325.340 1.113 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358391825 151360236 /nfs/dbraw/zinc/36/02/36/151360236.db2.gz IMPUIYIUYJSZCO-LLVKDONJSA-N 1 2 325.340 1.113 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360425817 152035763 /nfs/dbraw/zinc/03/57/63/152035763.db2.gz CYDHQQFEEQZJMK-JTQLQIEISA-N 1 2 343.343 1.476 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360425817 152035768 /nfs/dbraw/zinc/03/57/68/152035768.db2.gz CYDHQQFEEQZJMK-JTQLQIEISA-N 1 2 343.343 1.476 20 5 EDBDLO O=C(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360958905 152264658 /nfs/dbraw/zinc/26/46/58/152264658.db2.gz SAKIGBBSJNKCDZ-HNNXBMFYSA-N 1 2 347.371 1.603 20 5 EDBDLO O=C(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360958905 152264661 /nfs/dbraw/zinc/26/46/61/152264661.db2.gz SAKIGBBSJNKCDZ-HNNXBMFYSA-N 1 2 347.371 1.603 20 5 EDBDLO CC1(C)[C@@H](O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000361137300 152317755 /nfs/dbraw/zinc/31/77/55/152317755.db2.gz WWQQAPRYKGNYEC-AWEZNQCLSA-N 1 2 330.344 1.766 20 5 EDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367085304 154003892 /nfs/dbraw/zinc/00/38/92/154003892.db2.gz PQYHBRJIROUNMC-HNNXBMFYSA-N 1 2 326.356 1.705 20 5 EDBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371691704 156063784 /nfs/dbraw/zinc/06/37/84/156063784.db2.gz CDNHNNQKMQEOMB-ZFWWWQNUSA-N 1 2 346.387 1.905 20 5 EDBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371691704 156063787 /nfs/dbraw/zinc/06/37/87/156063787.db2.gz CDNHNNQKMQEOMB-ZFWWWQNUSA-N 1 2 346.387 1.905 20 5 EDBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000372454566 156398473 /nfs/dbraw/zinc/39/84/73/156398473.db2.gz KFZOBYTWIGEBMB-NWDGAFQWSA-N 1 2 348.363 1.514 20 5 EDBDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000372454566 156398477 /nfs/dbraw/zinc/39/84/77/156398477.db2.gz KFZOBYTWIGEBMB-NWDGAFQWSA-N 1 2 348.363 1.514 20 5 EDBDLO COc1cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000374358762 157259745 /nfs/dbraw/zinc/25/97/45/157259745.db2.gz FSRSHTXVAGXLNC-CQSZACIVSA-N 1 2 342.355 1.785 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000374571129 157331774 /nfs/dbraw/zinc/33/17/74/157331774.db2.gz FZYWXOXYMDBFPX-LBPRGKRZSA-N 1 2 336.323 1.186 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000374571129 157331779 /nfs/dbraw/zinc/33/17/79/157331779.db2.gz FZYWXOXYMDBFPX-LBPRGKRZSA-N 1 2 336.323 1.186 20 5 EDBDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000378383931 158159853 /nfs/dbraw/zinc/15/98/53/158159853.db2.gz SPTAUMABVBUKIX-UHFFFAOYSA-N 1 2 340.343 1.508 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408084313 158261373 /nfs/dbraw/zinc/26/13/73/158261373.db2.gz OJVRYJPMCKGQLQ-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000408084313 158261375 /nfs/dbraw/zinc/26/13/75/158261375.db2.gz OJVRYJPMCKGQLQ-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000352295863 162101305 /nfs/dbraw/zinc/10/13/05/162101305.db2.gz WHJIENKAVMDIKP-APXPCNQMSA-N 1 2 348.384 1.374 20 5 EDBDLO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000090552792 287330928 /nfs/dbraw/zinc/33/09/28/287330928.db2.gz QJFCCMIVIMLYAS-UHFFFAOYSA-N 1 2 325.365 1.420 20 5 EDBDLO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000090552792 287330930 /nfs/dbraw/zinc/33/09/30/287330930.db2.gz QJFCCMIVIMLYAS-UHFFFAOYSA-N 1 2 325.365 1.420 20 5 EDBDLO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000151296585 287595063 /nfs/dbraw/zinc/59/50/63/287595063.db2.gz NNJLLEYSACXJCG-UHFFFAOYSA-N 1 2 342.355 1.966 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273391634 268041242 /nfs/dbraw/zinc/04/12/42/268041242.db2.gz UZYPTGCBPVMEMC-QWHCGFSZSA-N 1 2 340.376 1.606 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273391634 268041245 /nfs/dbraw/zinc/04/12/45/268041245.db2.gz UZYPTGCBPVMEMC-QWHCGFSZSA-N 1 2 340.376 1.606 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000275636188 268366591 /nfs/dbraw/zinc/36/65/91/268366591.db2.gz NIWFKTQKJPHRBR-LLVKDONJSA-N 1 2 345.359 1.677 20 5 EDBDLO CN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000273574215 273045787 /nfs/dbraw/zinc/04/57/87/273045787.db2.gz FPXMBVWRVYPJHN-UHFFFAOYSA-N 1 2 348.384 1.776 20 5 EDBDLO Nc1nc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000275670458 273118172 /nfs/dbraw/zinc/11/81/72/273118172.db2.gz PNYLDBXGKMFXTA-LLVKDONJSA-N 1 2 329.364 1.910 20 5 EDBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000279496320 273302462 /nfs/dbraw/zinc/30/24/62/273302462.db2.gz ICROVFWNRQETJX-UHFFFAOYSA-N 1 2 345.758 1.066 20 5 EDBDLO Cc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284746126 274315298 /nfs/dbraw/zinc/31/52/98/274315298.db2.gz JEEUYYSQWYRIOI-HUUCEWRRSA-N 1 2 334.376 1.840 20 5 EDBDLO Cc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284746126 274315300 /nfs/dbraw/zinc/31/53/00/274315300.db2.gz JEEUYYSQWYRIOI-HUUCEWRRSA-N 1 2 334.376 1.840 20 5 EDBDLO Cc1noc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C)n1 ZINC000284864121 274364116 /nfs/dbraw/zinc/36/41/16/274364116.db2.gz MJFQQMNVLADEPF-OAHLLOKOSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1noc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C)n1 ZINC000284864121 274364118 /nfs/dbraw/zinc/36/41/18/274364118.db2.gz MJFQQMNVLADEPF-OAHLLOKOSA-N 1 2 347.375 1.654 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285580441 274585862 /nfs/dbraw/zinc/58/58/62/274585862.db2.gz AUZUIYFQSSFJQY-ZFWWWQNUSA-N 1 2 349.387 1.295 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000349252046 275809520 /nfs/dbraw/zinc/80/95/20/275809520.db2.gz KSLUFWDFVZXAPG-UHFFFAOYSA-N 1 2 326.784 1.634 20 5 EDBDLO CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000487100590 280016657 /nfs/dbraw/zinc/01/66/57/280016657.db2.gz OAPBJRFHBQZYKH-ZDUSSCGKSA-N 1 2 341.433 1.775 20 5 EDBDLO CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000487100590 280016660 /nfs/dbraw/zinc/01/66/60/280016660.db2.gz OAPBJRFHBQZYKH-ZDUSSCGKSA-N 1 2 341.433 1.775 20 5 EDBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027927282 289018354 /nfs/dbraw/zinc/01/83/54/289018354.db2.gz CRRFUKUQXYJAHJ-CQSZACIVSA-N 1 2 346.387 1.037 20 5 EDBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027927282 289018355 /nfs/dbraw/zinc/01/83/55/289018355.db2.gz CRRFUKUQXYJAHJ-CQSZACIVSA-N 1 2 346.387 1.037 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305765129 289383518 /nfs/dbraw/zinc/38/35/18/289383518.db2.gz GTYRVNSDSHEICT-KCJUWKMLSA-N 1 2 335.282 1.777 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305765129 289383520 /nfs/dbraw/zinc/38/35/20/289383520.db2.gz GTYRVNSDSHEICT-KCJUWKMLSA-N 1 2 335.282 1.777 20 5 EDBDLO COCCOCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000292996560 289494841 /nfs/dbraw/zinc/49/48/41/289494841.db2.gz COFTUWUONJPZBH-UHFFFAOYSA-N 1 2 337.376 1.016 20 5 EDBDLO C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000342629876 299989446 /nfs/dbraw/zinc/98/94/46/299989446.db2.gz BZDLCKKYDYFCPD-FZMZJTMJSA-N 1 2 329.360 1.978 20 5 EDBDLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339069515 300286336 /nfs/dbraw/zinc/28/63/36/300286336.db2.gz WJEAFFMAPMKMQL-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000350932274 302046452 /nfs/dbraw/zinc/04/64/52/302046452.db2.gz AGRGITIVAKLJDF-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000350932274 302046455 /nfs/dbraw/zinc/04/64/55/302046455.db2.gz AGRGITIVAKLJDF-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO O=CN1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000294286951 303087075 /nfs/dbraw/zinc/08/70/75/303087075.db2.gz TWKLWQCDBRGRBS-UHFFFAOYSA-N 1 2 331.332 1.309 20 5 EDBDLO O=CN1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000294286951 303087076 /nfs/dbraw/zinc/08/70/76/303087076.db2.gz TWKLWQCDBRGRBS-UHFFFAOYSA-N 1 2 331.332 1.309 20 5 EDBDLO Cc1cc(N2C[C@@H](CO)OC[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301729122 303692105 /nfs/dbraw/zinc/69/21/05/303692105.db2.gz WMRLYBCQVZGWEP-DOMZBBRYSA-N 1 2 344.371 1.946 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000302113909 303713068 /nfs/dbraw/zinc/71/30/68/303713068.db2.gz VLCUJTXPQCVDBP-NWDGAFQWSA-N 1 2 337.376 1.903 20 5 EDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264999323 304797878 /nfs/dbraw/zinc/79/78/78/304797878.db2.gz ZAMXNASGOCTMBT-UHFFFAOYSA-N 1 2 343.380 1.593 20 5 EDBDLO CC(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000432924384 305097710 /nfs/dbraw/zinc/09/77/10/305097710.db2.gz LFKQBOMFWGIFLJ-LLVKDONJSA-N 1 2 327.406 1.431 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000449653278 305316111 /nfs/dbraw/zinc/31/61/11/305316111.db2.gz RSJOXBXVZSSROQ-SECBINFHSA-N 1 2 329.303 1.578 20 5 EDBDLO COCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451296223 305337062 /nfs/dbraw/zinc/33/70/62/305337062.db2.gz LXEYBOVIWOLKFL-UHFFFAOYSA-N 1 2 330.344 1.889 20 5 EDBDLO O=C(C[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432889 305345659 /nfs/dbraw/zinc/34/56/59/305345659.db2.gz ONWYKIJJGAAUTA-ZDUSSCGKSA-N 1 2 349.721 1.889 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432889 305345660 /nfs/dbraw/zinc/34/56/60/305345660.db2.gz ONWYKIJJGAAUTA-ZDUSSCGKSA-N 1 2 349.721 1.889 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441481 305346632 /nfs/dbraw/zinc/34/66/32/305346632.db2.gz YVCJONJGVLNZOY-LKFCYVNXSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441481 305346633 /nfs/dbraw/zinc/34/66/33/305346633.db2.gz YVCJONJGVLNZOY-LKFCYVNXSA-N 1 2 329.303 1.624 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000452053979 305380866 /nfs/dbraw/zinc/38/08/66/305380866.db2.gz YJXRKFUAONSBSB-UHFFFAOYSA-N 1 2 349.391 1.256 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492023665 305582368 /nfs/dbraw/zinc/58/23/68/305582368.db2.gz MVBHDRJMDKTUTO-NSHDSACASA-N 1 2 336.373 1.393 20 5 EDBDLO CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448853011 447352565 /nfs/dbraw/zinc/35/25/65/447352565.db2.gz NCXUXRXCLIXWHV-CYBMUJFWSA-N 1 2 343.343 1.131 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000537324388 306026632 /nfs/dbraw/zinc/02/66/32/306026632.db2.gz ZLOKISSQGKPRQO-UHFFFAOYSA-N 1 2 330.344 1.952 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000542610595 306055135 /nfs/dbraw/zinc/05/51/35/306055135.db2.gz FEFFLVLRBJAHTJ-DTWKUNHWSA-N 1 2 349.347 1.973 20 5 EDBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000044486867 440849369 /nfs/dbraw/zinc/84/93/69/440849369.db2.gz JPFRBURLEMJLAR-UHFFFAOYSA-N 1 2 348.384 1.818 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000044534667 440854756 /nfs/dbraw/zinc/85/47/56/440854756.db2.gz CNIFZOPYEFEJIS-GFCCVEGCSA-N 1 2 336.392 1.111 20 5 EDBDLO O=C(NC1CC[NH+](C2CC2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045313792 440972217 /nfs/dbraw/zinc/97/22/17/440972217.db2.gz ZZEUVWORMZOBEY-UHFFFAOYSA-N 1 2 329.360 1.828 20 5 EDBDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000019531894 441257905 /nfs/dbraw/zinc/25/79/05/441257905.db2.gz ASZMVOOLNHYOFT-AWEZNQCLSA-N 1 2 334.420 1.878 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048918098 441336942 /nfs/dbraw/zinc/33/69/42/441336942.db2.gz KRFICONRIPUUKG-UHFFFAOYSA-N 1 2 337.723 1.200 20 5 EDBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000106483407 441346640 /nfs/dbraw/zinc/34/66/40/441346640.db2.gz SQEJAWZTXQHEOS-GFCCVEGCSA-N 1 2 347.419 1.527 20 5 EDBDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027564810 441406982 /nfs/dbraw/zinc/40/69/82/441406982.db2.gz BJUHNOYENRPYEX-GFCCVEGCSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027564810 441406983 /nfs/dbraw/zinc/40/69/83/441406983.db2.gz BJUHNOYENRPYEX-GFCCVEGCSA-N 1 2 334.376 1.476 20 5 EDBDLO NC(=O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000052826618 441477764 /nfs/dbraw/zinc/47/77/64/441477764.db2.gz DKLBSIBQWRJHAI-UHFFFAOYSA-N 1 2 346.387 1.214 20 5 EDBDLO NC(=O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000052826618 441477766 /nfs/dbraw/zinc/47/77/66/441477766.db2.gz DKLBSIBQWRJHAI-UHFFFAOYSA-N 1 2 346.387 1.214 20 5 EDBDLO O=C(Nc1c[nH]ccc1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000052964467 441490307 /nfs/dbraw/zinc/49/03/07/441490307.db2.gz QHIVPTSNOYGVOL-UHFFFAOYSA-N 1 2 325.284 1.721 20 5 EDBDLO Cn1cc(C(=O)NCCn2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052977095 441490719 /nfs/dbraw/zinc/49/07/19/441490719.db2.gz LMQIACJAULGKAT-UHFFFAOYSA-N 1 2 340.343 1.622 20 5 EDBDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000085871675 441454475 /nfs/dbraw/zinc/45/44/75/441454475.db2.gz AOHFDXCJFKRREU-ZDUSSCGKSA-N 1 2 347.375 1.004 20 5 EDBDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000085871675 441454479 /nfs/dbraw/zinc/45/44/79/441454479.db2.gz AOHFDXCJFKRREU-ZDUSSCGKSA-N 1 2 347.375 1.004 20 5 EDBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000029529847 441462351 /nfs/dbraw/zinc/46/23/51/441462351.db2.gz OZPDVZWBFYYFJO-CQSZACIVSA-N 1 2 347.419 1.513 20 5 EDBDLO O=C(NCCCC[NH+]1CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000053450059 441523470 /nfs/dbraw/zinc/52/34/70/441523470.db2.gz RQPFDCNEYLDCSA-UHFFFAOYSA-N 1 2 347.375 1.313 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000109768325 441506595 /nfs/dbraw/zinc/50/65/95/441506595.db2.gz DRLLZJWKDOVSJK-AWEZNQCLSA-N 1 2 340.401 1.625 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000109768325 441506596 /nfs/dbraw/zinc/50/65/96/441506596.db2.gz DRLLZJWKDOVSJK-AWEZNQCLSA-N 1 2 340.401 1.625 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 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337.401 1.228 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000616425990 450418313 /nfs/dbraw/zinc/41/83/13/450418313.db2.gz YWPYGVKIODSNJB-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000616425990 450418317 /nfs/dbraw/zinc/41/83/17/450418317.db2.gz YWPYGVKIODSNJB-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000338782924 444849694 /nfs/dbraw/zinc/84/96/94/444849694.db2.gz NLZBCHLJXLBHNC-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343230406 445151070 /nfs/dbraw/zinc/15/10/70/445151070.db2.gz UTWKAJVCDNEEIL-UHFFFAOYSA-N 1 2 329.360 1.863 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343340497 445205234 /nfs/dbraw/zinc/20/52/34/445205234.db2.gz UVAFREYVJKEGDM-ZDUSSCGKSA-N 1 2 349.387 1.587 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343340497 445205236 /nfs/dbraw/zinc/20/52/36/445205236.db2.gz UVAFREYVJKEGDM-ZDUSSCGKSA-N 1 2 349.387 1.587 20 5 EDBDLO COc1c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343358703 445209199 /nfs/dbraw/zinc/20/91/99/445209199.db2.gz IUDSXOJKBGFGBI-LBPRGKRZSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343358703 445209201 /nfs/dbraw/zinc/20/92/01/445209201.db2.gz IUDSXOJKBGFGBI-LBPRGKRZSA-N 1 2 335.360 1.196 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000351801116 445325896 /nfs/dbraw/zinc/32/58/96/445325896.db2.gz BVNLQWSIHOOPCT-LLVKDONJSA-N 1 2 338.389 1.775 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357044027 445391420 /nfs/dbraw/zinc/39/14/20/445391420.db2.gz UGUCINYKFBPFAW-LLVKDONJSA-N 1 2 345.359 1.643 20 5 EDBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCCn1cc[nH+]c1 ZINC000362561421 445440646 /nfs/dbraw/zinc/44/06/46/445440646.db2.gz NZPJAMLYGYTXRC-UHFFFAOYSA-N 1 2 346.343 1.312 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1F ZINC000349515439 445602476 /nfs/dbraw/zinc/60/24/76/445602476.db2.gz BSPGSDXNEQOQNB-CYBMUJFWSA-N 1 2 344.306 1.710 20 5 EDBDLO CCNC(=O)[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353448755 445605876 /nfs/dbraw/zinc/60/58/76/445605876.db2.gz PBUZSKMHFGZNMX-RISCZKNCSA-N 1 2 331.376 1.532 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000349616938 445624248 /nfs/dbraw/zinc/62/42/48/445624248.db2.gz NXNFWYWSOWMILJ-ZDUSSCGKSA-N 1 2 344.306 1.710 20 5 EDBDLO COC(=O)COc1ccc(CN2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000356291307 445721336 /nfs/dbraw/zinc/72/13/36/445721336.db2.gz IWPXIRWKBNEPDF-UHFFFAOYSA-N 1 2 346.343 1.359 20 5 EDBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361585140 445832707 /nfs/dbraw/zinc/83/27/07/445832707.db2.gz HHJQQLWZWTYHBK-SMDDNHRTSA-N 1 2 348.359 1.617 20 5 EDBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361585140 445832710 /nfs/dbraw/zinc/83/27/10/445832710.db2.gz HHJQQLWZWTYHBK-SMDDNHRTSA-N 1 2 348.359 1.617 20 5 EDBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365963674 445931642 /nfs/dbraw/zinc/93/16/42/445931642.db2.gz GIPPILJKVZAHBQ-UHFFFAOYSA-N 1 2 340.343 1.916 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354372892 446156686 /nfs/dbraw/zinc/15/66/86/446156686.db2.gz PVQDYSYXRFUVRP-UHFFFAOYSA-N 1 2 345.359 1.285 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000354440755 446204986 /nfs/dbraw/zinc/20/49/86/446204986.db2.gz BSOOBHFTQKZXRP-LLVKDONJSA-N 1 2 328.390 1.470 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000354440755 446204987 /nfs/dbraw/zinc/20/49/87/446204987.db2.gz BSOOBHFTQKZXRP-LLVKDONJSA-N 1 2 328.390 1.470 20 5 EDBDLO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)nc[nH+]1 ZINC000365861153 446375712 /nfs/dbraw/zinc/37/57/12/446375712.db2.gz LFAXLCCBOADHLV-UHFFFAOYSA-N 1 2 331.332 1.685 20 5 EDBDLO CC(C)Oc1cc(C(=O)N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000411277222 446462802 /nfs/dbraw/zinc/46/28/02/446462802.db2.gz MWQXSDLVIQZYNX-UHFFFAOYSA-N 1 2 337.376 1.132 20 5 EDBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc(N)nc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000411471652 446558470 /nfs/dbraw/zinc/55/84/70/446558470.db2.gz FUCUFRXXPCYGCT-WDEREUQCSA-N 1 2 345.407 2.148 20 5 EDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370949527 446536521 /nfs/dbraw/zinc/53/65/21/446536521.db2.gz CHXHIAHPMRATNL-CYBMUJFWSA-N 1 2 343.380 1.390 20 5 EDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370949527 446536523 /nfs/dbraw/zinc/53/65/23/446536523.db2.gz CHXHIAHPMRATNL-CYBMUJFWSA-N 1 2 343.380 1.390 20 5 EDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000420446058 446623382 /nfs/dbraw/zinc/62/33/82/446623382.db2.gz OCTHHJQUMCVTRZ-LLVKDONJSA-N 1 2 335.332 1.011 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000368321689 446785514 /nfs/dbraw/zinc/78/55/14/446785514.db2.gz NVGSTUIIELNMQV-HZPDHXFCSA-N 1 2 349.387 1.722 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000368321689 446785518 /nfs/dbraw/zinc/78/55/18/446785518.db2.gz NVGSTUIIELNMQV-HZPDHXFCSA-N 1 2 349.387 1.722 20 5 EDBDLO Cc1cc(C(=O)NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])c(=O)[nH]1 ZINC000377142954 446946824 /nfs/dbraw/zinc/94/68/24/446946824.db2.gz WJPOMYVEEHHMGO-UHFFFAOYSA-N 1 2 331.332 1.467 20 5 EDBDLO Cc1ccc(N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000371826776 446968050 /nfs/dbraw/zinc/96/80/50/446968050.db2.gz MRCXLLPFDRAFDY-HZPDHXFCSA-N 1 2 348.447 1.744 20 5 EDBDLO Cc1ccc(N2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000371826776 446968053 /nfs/dbraw/zinc/96/80/53/446968053.db2.gz MRCXLLPFDRAFDY-HZPDHXFCSA-N 1 2 348.447 1.744 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000372375206 447051792 /nfs/dbraw/zinc/05/17/92/447051792.db2.gz VEBAGKGGKWEPNK-QWHCGFSZSA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000372375206 447051799 /nfs/dbraw/zinc/05/17/99/447051799.db2.gz VEBAGKGGKWEPNK-QWHCGFSZSA-N 1 2 335.360 1.284 20 5 EDBDLO COc1cc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)ccc1[N+](=O)[O-] ZINC000377451284 447139633 /nfs/dbraw/zinc/13/96/33/447139633.db2.gz FLACNGMDJWPACG-UHFFFAOYSA-N 1 2 340.299 1.831 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368833716 447144843 /nfs/dbraw/zinc/14/48/43/447144843.db2.gz KMHRDGYARLZECN-LLVKDONJSA-N 1 2 342.359 1.366 20 5 EDBDLO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376006785 447206403 /nfs/dbraw/zinc/20/64/03/447206403.db2.gz KJWWUBKERICVPK-YOEHRIQHSA-N 1 2 349.387 1.464 20 5 EDBDLO CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000376006785 447206404 /nfs/dbraw/zinc/20/64/04/447206404.db2.gz KJWWUBKERICVPK-YOEHRIQHSA-N 1 2 349.387 1.464 20 5 EDBDLO COC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000450521438 447514962 /nfs/dbraw/zinc/51/49/62/447514962.db2.gz XJVOFSONSNZBSZ-LBPRGKRZSA-N 1 2 334.332 1.172 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000450570621 447529563 /nfs/dbraw/zinc/52/95/63/447529563.db2.gz ZZQDXTDQSVYOHQ-XEZPLFJOSA-N 1 2 342.355 1.623 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427757828 447643747 /nfs/dbraw/zinc/64/37/47/447643747.db2.gz KSTHESCCPVJAOP-GFCCVEGCSA-N 1 2 347.375 1.312 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000427757828 447643750 /nfs/dbraw/zinc/64/37/50/447643750.db2.gz KSTHESCCPVJAOP-GFCCVEGCSA-N 1 2 347.375 1.312 20 5 EDBDLO COCC1(C)C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000459624248 447724574 /nfs/dbraw/zinc/72/45/74/447724574.db2.gz SLYZXPBHGYOBES-UHFFFAOYSA-N 1 2 338.360 1.615 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523442397 447887063 /nfs/dbraw/zinc/88/70/63/447887063.db2.gz CNJMXXYJZUAKPF-LBPRGKRZSA-N 1 2 339.417 1.524 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523442397 447887066 /nfs/dbraw/zinc/88/70/66/447887066.db2.gz CNJMXXYJZUAKPF-LBPRGKRZSA-N 1 2 339.417 1.524 20 5 EDBDLO COc1cc(C(=O)NCc2c[nH+]c(C)nc2N)cc([N+](=O)[O-])c1OC ZINC000576042057 447957740 /nfs/dbraw/zinc/95/77/40/447957740.db2.gz AILYXQAMPODBTE-UHFFFAOYSA-N 1 2 347.331 1.223 20 5 EDBDLO COC[C@@](C)(O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552058032 447931686 /nfs/dbraw/zinc/93/16/86/447931686.db2.gz RYIGZYZLJNGMOX-ZBFHGGJFSA-N 1 2 334.376 1.405 20 5 EDBDLO CCOc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1[N+](=O)[O-] ZINC000571525645 448166592 /nfs/dbraw/zinc/16/65/92/448166592.db2.gz DVAXFAVTLAEEPY-UHFFFAOYSA-N 1 2 331.332 1.604 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3[nH+]cnc4c3OCCN4)c2c1 ZINC000591161077 448276642 /nfs/dbraw/zinc/27/66/42/448276642.db2.gz QSDJUODCDNQPAM-UHFFFAOYSA-N 1 2 340.343 1.438 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3nc[nH+]c4c3OCCN4)c2c1 ZINC000591161077 448276646 /nfs/dbraw/zinc/27/66/46/448276646.db2.gz QSDJUODCDNQPAM-UHFFFAOYSA-N 1 2 340.343 1.438 20 5 EDBDLO COC(=O)c1cnc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000577488476 448311036 /nfs/dbraw/zinc/31/10/36/448311036.db2.gz WUALFQWWGJVJPQ-JTQLQIEISA-N 1 2 327.362 1.199 20 5 EDBDLO COC(=O)c1cnc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000577488476 448311040 /nfs/dbraw/zinc/31/10/40/448311040.db2.gz WUALFQWWGJVJPQ-JTQLQIEISA-N 1 2 327.362 1.199 20 5 EDBDLO O=C1NCCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000591183330 448282546 /nfs/dbraw/zinc/28/25/46/448282546.db2.gz RVKXLMSBTAGTSU-CQSZACIVSA-N 1 2 348.403 1.365 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000566470780 448485418 /nfs/dbraw/zinc/48/54/18/448485418.db2.gz VXNCUMXJEDXUIS-UHFFFAOYSA-N 1 2 332.316 1.512 20 5 EDBDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000573110334 448546533 /nfs/dbraw/zinc/54/65/33/448546533.db2.gz ZIBDHAQFHKKTTM-UHFFFAOYSA-N 1 2 349.778 1.759 20 5 EDBDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000573110334 448546538 /nfs/dbraw/zinc/54/65/38/448546538.db2.gz ZIBDHAQFHKKTTM-UHFFFAOYSA-N 1 2 349.778 1.759 20 5 EDBDLO C[C@H]1C(=O)N(C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592729523 448964783 /nfs/dbraw/zinc/96/47/83/448964783.db2.gz QUVMUUJLIWQUGN-JTQLQIEISA-N 1 2 329.316 1.041 20 5 EDBDLO CC(C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000589103997 448969161 /nfs/dbraw/zinc/96/91/61/448969161.db2.gz ZYWTUJMOWJPNMY-GFCCVEGCSA-N 1 2 328.800 1.834 20 5 EDBDLO C[C@@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1cc[nH+]c1 ZINC000522004030 449040179 /nfs/dbraw/zinc/04/01/79/449040179.db2.gz MQPQQNCKTUCWQZ-JTQLQIEISA-N 1 2 328.332 1.935 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4n(n3)CCC4)CC2)cn1 ZINC000592996320 449097573 /nfs/dbraw/zinc/09/75/73/449097573.db2.gz CWNWMLUZQNBFRS-UHFFFAOYSA-N 1 2 328.376 1.455 20 5 EDBDLO C[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)n1cc[nH+]c1 ZINC000593029537 449108220 /nfs/dbraw/zinc/10/82/20/449108220.db2.gz FZRWTCVOAAFFHS-ZDUSSCGKSA-N 1 2 344.375 1.486 20 5 EDBDLO COc1cc(NCC[NH+]2CCN(C(C)=O)CC2)c([N+](=O)[O-])cc1C ZINC000590572500 449197216 /nfs/dbraw/zinc/19/72/16/449197216.db2.gz NJIVOHXHUOVFCA-UHFFFAOYSA-N 1 2 336.392 1.488 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3nccnc3C2)c1 ZINC000595858478 449210935 /nfs/dbraw/zinc/21/09/35/449210935.db2.gz VWXKHFPBYACKRW-ZDUSSCGKSA-N 1 2 330.344 1.183 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3nccnc3C2)c1 ZINC000595858478 449210940 /nfs/dbraw/zinc/21/09/40/449210940.db2.gz VWXKHFPBYACKRW-ZDUSSCGKSA-N 1 2 330.344 1.183 20 5 EDBDLO C[C@@](O)(C[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000601956699 449244327 /nfs/dbraw/zinc/24/43/27/449244327.db2.gz FSPPQSPTDFWUDF-RHSMWYFYSA-N 1 2 336.388 1.570 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCn3cc[nH+]c3C2)s1 ZINC000611281031 449247955 /nfs/dbraw/zinc/24/79/55/449247955.db2.gz OJOSWDIQJUUZHU-UHFFFAOYSA-N 1 2 328.375 1.277 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601971955 449255348 /nfs/dbraw/zinc/25/53/48/449255348.db2.gz XOMOKQLHJXQBGN-HNNXBMFYSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601971955 449255353 /nfs/dbraw/zinc/25/53/53/449255353.db2.gz XOMOKQLHJXQBGN-HNNXBMFYSA-N 1 2 348.403 1.784 20 5 EDBDLO CCn1cc[nH+]c1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000590712719 449256940 /nfs/dbraw/zinc/25/69/40/449256940.db2.gz IOHYUROZSSELFE-UHFFFAOYSA-N 1 2 330.348 1.614 20 5 EDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnnn1C1CC[NH2+]CC1 ZINC000595931692 449261946 /nfs/dbraw/zinc/26/19/46/449261946.db2.gz KEIRVQSSNOZNSU-UHFFFAOYSA-N 1 2 332.320 1.069 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000598226591 449299363 /nfs/dbraw/zinc/29/93/63/449299363.db2.gz NMZLUNJFIAGCAM-BLLLJJGKSA-N 1 2 328.328 1.377 20 5 EDBDLO O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598297537 449343051 /nfs/dbraw/zinc/34/30/51/449343051.db2.gz VPWHIKNDDKXMBA-GJZGRUSLSA-N 1 2 342.355 1.814 20 5 EDBDLO COc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596208514 449415936 /nfs/dbraw/zinc/41/59/36/449415936.db2.gz IGVKTKYBOLAZBB-SNVBAGLBSA-N 1 2 329.784 1.760 20 5 EDBDLO COc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596208514 449415942 /nfs/dbraw/zinc/41/59/42/449415942.db2.gz IGVKTKYBOLAZBB-SNVBAGLBSA-N 1 2 329.784 1.760 20 5 EDBDLO Cn1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c([N+](=O)[O-])n1 ZINC000602451792 449598018 /nfs/dbraw/zinc/59/80/18/449598018.db2.gz CFHMLXUDTSRXAR-UHFFFAOYSA-N 1 2 349.416 1.784 20 5 EDBDLO CCOc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000598943066 449662253 /nfs/dbraw/zinc/66/22/53/449662253.db2.gz PIKVNWHZOHFBHC-JTQLQIEISA-N 1 2 346.343 1.553 20 5 EDBDLO Cc1nn(CCC(=O)N[C@H]2CCn3c[nH+]cc3C2)c(C)c1[N+](=O)[O-] ZINC000598946245 449664636 /nfs/dbraw/zinc/66/46/36/449664636.db2.gz DWRSHDWXZIRRSK-LBPRGKRZSA-N 1 2 332.364 1.126 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599066566 449715257 /nfs/dbraw/zinc/71/52/57/449715257.db2.gz TVXDRWXDZSDMRO-ARFHVFGLSA-N 1 2 346.387 1.547 20 5 EDBDLO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCOCC1 ZINC000601104368 449691981 /nfs/dbraw/zinc/69/19/81/449691981.db2.gz ULZKLASMLXCWGV-QMMMGPOBSA-N 1 2 337.302 1.480 20 5 EDBDLO CNC(=O)NC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599129009 449752339 /nfs/dbraw/zinc/75/23/39/449752339.db2.gz NSGGHUWPSCDQJZ-CYBMUJFWSA-N 1 2 345.359 1.277 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000599132266 449755329 /nfs/dbraw/zinc/75/53/29/449755329.db2.gz YZOKGLDODJXVFD-KRWDZBQOSA-N 1 2 335.404 1.931 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000599132266 449755335 /nfs/dbraw/zinc/75/53/35/449755335.db2.gz YZOKGLDODJXVFD-KRWDZBQOSA-N 1 2 335.404 1.931 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])s1 ZINC000601357539 449870230 /nfs/dbraw/zinc/87/02/30/449870230.db2.gz ULUXWFGMGNJZOE-LLVKDONJSA-N 1 2 343.430 1.600 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602874682 449883324 /nfs/dbraw/zinc/88/33/24/449883324.db2.gz HGQKXOGYADOLNA-LBPRGKRZSA-N 1 2 329.347 1.901 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000602839741 449848040 /nfs/dbraw/zinc/84/80/40/449848040.db2.gz KCXSUQTXNPRYQN-AWEZNQCLSA-N 1 2 342.421 1.000 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000602839741 449848047 /nfs/dbraw/zinc/84/80/47/449848047.db2.gz KCXSUQTXNPRYQN-AWEZNQCLSA-N 1 2 342.421 1.000 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)cn1 ZINC000595287837 450003151 /nfs/dbraw/zinc/00/31/51/450003151.db2.gz NJVTYDNCKVHJLQ-GFCCVEGCSA-N 1 2 328.319 1.536 20 5 EDBDLO COC(=O)CCN1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000595289114 450005143 /nfs/dbraw/zinc/00/51/43/450005143.db2.gz OMCNYRWCHNUICK-AWEZNQCLSA-N 1 2 335.360 1.191 20 5 EDBDLO COC(=O)CCN1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000595289114 450005150 /nfs/dbraw/zinc/00/51/50/450005150.db2.gz OMCNYRWCHNUICK-AWEZNQCLSA-N 1 2 335.360 1.191 20 5 EDBDLO COc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000609354764 450019013 /nfs/dbraw/zinc/01/90/13/450019013.db2.gz NAKCJRVWHQANFA-UHFFFAOYSA-N 1 2 329.312 1.902 20 5 EDBDLO C[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609560851 450051962 /nfs/dbraw/zinc/05/19/62/450051962.db2.gz KPPRVMIFVAGLDF-GFCCVEGCSA-N 1 2 343.387 1.700 20 5 EDBDLO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609560851 450051965 /nfs/dbraw/zinc/05/19/65/450051965.db2.gz KPPRVMIFVAGLDF-GFCCVEGCSA-N 1 2 343.387 1.700 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000618284567 450115678 /nfs/dbraw/zinc/11/56/78/450115678.db2.gz QBKWVAXAHJZRMQ-WBMJQRKESA-N 1 2 345.403 1.624 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000618284567 450115685 /nfs/dbraw/zinc/11/56/85/450115685.db2.gz QBKWVAXAHJZRMQ-WBMJQRKESA-N 1 2 345.403 1.624 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595467221 450162552 /nfs/dbraw/zinc/16/25/52/450162552.db2.gz FOUBDWXGHMHGAW-INIZCTEOSA-N 1 2 348.403 1.253 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ncns2)CC1 ZINC000595515042 450199556 /nfs/dbraw/zinc/19/95/56/450199556.db2.gz HDCOIFYTKJHHQH-UHFFFAOYSA-N 1 2 335.389 1.647 20 5 EDBDLO CN(CC(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610292034 450183631 /nfs/dbraw/zinc/18/36/31/450183631.db2.gz HQEMIRWPBKNZPQ-UHFFFAOYSA-N 1 2 342.355 1.716 20 5 EDBDLO Cc1[nH+]c2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccc2n1C ZINC000610310277 450188700 /nfs/dbraw/zinc/18/87/00/450188700.db2.gz FYLJYYMWFGVXDL-UHFFFAOYSA-N 1 2 341.327 1.590 20 5 EDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610506662 450248362 /nfs/dbraw/zinc/24/83/62/450248362.db2.gz JEXKHYQWLTYPBQ-OLZOCXBDSA-N 1 2 343.343 1.498 20 5 EDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610506662 450248363 /nfs/dbraw/zinc/24/83/63/450248363.db2.gz JEXKHYQWLTYPBQ-OLZOCXBDSA-N 1 2 343.343 1.498 20 5 EDBDLO COCC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610581301 450267656 /nfs/dbraw/zinc/26/76/56/450267656.db2.gz UROOCSITPBNUEX-UHFFFAOYSA-N 1 2 348.359 1.463 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000619494915 450491299 /nfs/dbraw/zinc/49/12/99/450491299.db2.gz VKPFULNGOCLFKM-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000619494915 450491303 /nfs/dbraw/zinc/49/13/03/450491303.db2.gz VKPFULNGOCLFKM-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000048598466 518189132 /nfs/dbraw/zinc/18/91/32/518189132.db2.gz GBSSNPSHSQXIOA-UHFFFAOYSA-N 1 2 331.332 1.245 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000171806963 528545978 /nfs/dbraw/zinc/54/59/78/528545978.db2.gz FDFLTRCFWBSMNZ-UHFFFAOYSA-N 1 2 339.396 1.111 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000171806963 528545987 /nfs/dbraw/zinc/54/59/87/528545987.db2.gz FDFLTRCFWBSMNZ-UHFFFAOYSA-N 1 2 339.396 1.111 20 5 EDBDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000345661730 536433447 /nfs/dbraw/zinc/43/34/47/536433447.db2.gz WHDREURTBCTSPI-HIFRSBDPSA-N 1 2 337.401 1.499 20 5 EDBDLO C[N@H+]1CCO[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000345661730 536433449 /nfs/dbraw/zinc/43/34/49/536433449.db2.gz WHDREURTBCTSPI-HIFRSBDPSA-N 1 2 337.401 1.499 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000270521704 536695849 /nfs/dbraw/zinc/69/58/49/536695849.db2.gz SYPDQQWUSJPYLA-ZDUSSCGKSA-N 1 2 332.316 1.140 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000270521704 536695853 /nfs/dbraw/zinc/69/58/53/536695853.db2.gz SYPDQQWUSJPYLA-ZDUSSCGKSA-N 1 2 332.316 1.140 20 5 EDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000742269797 579446214 /nfs/dbraw/zinc/44/62/14/579446214.db2.gz HYSZEMPCJLSTPK-UHFFFAOYSA-N 1 2 346.324 1.943 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000726254536 578338379 /nfs/dbraw/zinc/33/83/79/578338379.db2.gz QVWDFOIMWAWBDF-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000726254536 578338380 /nfs/dbraw/zinc/33/83/80/578338380.db2.gz QVWDFOIMWAWBDF-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000729921140 578599835 /nfs/dbraw/zinc/59/98/35/578599835.db2.gz YUVXJAVDJIQDMI-UHFFFAOYSA-N 1 2 346.347 1.559 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081397 579536818 /nfs/dbraw/zinc/53/68/18/579536818.db2.gz YAVFWAIMJISARE-ZDUSSCGKSA-N 1 2 335.360 1.869 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081397 579536819 /nfs/dbraw/zinc/53/68/19/579536819.db2.gz YAVFWAIMJISARE-ZDUSSCGKSA-N 1 2 335.360 1.869 20 5 EDBDLO NC(=O)C1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000746472886 579596733 /nfs/dbraw/zinc/59/67/33/579596733.db2.gz QKKBVKNESNEJAT-UHFFFAOYSA-N 1 2 331.332 1.533 20 5 EDBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1[nH]c[nH+]c1C ZINC000754346946 579901559 /nfs/dbraw/zinc/90/15/59/579901559.db2.gz 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O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1Br ZINC000905692673 592624151 /nfs/dbraw/zinc/62/41/51/592624151.db2.gz CRCJACTWWWAERH-MRVPVSSYSA-N 1 2 347.169 1.206 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1Br ZINC000905692673 592624154 /nfs/dbraw/zinc/62/41/54/592624154.db2.gz CRCJACTWWWAERH-MRVPVSSYSA-N 1 2 347.169 1.206 20 5 EDBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794646901 593185502 /nfs/dbraw/zinc/18/55/02/593185502.db2.gz XHPHHQCERSFKFQ-NSHDSACASA-N 1 2 346.343 1.157 20 5 EDBDLO O=C1CCCN1[C@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794646901 593185504 /nfs/dbraw/zinc/18/55/04/593185504.db2.gz XHPHHQCERSFKFQ-NSHDSACASA-N 1 2 346.343 1.157 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1Br ZINC000808749688 593285451 /nfs/dbraw/zinc/28/54/51/593285451.db2.gz BEECIVCQSKMZOD-GXFFZTMASA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1Br ZINC000808749688 593285454 /nfs/dbraw/zinc/28/54/54/593285454.db2.gz BEECIVCQSKMZOD-GXFFZTMASA-N 1 2 345.193 1.532 20 5 EDBDLO CCOCC[N@H+](CC)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839994146 593306535 /nfs/dbraw/zinc/30/65/35/593306535.db2.gz NVZQAUWCWROEGJ-MRXNPFEDSA-N 1 2 337.376 1.848 20 5 EDBDLO CCOCC[N@@H+](CC)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839994146 593306537 /nfs/dbraw/zinc/30/65/37/593306537.db2.gz NVZQAUWCWROEGJ-MRXNPFEDSA-N 1 2 337.376 1.848 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000812837737 593510621 /nfs/dbraw/zinc/51/06/21/593510621.db2.gz JKDVMUNXCOVADP-UHFFFAOYSA-N 1 2 326.349 1.207 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000814641203 593599099 /nfs/dbraw/zinc/59/90/99/593599099.db2.gz FCBPNEPMTLIXBS-DOMZBBRYSA-N 1 2 342.417 1.385 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000814641203 593599100 /nfs/dbraw/zinc/59/91/00/593599100.db2.gz FCBPNEPMTLIXBS-DOMZBBRYSA-N 1 2 342.417 1.385 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000823921514 593888476 /nfs/dbraw/zinc/88/84/76/593888476.db2.gz VYTFMGJQGSFLGJ-WDEREUQCSA-N 1 2 337.380 1.408 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000823921514 593888477 /nfs/dbraw/zinc/88/84/77/593888477.db2.gz VYTFMGJQGSFLGJ-WDEREUQCSA-N 1 2 337.380 1.408 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830886425 594505480 /nfs/dbraw/zinc/50/54/80/594505480.db2.gz PKQQVFKDMOFTNZ-PWSUYJOCSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830886425 594505481 /nfs/dbraw/zinc/50/54/81/594505481.db2.gz PKQQVFKDMOFTNZ-PWSUYJOCSA-N 1 2 328.752 1.604 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000833924414 594966624 /nfs/dbraw/zinc/96/66/24/594966624.db2.gz OCVPRPMVKDPLCQ-UONOGXRCSA-N 1 2 344.371 1.971 20 5 EDBDLO 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ZINC000835141508 595267429 /nfs/dbraw/zinc/26/74/29/595267429.db2.gz KFXZTUUKNSZSGR-UHFFFAOYSA-N 1 2 344.327 1.560 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2)c1 ZINC000844745799 595388180 /nfs/dbraw/zinc/38/81/80/595388180.db2.gz COYPSLZRUKAPEC-XAPDGSRCSA-N 1 2 332.385 1.621 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2)c1 ZINC000844745799 595388181 /nfs/dbraw/zinc/38/81/81/595388181.db2.gz COYPSLZRUKAPEC-XAPDGSRCSA-N 1 2 332.385 1.621 20 5 EDBDLO COC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000852765200 595532983 /nfs/dbraw/zinc/53/29/83/595532983.db2.gz PSVXQEFFPJSYPO-UHFFFAOYSA-N 1 2 333.348 1.792 20 5 EDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860311069 595644955 /nfs/dbraw/zinc/64/49/55/595644955.db2.gz GUDBXTZPWZAWTE-OAHLLOKOSA-N 1 2 340.383 1.478 20 5 EDBDLO C[N@H+](CCn1cccn1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000111169098 595709000 /nfs/dbraw/zinc/70/90/00/595709000.db2.gz STDCBDKLVCUQST-UHFFFAOYSA-N 1 2 329.158 1.340 20 5 EDBDLO C[N@@H+](CCn1cccn1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000111169098 595709004 /nfs/dbraw/zinc/70/90/04/595709004.db2.gz STDCBDKLVCUQST-UHFFFAOYSA-N 1 2 329.158 1.340 20 5 EDBDLO Cn1c[nH+]cc1CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853637849 595842003 /nfs/dbraw/zinc/84/20/03/595842003.db2.gz VXNBJKPVDVPCPM-INIZCTEOSA-N 1 2 343.343 1.338 20 5 EDBDLO NC(COC[C@@H]1CCOC1)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853727688 595864778 /nfs/dbraw/zinc/86/47/78/595864778.db2.gz GIYFBXQBVRGVOB-SNVBAGLBSA-N 1 2 327.312 1.785 20 5 EDBDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000851856604 595949360 /nfs/dbraw/zinc/94/93/60/595949360.db2.gz WEHMGZIBHLWKMF-MRVPVSSYSA-N 1 2 328.325 1.507 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856601244 596029643 /nfs/dbraw/zinc/02/96/43/596029643.db2.gz MBENCGGCLQCEKG-NWDGAFQWSA-N 1 2 344.327 1.178 20 5 EDBDLO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000119160065 596443110 /nfs/dbraw/zinc/44/31/10/596443110.db2.gz BVUGVJXTSSYIOC-SDBXPKJASA-N 1 2 329.303 1.322 20 5 EDBDLO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000119160065 596443114 /nfs/dbraw/zinc/44/31/14/596443114.db2.gz BVUGVJXTSSYIOC-SDBXPKJASA-N 1 2 329.303 1.322 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867710958 596508064 /nfs/dbraw/zinc/50/80/64/596508064.db2.gz GYTQGICULHBLLN-GFCCVEGCSA-N 1 2 345.396 1.615 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867710958 596508065 /nfs/dbraw/zinc/50/80/65/596508065.db2.gz GYTQGICULHBLLN-GFCCVEGCSA-N 1 2 345.396 1.615 20 5 EDBDLO Cc1c(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000870075201 596736568 /nfs/dbraw/zinc/73/65/68/596736568.db2.gz FIJXTEYDQMIFKV-CQSZACIVSA-N 1 2 349.387 1.076 20 5 EDBDLO CO[C@H]1C[C@H]2CN(c3cccnc3[N+](=O)[O-])Cc3ccc[nH+]c3N2C1 ZINC000866057178 596773547 /nfs/dbraw/zinc/77/35/47/596773547.db2.gz FSIKWAPLLGPDQU-KBPBESRZSA-N 1 2 341.371 1.999 20 5 EDBDLO CO[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)Cc3ccc[nH+]c3N2C1 ZINC000866059380 596775338 /nfs/dbraw/zinc/77/53/38/596775338.db2.gz LWZWXUVABHMKBW-CABCVRRESA-N 1 2 341.371 1.999 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000917068916 696909742 /nfs/dbraw/zinc/90/97/42/696909742.db2.gz CKYMOHSZMYWIDZ-LBPRGKRZSA-N 1 2 348.403 1.620 20 5 EDBDLO CC(C)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000917226110 696976331 /nfs/dbraw/zinc/97/63/31/696976331.db2.gz MZZZIIQCZBOTCA-NSHDSACASA-N 1 2 346.343 1.850 20 5 EDBDLO Cc1nc(C(C)C)oc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031661950 697436739 /nfs/dbraw/zinc/43/67/39/697436739.db2.gz ODLNBPVGFNHIMQ-CHWSQXEVSA-N 1 2 336.392 1.320 20 5 EDBDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001032081652 698357132 /nfs/dbraw/zinc/35/71/32/698357132.db2.gz VJEDNEFVPPCOEA-UHFFFAOYSA-N 1 2 344.375 1.068 20 5 EDBDLO NC(=O)c1ccnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000558595526 306240568 /nfs/dbraw/zinc/24/05/68/306240568.db2.gz GEHSLGNOKNZZDZ-CHWSQXEVSA-N 1 2 349.391 1.144 20 5 EDBDLO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102344878 219196291 /nfs/dbraw/zinc/19/62/91/219196291.db2.gz HILLMCOGOMELBW-UHFFFAOYSA-N 1 2 332.364 1.587 20 5 EDBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000376536236 295853401 /nfs/dbraw/zinc/85/34/01/295853401.db2.gz UMIZZDSKONNZHF-GOEBONIOSA-N 1 2 333.388 1.968 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693099 202175597 /nfs/dbraw/zinc/17/55/97/202175597.db2.gz TULQNJYNWNHNOB-UHFFFAOYSA-N 1 2 326.356 1.948 20 5 EDBDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000029162082 202181991 /nfs/dbraw/zinc/18/19/91/202181991.db2.gz RCMADJKLWYFORW-UHFFFAOYSA-N 1 2 334.376 1.300 20 5 EDBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000106799190 204211540 /nfs/dbraw/zinc/21/15/40/204211540.db2.gz SIWVCGQLJXEODZ-KRWDZBQOSA-N 1 2 346.431 1.376 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CO)C1 ZINC000245412685 139072972 /nfs/dbraw/zinc/07/29/72/139072972.db2.gz AVJRDPKGRMBEQF-NXEZZACHSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CO)C1 ZINC000245412685 139072973 /nfs/dbraw/zinc/07/29/73/139072973.db2.gz AVJRDPKGRMBEQF-NXEZZACHSA-N 1 2 327.768 1.889 20 5 EDBDLO Cc1c(CC(=O)NCC(C)(C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000159491206 206248516 /nfs/dbraw/zinc/24/85/16/206248516.db2.gz YAZFJVWVUAHCRC-UHFFFAOYSA-N 1 2 335.404 1.673 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000174988806 207080387 /nfs/dbraw/zinc/08/03/87/207080387.db2.gz QZEUXHOMIFBSSJ-UHFFFAOYSA-N 1 2 335.360 1.237 20 5 EDBDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489827717 255073378 /nfs/dbraw/zinc/07/33/78/255073378.db2.gz IRHQDFCGBCZUQZ-UHFFFAOYSA-N 1 2 334.376 1.986 20 5 EDBDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489827717 255073380 /nfs/dbraw/zinc/07/33/80/255073380.db2.gz IRHQDFCGBCZUQZ-UHFFFAOYSA-N 1 2 334.376 1.986 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000263879070 139366760 /nfs/dbraw/zinc/36/67/60/139366760.db2.gz PFXMUKDPAAMDMH-UHFFFAOYSA-N 1 2 346.387 1.340 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339077159 291993639 /nfs/dbraw/zinc/99/36/39/291993639.db2.gz ZJSXDUCXZUAVMT-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000332087531 141120372 /nfs/dbraw/zinc/12/03/72/141120372.db2.gz IRKHMTAQOOXGNF-UHFFFAOYSA-N 1 2 334.380 1.251 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000332564683 141204223 /nfs/dbraw/zinc/20/42/23/141204223.db2.gz STMONXITLXHOGB-RTXFEEFZSA-N 1 2 347.375 1.020 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000332564683 141204225 /nfs/dbraw/zinc/20/42/25/141204225.db2.gz STMONXITLXHOGB-RTXFEEFZSA-N 1 2 347.375 1.020 20 5 EDBDLO NS(=O)(=O)c1cc(NCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000339883557 142189804 /nfs/dbraw/zinc/18/98/04/142189804.db2.gz URUWEJZUDYFDSO-UHFFFAOYSA-N 1 2 347.356 1.502 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343769075 142886643 /nfs/dbraw/zinc/88/66/43/142886643.db2.gz PNAXMABFNXCBCG-CHWSQXEVSA-N 1 2 341.433 1.393 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343769075 142886644 /nfs/dbraw/zinc/88/66/44/142886644.db2.gz PNAXMABFNXCBCG-CHWSQXEVSA-N 1 2 341.433 1.393 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346087549 143166216 /nfs/dbraw/zinc/16/62/16/143166216.db2.gz TWHOGZJOIIORIB-ZWNOBZJWSA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346087549 143166217 /nfs/dbraw/zinc/16/62/17/143166217.db2.gz TWHOGZJOIIORIB-ZWNOBZJWSA-N 1 2 338.339 1.130 20 5 EDBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000347045316 143275932 /nfs/dbraw/zinc/27/59/32/143275932.db2.gz NNVPAOLNDHJMCW-DGCLKSJQSA-N 1 2 326.349 1.064 20 5 EDBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000347045316 143275933 /nfs/dbraw/zinc/27/59/33/143275933.db2.gz NNVPAOLNDHJMCW-DGCLKSJQSA-N 1 2 326.349 1.064 20 5 EDBDLO Cc1noc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000348093653 143399817 /nfs/dbraw/zinc/39/98/17/143399817.db2.gz UIJPOOQHDPBDSC-VIFPVBQESA-N 1 2 340.361 1.411 20 5 EDBDLO Cn1cc(C[N@@H+]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000353252907 149341194 /nfs/dbraw/zinc/34/11/94/149341194.db2.gz JRXYLGKEEDFALP-UHFFFAOYSA-N 1 2 345.403 1.742 20 5 EDBDLO Cn1cc(C[N@H+]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000353252907 149341197 /nfs/dbraw/zinc/34/11/97/149341197.db2.gz JRXYLGKEEDFALP-UHFFFAOYSA-N 1 2 345.403 1.742 20 5 EDBDLO COc1cccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000355421639 150262743 /nfs/dbraw/zinc/26/27/43/150262743.db2.gz QJRLAFPFSDIEIU-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO CNc1c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000361219360 152338422 /nfs/dbraw/zinc/33/84/22/152338422.db2.gz DQGMYQCATRFSNV-VXGBXAGGSA-N 1 2 336.392 1.476 20 5 EDBDLO CCN1CCO[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)C1 ZINC000361315162 152360216 /nfs/dbraw/zinc/36/02/16/152360216.db2.gz LOMITLHDRNALJS-OAHLLOKOSA-N 1 2 349.435 1.141 20 5 EDBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363887303 153085850 /nfs/dbraw/zinc/08/58/50/153085850.db2.gz UAORFCIEGPWRFE-HNNXBMFYSA-N 1 2 329.360 1.273 20 5 EDBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363887303 153085854 /nfs/dbraw/zinc/08/58/54/153085854.db2.gz UAORFCIEGPWRFE-HNNXBMFYSA-N 1 2 329.360 1.273 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367574553 154181131 /nfs/dbraw/zinc/18/11/31/154181131.db2.gz KDVDFVUWUCYJNY-SMDDNHRTSA-N 1 2 326.374 1.093 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367574553 154181135 /nfs/dbraw/zinc/18/11/35/154181135.db2.gz KDVDFVUWUCYJNY-SMDDNHRTSA-N 1 2 326.374 1.093 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000371996095 156202563 /nfs/dbraw/zinc/20/25/63/156202563.db2.gz UGSNRAIBACIDLT-HZPDHXFCSA-N 1 2 348.403 1.671 20 5 EDBDLO CCc1nc(C[NH+]2C[C@H]3CN(c4ncccc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000373932224 157071469 /nfs/dbraw/zinc/07/14/69/157071469.db2.gz GLDQBXIZRLAVOA-RYUDHWBXSA-N 1 2 344.375 1.503 20 5 EDBDLO Cc1nccnc1N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374137479 157160031 /nfs/dbraw/zinc/16/00/31/157160031.db2.gz WGBJURICTXKLHQ-INIZCTEOSA-N 1 2 343.387 1.549 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)CCC2 ZINC000378245610 158119554 /nfs/dbraw/zinc/11/95/54/158119554.db2.gz TUYFBMVWJRMJLF-GFCCVEGCSA-N 1 2 332.364 1.298 20 5 EDBDLO COCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000351910334 161834902 /nfs/dbraw/zinc/83/49/02/161834902.db2.gz PLNUBRDHHMFUAC-UHFFFAOYSA-N 1 2 327.406 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)nc1 ZINC000118866490 287348635 /nfs/dbraw/zinc/34/86/35/287348635.db2.gz JGGFPLBHRXFBDZ-LLVKDONJSA-N 1 2 330.348 1.937 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)nc1 ZINC000118866490 287348637 /nfs/dbraw/zinc/34/86/37/287348637.db2.gz JGGFPLBHRXFBDZ-LLVKDONJSA-N 1 2 330.348 1.937 20 5 EDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000275114806 268283465 /nfs/dbraw/zinc/28/34/65/268283465.db2.gz DZYTUKVILZVSJX-NSHDSACASA-N 1 2 333.344 1.480 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000275818511 273130923 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QEJZIXULLQYUMG-DZGCQCFKSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284148118 274096543 /nfs/dbraw/zinc/09/65/43/274096543.db2.gz QEJZIXULLQYUMG-DZGCQCFKSA-N 1 2 335.360 1.149 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284377836 274180807 /nfs/dbraw/zinc/18/08/07/274180807.db2.gz FTVVNENPYNJCPU-HZPDHXFCSA-N 1 2 348.403 1.206 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284377836 274180808 /nfs/dbraw/zinc/18/08/08/274180808.db2.gz FTVVNENPYNJCPU-HZPDHXFCSA-N 1 2 348.403 1.206 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000284660038 274283128 /nfs/dbraw/zinc/28/31/28/274283128.db2.gz QBRPHFXDQNTGDC-CABCVRRESA-N 1 2 347.375 1.862 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000284660038 274283130 /nfs/dbraw/zinc/28/31/30/274283130.db2.gz QBRPHFXDQNTGDC-CABCVRRESA-N 1 2 347.375 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1.476 20 5 EDBDLO C[C@H](N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)C(F)(F)F ZINC000090551772 441633641 /nfs/dbraw/zinc/63/36/41/441633641.db2.gz GDOGXNLNGIFCSD-NSHDSACASA-N 1 2 348.325 1.325 20 5 EDBDLO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCN(C)CC1 ZINC000114384132 441652639 /nfs/dbraw/zinc/65/26/39/441652639.db2.gz XLHSLRFSDLWSIM-GFCCVEGCSA-N 1 2 345.403 1.442 20 5 EDBDLO CCCC[N@H+](CC(N)=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091950366 441755588 /nfs/dbraw/zinc/75/55/88/441755588.db2.gz IXEYBNMQQUQXKQ-UHFFFAOYSA-N 1 2 325.365 1.699 20 5 EDBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091950366 441755590 /nfs/dbraw/zinc/75/55/90/441755590.db2.gz IXEYBNMQQUQXKQ-UHFFFAOYSA-N 1 2 325.365 1.699 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000121898276 441806890 /nfs/dbraw/zinc/80/68/90/441806890.db2.gz ZOPOQCLKJGSXNY-UHFFFAOYSA-N 1 2 333.388 1.779 20 5 EDBDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000143754518 441875432 /nfs/dbraw/zinc/87/54/32/441875432.db2.gz CHJGZZWIMLXPDV-UHFFFAOYSA-N 1 2 348.403 1.784 20 5 EDBDLO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000078511248 441939795 /nfs/dbraw/zinc/93/97/95/441939795.db2.gz BFDLYYWMLNNJKN-STQMWFEESA-N 1 2 337.376 1.199 20 5 EDBDLO CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000119811041 441957168 /nfs/dbraw/zinc/95/71/68/441957168.db2.gz FXMLMCJNCIKSNM-UHFFFAOYSA-N 1 2 346.387 1.917 20 5 EDBDLO C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126613932 442127364 /nfs/dbraw/zinc/12/73/64/442127364.db2.gz BAPVMFUCASODPE-UHFFFAOYSA-N 1 2 332.154 1.220 20 5 EDBDLO C[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126613932 442127366 /nfs/dbraw/zinc/12/73/66/442127366.db2.gz BAPVMFUCASODPE-UHFFFAOYSA-N 1 2 332.154 1.220 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000170863574 442278615 /nfs/dbraw/zinc/27/86/15/442278615.db2.gz UDVMKELKSXRTPB-UHFFFAOYSA-N 1 2 337.376 1.201 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000170863574 442278617 /nfs/dbraw/zinc/27/86/17/442278617.db2.gz UDVMKELKSXRTPB-UHFFFAOYSA-N 1 2 337.376 1.201 20 5 EDBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153401992 442280528 /nfs/dbraw/zinc/28/05/28/442280528.db2.gz GLGBNEKMJMEDJD-JSGCOSHPSA-N 1 2 333.388 1.637 20 5 EDBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153401992 442280530 /nfs/dbraw/zinc/28/05/30/442280530.db2.gz GLGBNEKMJMEDJD-JSGCOSHPSA-N 1 2 333.388 1.637 20 5 EDBDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153062468 442259173 /nfs/dbraw/zinc/25/91/73/442259173.db2.gz DALUXSQGXRFPTA-NSHDSACASA-N 1 2 348.403 1.966 20 5 EDBDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153062468 442259175 /nfs/dbraw/zinc/25/91/75/442259175.db2.gz DALUXSQGXRFPTA-NSHDSACASA-N 1 2 348.403 1.966 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCF)CC1 ZINC000178263591 442420096 /nfs/dbraw/zinc/42/00/96/442420096.db2.gz BKXIHNFMLBYXTC-UHFFFAOYSA-N 1 2 345.396 1.569 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000172995765 442580441 /nfs/dbraw/zinc/58/04/41/442580441.db2.gz IGKOBTLIFBLVHN-UHFFFAOYSA-N 1 2 340.383 1.877 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)nc1 ZINC000180431693 442601298 /nfs/dbraw/zinc/60/12/98/442601298.db2.gz GQEQRBRUIZVQAS-LLVKDONJSA-N 1 2 329.364 1.672 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)nc1 ZINC000180431693 442601301 /nfs/dbraw/zinc/60/13/01/442601301.db2.gz GQEQRBRUIZVQAS-LLVKDONJSA-N 1 2 329.364 1.672 20 5 EDBDLO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C(N)=O)C1 ZINC000187437928 442676671 /nfs/dbraw/zinc/67/66/71/442676671.db2.gz SFEZYNNTZURZCH-ABAIWWIYSA-N 1 2 346.387 1.070 20 5 EDBDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C(N)=O)C1 ZINC000187437928 442676674 /nfs/dbraw/zinc/67/66/74/442676674.db2.gz SFEZYNNTZURZCH-ABAIWWIYSA-N 1 2 346.387 1.070 20 5 EDBDLO COC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000192536155 442660061 /nfs/dbraw/zinc/66/00/61/442660061.db2.gz FZKQXCDWUOEQKN-ZDUSSCGKSA-N 1 2 344.327 1.558 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000182738724 442816237 /nfs/dbraw/zinc/81/62/37/442816237.db2.gz HWQQQPVFEVRTTC-YPMHNXCESA-N 1 2 337.376 1.218 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C[C@@H](C)O ZINC000182738724 442816241 /nfs/dbraw/zinc/81/62/41/442816241.db2.gz HWQQQPVFEVRTTC-YPMHNXCESA-N 1 2 337.376 1.218 20 5 EDBDLO Cc1nn(C)c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000194092772 442844195 /nfs/dbraw/zinc/84/41/95/442844195.db2.gz PTHSYFRRZPZKOO-UHFFFAOYSA-N 1 2 344.375 1.562 20 5 EDBDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000268445263 442992224 /nfs/dbraw/zinc/99/22/24/442992224.db2.gz UVWBXIJOGVHGRE-AWEZNQCLSA-N 1 2 347.419 1.513 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000269051096 443183761 /nfs/dbraw/zinc/18/37/61/443183761.db2.gz QYIZVILMTWDIJD-UHFFFAOYSA-N 1 2 347.824 1.762 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000266508649 443150668 /nfs/dbraw/zinc/15/06/68/443150668.db2.gz DAPOIUDUZQUXLA-CYBMUJFWSA-N 1 2 332.404 1.552 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185420656 443197763 /nfs/dbraw/zinc/19/77/63/443197763.db2.gz FUUBKIAEKDFDLB-XFNZEKPQSA-N 1 2 327.406 1.541 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185420656 443197766 /nfs/dbraw/zinc/19/77/66/443197766.db2.gz FUUBKIAEKDFDLB-XFNZEKPQSA-N 1 2 327.406 1.541 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000412107851 319225806 /nfs/dbraw/zinc/22/58/06/319225806.db2.gz RPAQXALQLHZSKY-MFKMUULPSA-N 1 2 334.294 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000412107851 319225807 /nfs/dbraw/zinc/22/58/07/319225807.db2.gz RPAQXALQLHZSKY-MFKMUULPSA-N 1 2 334.294 1.789 20 5 EDBDLO COc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413969779 319307656 /nfs/dbraw/zinc/30/76/56/319307656.db2.gz WEIVIFVAHOOOCO-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO Cn1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272494728 443339694 /nfs/dbraw/zinc/33/96/94/443339694.db2.gz FQFKRJSOFVYARZ-HNNXBMFYSA-N 1 2 326.360 1.941 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266942777 443297626 /nfs/dbraw/zinc/29/76/26/443297626.db2.gz QLVCIVDFIIPQSV-JTQLQIEISA-N 1 2 347.824 1.749 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266942777 443297629 /nfs/dbraw/zinc/29/76/29/443297629.db2.gz QLVCIVDFIIPQSV-JTQLQIEISA-N 1 2 347.824 1.749 20 5 EDBDLO CC(=O)N[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420624066 319630726 /nfs/dbraw/zinc/63/07/26/319630726.db2.gz WEMJFMWDQPNCAB-OAHLLOKOSA-N 1 2 348.403 1.142 20 5 EDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CCC2)CC1 ZINC000265011370 443508179 /nfs/dbraw/zinc/50/81/79/443508179.db2.gz UUHMTOXCXNZKFE-UHFFFAOYSA-N 1 2 329.360 1.781 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000272167705 443546084 /nfs/dbraw/zinc/54/60/84/443546084.db2.gz PBIOUYJNZBGGLW-UHFFFAOYSA-N 1 2 345.396 1.757 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000272167705 443546086 /nfs/dbraw/zinc/54/60/86/443546086.db2.gz PBIOUYJNZBGGLW-UHFFFAOYSA-N 1 2 345.396 1.757 20 5 EDBDLO Nc1[nH+]cnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000273143576 443549718 /nfs/dbraw/zinc/54/97/18/443549718.db2.gz UZFWFJOUZUVLSA-UHFFFAOYSA-N 1 2 334.767 1.947 20 5 EDBDLO Nc1nc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000273143576 443549722 /nfs/dbraw/zinc/54/97/22/443549722.db2.gz UZFWFJOUZUVLSA-UHFFFAOYSA-N 1 2 334.767 1.947 20 5 EDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000280117312 443666541 /nfs/dbraw/zinc/66/65/41/443666541.db2.gz UWKNDNMQPUOTAM-ZDUSSCGKSA-N 1 2 339.417 1.152 20 5 EDBDLO COC(=O)[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448975672 320168996 /nfs/dbraw/zinc/16/89/96/320168996.db2.gz IOCAOXNUCSGADT-NSHDSACASA-N 1 2 346.343 1.662 20 5 EDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000457138004 320320326 /nfs/dbraw/zinc/32/03/26/320320326.db2.gz WBNHLPCILLXATQ-NSHDSACASA-N 1 2 333.344 1.480 20 5 EDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000457138004 320320327 /nfs/dbraw/zinc/32/03/27/320320327.db2.gz WBNHLPCILLXATQ-NSHDSACASA-N 1 2 333.344 1.480 20 5 EDBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459788453 320349680 /nfs/dbraw/zinc/34/96/80/320349680.db2.gz LQUFWVAVWQXEAF-NSHDSACASA-N 1 2 338.389 1.453 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286304491 443686919 /nfs/dbraw/zinc/68/69/19/443686919.db2.gz DOGROXKQSXFZEE-QWHCGFSZSA-N 1 2 346.330 1.691 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286304491 443686920 /nfs/dbraw/zinc/68/69/20/443686920.db2.gz DOGROXKQSXFZEE-QWHCGFSZSA-N 1 2 346.330 1.691 20 5 EDBDLO Cn1c[nH+]cc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000519562272 320467331 /nfs/dbraw/zinc/46/73/31/320467331.db2.gz PHLOTQLGAJWNMH-UHFFFAOYSA-N 1 2 344.371 1.941 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000290973520 443724747 /nfs/dbraw/zinc/72/47/47/443724747.db2.gz QZMPECNCDPTILQ-UKRRQHHQSA-N 1 2 333.388 1.838 20 5 EDBDLO Cc1c(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000283886860 443755229 /nfs/dbraw/zinc/75/52/29/443755229.db2.gz CNISFKJWWRGJPZ-JKSUJKDBSA-N 1 2 333.388 1.377 20 5 EDBDLO Cc1c(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000283886860 443755232 /nfs/dbraw/zinc/75/52/32/443755232.db2.gz CNISFKJWWRGJPZ-JKSUJKDBSA-N 1 2 333.388 1.377 20 5 EDBDLO C[C@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276746420 443810559 /nfs/dbraw/zinc/81/05/59/443810559.db2.gz DNNQZJZUENUINL-JTQLQIEISA-N 1 2 348.338 1.731 20 5 EDBDLO C[C@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276746420 443810561 /nfs/dbraw/zinc/81/05/61/443810561.db2.gz DNNQZJZUENUINL-JTQLQIEISA-N 1 2 348.338 1.731 20 5 EDBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000285542263 444022462 /nfs/dbraw/zinc/02/24/62/444022462.db2.gz ICYZLTHCVFMTAB-ZDUSSCGKSA-N 1 2 327.406 1.451 20 5 EDBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000285542263 444022467 /nfs/dbraw/zinc/02/24/67/444022467.db2.gz ICYZLTHCVFMTAB-ZDUSSCGKSA-N 1 2 327.406 1.451 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000277717427 444029968 /nfs/dbraw/zinc/02/99/68/444029968.db2.gz IYNXIXZAGZHVEW-CABCVRRESA-N 1 2 342.417 1.527 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000277717427 444029970 /nfs/dbraw/zinc/02/99/70/444029970.db2.gz IYNXIXZAGZHVEW-CABCVRRESA-N 1 2 342.417 1.527 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277970677 444072564 /nfs/dbraw/zinc/07/25/64/444072564.db2.gz QCXYZCCWIVVBBX-UHFFFAOYSA-N 1 2 335.360 1.198 20 5 EDBDLO Cc1sc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285687612 444074032 /nfs/dbraw/zinc/07/40/32/444074032.db2.gz GSUFWXBIRBIVAL-JQWIXIFHSA-N 1 2 339.417 1.900 20 5 EDBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000285642095 444057637 /nfs/dbraw/zinc/05/76/37/444057637.db2.gz OMACYPAFKHQKOH-AWEZNQCLSA-N 1 2 327.406 1.451 20 5 EDBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000285642095 444057641 /nfs/dbraw/zinc/05/76/41/444057641.db2.gz OMACYPAFKHQKOH-AWEZNQCLSA-N 1 2 327.406 1.451 20 5 EDBDLO C[NH+](C)C1CC[NH+](CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000567902682 321267968 /nfs/dbraw/zinc/26/79/68/321267968.db2.gz WSHQBPSSHDMXPQ-UHFFFAOYSA-N 1 2 336.392 1.731 20 5 EDBDLO Cc1c[nH+]ccc1CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301821673 444192323 /nfs/dbraw/zinc/19/23/23/444192323.db2.gz GVKGHOAQEVJNBV-UHFFFAOYSA-N 1 2 336.373 1.600 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000302069671 444203156 /nfs/dbraw/zinc/20/31/56/444203156.db2.gz DUGSMAITRHTIFW-LBPRGKRZSA-N 1 2 336.392 1.429 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316027716 444308219 /nfs/dbraw/zinc/30/82/19/444308219.db2.gz CDNFOPBOJMSXQL-JOYOIKCWSA-N 1 2 331.166 1.142 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316027716 444308221 /nfs/dbraw/zinc/30/82/21/444308221.db2.gz CDNFOPBOJMSXQL-JOYOIKCWSA-N 1 2 331.166 1.142 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000319338707 444323832 /nfs/dbraw/zinc/32/38/32/444323832.db2.gz ODYZJRNQBUZJBJ-JTQLQIEISA-N 1 2 331.369 1.449 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000319338707 444323835 /nfs/dbraw/zinc/32/38/35/444323835.db2.gz ODYZJRNQBUZJBJ-JTQLQIEISA-N 1 2 331.369 1.449 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305756107 444278483 /nfs/dbraw/zinc/27/84/83/444278483.db2.gz AWNYCCHCJAFCFY-KWQFWETISA-N 1 2 335.282 1.777 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305756107 444278485 /nfs/dbraw/zinc/27/84/85/444278485.db2.gz AWNYCCHCJAFCFY-KWQFWETISA-N 1 2 335.282 1.777 20 5 EDBDLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305761029 444278829 /nfs/dbraw/zinc/27/88/29/444278829.db2.gz DTMBHIJLDNEBRY-VXGBXAGGSA-N 1 2 347.293 1.555 20 5 EDBDLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305761029 444278831 /nfs/dbraw/zinc/27/88/31/444278831.db2.gz DTMBHIJLDNEBRY-VXGBXAGGSA-N 1 2 347.293 1.555 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nnc3n1CCCCC3)CC2 ZINC000581752711 322216302 /nfs/dbraw/zinc/21/63/02/322216302.db2.gz OZPCGFLQSUHYMU-UHFFFAOYSA-N 1 2 328.376 1.866 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnc3n1CCCCC3)CC2 ZINC000581752711 322216303 /nfs/dbraw/zinc/21/63/03/322216303.db2.gz OZPCGFLQSUHYMU-UHFFFAOYSA-N 1 2 328.376 1.866 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000342151178 444535433 /nfs/dbraw/zinc/53/54/33/444535433.db2.gz KHIMQCBAUJEBSF-CABCVRRESA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000342151178 444535436 /nfs/dbraw/zinc/53/54/36/444535436.db2.gz KHIMQCBAUJEBSF-CABCVRRESA-N 1 2 348.403 1.247 20 5 EDBDLO CN1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1=O ZINC000619154039 450418102 /nfs/dbraw/zinc/41/81/02/450418102.db2.gz ZYWCPZKSJXRPSD-CYBMUJFWSA-N 1 2 334.376 1.070 20 5 EDBDLO COCCCOC1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337035896 444911527 /nfs/dbraw/zinc/91/15/27/444911527.db2.gz ITCIDQUMSSZSQV-UHFFFAOYSA-N 1 2 337.376 1.661 20 5 EDBDLO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000339016284 444987361 /nfs/dbraw/zinc/98/73/61/444987361.db2.gz ITLUWKXXMQCOGN-SNVBAGLBSA-N 1 2 345.359 1.502 20 5 EDBDLO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000339016284 444987365 /nfs/dbraw/zinc/98/73/65/444987365.db2.gz ITLUWKXXMQCOGN-SNVBAGLBSA-N 1 2 345.359 1.502 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCCn2cc[nH+]c2)CC1 ZINC000343254392 445163256 /nfs/dbraw/zinc/16/32/56/445163256.db2.gz VCOWKZHTJQBBBV-UHFFFAOYSA-N 1 2 349.416 1.701 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(NCc3cccc(-n4cc[nH+]c4)c3)nn21 ZINC000347870421 445252439 /nfs/dbraw/zinc/25/24/39/445252439.db2.gz DDTVDVSBVNZHKM-UHFFFAOYSA-N 1 2 335.327 2.435 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000351904850 445366674 /nfs/dbraw/zinc/36/66/74/445366674.db2.gz QGWCUTKYQXCYST-NEPJUHHUSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000351904850 445366678 /nfs/dbraw/zinc/36/66/78/445366678.db2.gz QGWCUTKYQXCYST-NEPJUHHUSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000348776969 445375535 /nfs/dbraw/zinc/37/55/35/445375535.db2.gz SPZYXDPZVHJYSH-KGLIPLIRSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000348776969 445375539 /nfs/dbraw/zinc/37/55/39/445375539.db2.gz SPZYXDPZVHJYSH-KGLIPLIRSA-N 1 2 348.403 1.247 20 5 EDBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000362756426 445534574 /nfs/dbraw/zinc/53/45/74/445534574.db2.gz NFLCEPVCAHEZNU-NSHDSACASA-N 1 2 339.417 1.767 20 5 EDBDLO CSc1cccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000362756426 445534577 /nfs/dbraw/zinc/53/45/77/445534577.db2.gz NFLCEPVCAHEZNU-NSHDSACASA-N 1 2 339.417 1.767 20 5 EDBDLO Cc1cc[nH+]cc1N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000359951000 445502230 /nfs/dbraw/zinc/50/22/30/445502230.db2.gz VZMVQOMSPYGDDW-UHFFFAOYSA-N 1 2 339.359 1.668 20 5 EDBDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349248985 445546590 /nfs/dbraw/zinc/54/65/90/445546590.db2.gz WGLRKCNAFLCFID-SNVBAGLBSA-N 1 2 325.346 1.707 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000353447995 445606221 /nfs/dbraw/zinc/60/62/21/445606221.db2.gz NECIZJANLWOBIA-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO Cn1cc[nH+]c1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353503794 445632677 /nfs/dbraw/zinc/63/26/77/445632677.db2.gz PSUOKGJZOVEYEI-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356165950 445658249 /nfs/dbraw/zinc/65/82/49/445658249.db2.gz IZTMSXKYPSRIEF-UHFFFAOYSA-N 1 2 340.355 1.391 20 5 EDBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356165950 445658253 /nfs/dbraw/zinc/65/82/53/445658253.db2.gz IZTMSXKYPSRIEF-UHFFFAOYSA-N 1 2 340.355 1.391 20 5 EDBDLO Cn1ccnc1[C@H](NCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000353574734 445662800 /nfs/dbraw/zinc/66/28/00/445662800.db2.gz JUIPBYYKGKGSAD-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000358761157 445761908 /nfs/dbraw/zinc/76/19/08/445761908.db2.gz FQELCTNVERJBAV-UHFFFAOYSA-N 1 2 328.332 1.697 20 5 EDBDLO CCc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491522 445828202 /nfs/dbraw/zinc/82/82/02/445828202.db2.gz XBXRYNJBNSCDML-CHWSQXEVSA-N 1 2 338.433 1.405 20 5 EDBDLO CCc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491522 445828207 /nfs/dbraw/zinc/82/82/07/445828207.db2.gz XBXRYNJBNSCDML-CHWSQXEVSA-N 1 2 338.433 1.405 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000363409999 445792683 /nfs/dbraw/zinc/79/26/83/445792683.db2.gz BMKPVILLDZFRFX-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000363409999 445792685 /nfs/dbraw/zinc/79/26/85/445792685.db2.gz BMKPVILLDZFRFX-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000358824940 445794875 /nfs/dbraw/zinc/79/48/75/445794875.db2.gz NYXYFSROQNBADG-SECBINFHSA-N 1 2 334.336 1.021 20 5 EDBDLO COc1cncc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000363417956 445796321 /nfs/dbraw/zinc/79/63/21/445796321.db2.gz LWRHBTYKCYSBSK-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)O1 ZINC000372978388 445956121 /nfs/dbraw/zinc/95/61/21/445956121.db2.gz VKIDMGPGGQYRMY-AWEZNQCLSA-N 1 2 336.304 1.577 20 5 EDBDLO O=C1NC[C@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)O1 ZINC000372978388 445956125 /nfs/dbraw/zinc/95/61/25/445956125.db2.gz VKIDMGPGGQYRMY-AWEZNQCLSA-N 1 2 336.304 1.577 20 5 EDBDLO [NH3+][C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cscn1 ZINC000582663984 325898334 /nfs/dbraw/zinc/89/83/34/325898334.db2.gz QMHGKJWIVGVTAV-TVQRCGJNSA-N 1 2 348.388 1.159 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]21 ZINC000356930844 446134449 /nfs/dbraw/zinc/13/44/49/446134449.db2.gz FLXDADPQHUHDRN-GJZGRUSLSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]21 ZINC000356930844 446134455 /nfs/dbraw/zinc/13/44/55/446134455.db2.gz FLXDADPQHUHDRN-GJZGRUSLSA-N 1 2 330.344 1.231 20 5 EDBDLO Cn1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C1CC1 ZINC000373232281 446109168 /nfs/dbraw/zinc/10/91/68/446109168.db2.gz UFWVCIXEBMLSDE-UHFFFAOYSA-N 1 2 331.380 1.634 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000365591338 446264936 /nfs/dbraw/zinc/26/49/36/446264936.db2.gz BQELTGHKFPWHLF-NSHDSACASA-N 1 2 336.373 1.393 20 5 EDBDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370453243 446285567 /nfs/dbraw/zinc/28/55/67/446285567.db2.gz RSOKTOYBUIMWOR-UHFFFAOYSA-N 1 2 331.369 1.201 20 5 EDBDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370453243 446285570 /nfs/dbraw/zinc/28/55/70/446285570.db2.gz RSOKTOYBUIMWOR-UHFFFAOYSA-N 1 2 331.369 1.201 20 5 EDBDLO O=C1CO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2N1 ZINC000366797362 446356939 /nfs/dbraw/zinc/35/69/39/446356939.db2.gz KDYRBFWGXFNGCD-CHWSQXEVSA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2N1 ZINC000366797362 446356944 /nfs/dbraw/zinc/35/69/44/446356944.db2.gz KDYRBFWGXFNGCD-CHWSQXEVSA-N 1 2 325.752 1.338 20 5 EDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374881238 446433080 /nfs/dbraw/zinc/43/30/80/446433080.db2.gz SHNCFGHEEUOHQS-NSHDSACASA-N 1 2 335.751 1.758 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000370946325 446535320 /nfs/dbraw/zinc/53/53/20/446535320.db2.gz DHXPPSRVDOBUDI-UHFFFAOYSA-N 1 2 330.344 1.829 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000411829819 446686142 /nfs/dbraw/zinc/68/61/42/446686142.db2.gz VMQQYNUPSDBZPY-JKSUJKDBSA-N 1 2 347.415 1.925 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000411829819 446686149 /nfs/dbraw/zinc/68/61/49/446686149.db2.gz VMQQYNUPSDBZPY-JKSUJKDBSA-N 1 2 347.415 1.925 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000411829163 446687014 /nfs/dbraw/zinc/68/70/14/446687014.db2.gz NBBFJWUTJDPDIK-WQVCFCJDSA-N 1 2 348.403 1.245 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000411829163 446687018 /nfs/dbraw/zinc/68/70/18/446687018.db2.gz NBBFJWUTJDPDIK-WQVCFCJDSA-N 1 2 348.403 1.245 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000411829163 446687029 /nfs/dbraw/zinc/68/70/29/446687029.db2.gz NBBFJWUTJDPDIK-WQVCFCJDSA-N 1 2 348.403 1.245 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000411829163 446687037 /nfs/dbraw/zinc/68/70/37/446687037.db2.gz NBBFJWUTJDPDIK-WQVCFCJDSA-N 1 2 348.403 1.245 20 5 EDBDLO CNC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000412052095 446815274 /nfs/dbraw/zinc/81/52/74/446815274.db2.gz DSDHDPBDQCGDMR-LLVKDONJSA-N 1 2 349.391 1.315 20 5 EDBDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000372473662 447072019 /nfs/dbraw/zinc/07/20/19/447072019.db2.gz QQPCLXFUZMORGD-GFCCVEGCSA-N 1 2 332.364 1.686 20 5 EDBDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000372473662 447072025 /nfs/dbraw/zinc/07/20/25/447072025.db2.gz QQPCLXFUZMORGD-GFCCVEGCSA-N 1 2 332.364 1.686 20 5 EDBDLO Cc1nc(C[N@H+]2CCCN(Cc3c([N+](=O)[O-])ncn3C)CC2)oc1C ZINC000375872936 447114027 /nfs/dbraw/zinc/11/40/27/447114027.db2.gz CBLKZKCTYGJUSZ-UHFFFAOYSA-N 1 2 348.407 1.641 20 5 EDBDLO Cc1nc(C[N@@H+]2CCCN(Cc3c([N+](=O)[O-])ncn3C)CC2)oc1C ZINC000375872936 447114033 /nfs/dbraw/zinc/11/40/33/447114033.db2.gz CBLKZKCTYGJUSZ-UHFFFAOYSA-N 1 2 348.407 1.641 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425500211 447195533 /nfs/dbraw/zinc/19/55/33/447195533.db2.gz LITLJFKFKMBOLH-CHWSQXEVSA-N 1 2 344.375 1.850 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425500211 447195537 /nfs/dbraw/zinc/19/55/37/447195537.db2.gz LITLJFKFKMBOLH-CHWSQXEVSA-N 1 2 344.375 1.850 20 5 EDBDLO Cc1cc(NC[C@@H]2CNC(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413487127 447199851 /nfs/dbraw/zinc/19/98/51/447199851.db2.gz ZHUGSDOWXGNPFZ-LLVKDONJSA-N 1 2 327.344 1.330 20 5 EDBDLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1C ZINC000372784956 447284715 /nfs/dbraw/zinc/28/47/15/447284715.db2.gz OPWCPNPFLRHNAA-AWEZNQCLSA-N 1 2 349.387 1.459 20 5 EDBDLO C[C@H](C[S@@](C)=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450558295 447525333 /nfs/dbraw/zinc/52/53/33/447525333.db2.gz QCKGYWSGDRATQK-DJNLSKAYSA-N 1 2 336.373 1.277 20 5 EDBDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450794550 447579275 /nfs/dbraw/zinc/57/92/75/447579275.db2.gz ROAKQIKWEVJSRM-UONOGXRCSA-N 1 2 330.344 1.670 20 5 EDBDLO CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450794551 447579574 /nfs/dbraw/zinc/57/95/74/447579574.db2.gz ROAKQIKWEVJSRM-ZIAGYGMSSA-N 1 2 330.344 1.670 20 5 EDBDLO CO[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000450823529 447589797 /nfs/dbraw/zinc/58/97/97/447589797.db2.gz VLRILCABLFYPFO-ZIAGYGMSSA-N 1 2 330.344 1.556 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000427739684 447641089 /nfs/dbraw/zinc/64/10/89/447641089.db2.gz GYMQBPUZOSHYCV-ZDUSSCGKSA-N 1 2 346.387 1.917 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000427739684 447641093 /nfs/dbraw/zinc/64/10/93/447641093.db2.gz GYMQBPUZOSHYCV-ZDUSSCGKSA-N 1 2 346.387 1.917 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000408080092 447627241 /nfs/dbraw/zinc/62/72/41/447627241.db2.gz BEAAHCCJPZGTCP-NXEZZACHSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000408080092 447627248 /nfs/dbraw/zinc/62/72/48/447627248.db2.gz BEAAHCCJPZGTCP-NXEZZACHSA-N 1 2 331.369 1.447 20 5 EDBDLO CC(C)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(N)=O ZINC000451934707 447790937 /nfs/dbraw/zinc/79/09/37/447790937.db2.gz VRPUEKOZCYQXBS-MRXNPFEDSA-N 1 2 345.359 1.410 20 5 EDBDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577036583 448196092 /nfs/dbraw/zinc/19/60/92/448196092.db2.gz PQCSXGIYIRNXNT-CYBMUJFWSA-N 1 2 335.408 1.367 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000533061002 448350764 /nfs/dbraw/zinc/35/07/64/448350764.db2.gz PKMSHRFZNLFYAA-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000533061002 448350770 /nfs/dbraw/zinc/35/07/70/448350770.db2.gz PKMSHRFZNLFYAA-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO COC(=O)c1cccc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000592158677 448717175 /nfs/dbraw/zinc/71/71/75/448717175.db2.gz NACVUUHCAJQOJU-UHFFFAOYSA-N 1 2 330.344 1.636 20 5 EDBDLO COC(=O)c1cccc2c1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000592158677 448717181 /nfs/dbraw/zinc/71/71/81/448717181.db2.gz NACVUUHCAJQOJU-UHFFFAOYSA-N 1 2 330.344 1.636 20 5 EDBDLO C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1n1cc[nH+]c1 ZINC000587998021 448852832 /nfs/dbraw/zinc/85/28/32/448852832.db2.gz CGTXEYZDGALRRP-ABAIWWIYSA-N 1 2 331.376 1.953 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000548023326 448970162 /nfs/dbraw/zinc/97/01/62/448970162.db2.gz PPDCGHHLXHFMOE-OAHLLOKOSA-N 1 2 348.403 1.481 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000548023326 448970164 /nfs/dbraw/zinc/97/01/64/448970164.db2.gz PPDCGHHLXHFMOE-OAHLLOKOSA-N 1 2 348.403 1.481 20 5 EDBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593566562 449075742 /nfs/dbraw/zinc/07/57/42/449075742.db2.gz KJBKNXBRVAEFLE-CQSZACIVSA-N 1 2 348.384 1.455 20 5 EDBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593566562 449075746 /nfs/dbraw/zinc/07/57/46/449075746.db2.gz KJBKNXBRVAEFLE-CQSZACIVSA-N 1 2 348.384 1.455 20 5 EDBDLO NS(=O)(=O)c1c(NCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000603929563 449161933 /nfs/dbraw/zinc/16/19/33/449161933.db2.gz VWUKQOODEVQOBP-UHFFFAOYSA-N 1 2 347.356 1.502 20 5 EDBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1COCCO1 ZINC000595738693 449140174 /nfs/dbraw/zinc/14/01/74/449140174.db2.gz XMJIQNGJMWWISY-CYBMUJFWSA-N 1 2 334.332 1.492 20 5 EDBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1COCCO1 ZINC000595738693 449140178 /nfs/dbraw/zinc/14/01/78/449140178.db2.gz XMJIQNGJMWWISY-CYBMUJFWSA-N 1 2 334.332 1.492 20 5 EDBDLO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401547 449148506 /nfs/dbraw/zinc/14/85/06/449148506.db2.gz MYQGYSYGFRJDDC-KGLIPLIRSA-N 1 2 335.360 1.236 20 5 EDBDLO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401547 449148508 /nfs/dbraw/zinc/14/85/08/449148508.db2.gz MYQGYSYGFRJDDC-KGLIPLIRSA-N 1 2 335.360 1.236 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000590600402 449213989 /nfs/dbraw/zinc/21/39/89/449213989.db2.gz VRQRCTGUKIXIBC-NSHDSACASA-N 1 2 345.359 1.643 20 5 EDBDLO Cc1sc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597997516 449182112 /nfs/dbraw/zinc/18/21/12/449182112.db2.gz MMBPWEHBCDAJAV-NXEZZACHSA-N 1 2 327.406 1.804 20 5 EDBDLO Cc1sc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597997516 449182117 /nfs/dbraw/zinc/18/21/17/449182117.db2.gz MMBPWEHBCDAJAV-NXEZZACHSA-N 1 2 327.406 1.804 20 5 EDBDLO COc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000611140010 449183964 /nfs/dbraw/zinc/18/39/64/449183964.db2.gz HDUZTGCGYBFUHE-UHFFFAOYSA-N 1 2 330.344 1.729 20 5 EDBDLO COc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000611140010 449183968 /nfs/dbraw/zinc/18/39/68/449183968.db2.gz HDUZTGCGYBFUHE-UHFFFAOYSA-N 1 2 330.344 1.729 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597999404 449185061 /nfs/dbraw/zinc/18/50/61/449185061.db2.gz WIRMXKOJUMPJFQ-RYUDHWBXSA-N 1 2 339.367 1.502 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597999404 449185065 /nfs/dbraw/zinc/18/50/65/449185065.db2.gz WIRMXKOJUMPJFQ-RYUDHWBXSA-N 1 2 339.367 1.502 20 5 EDBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000604432243 449230453 /nfs/dbraw/zinc/23/04/53/449230453.db2.gz OGHGXHLNODKMBQ-SECBINFHSA-N 1 2 333.797 1.621 20 5 EDBDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000604432243 449230456 /nfs/dbraw/zinc/23/04/56/449230456.db2.gz OGHGXHLNODKMBQ-SECBINFHSA-N 1 2 333.797 1.621 20 5 EDBDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000611274549 449245605 /nfs/dbraw/zinc/24/56/05/449245605.db2.gz BCKKXKFGNLXSNR-UHFFFAOYSA-N 1 2 330.344 1.435 20 5 EDBDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000611274549 449245610 /nfs/dbraw/zinc/24/56/10/449245610.db2.gz BCKKXKFGNLXSNR-UHFFFAOYSA-N 1 2 330.344 1.435 20 5 EDBDLO C[C@@]1(C(F)F)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595916181 449251469 /nfs/dbraw/zinc/25/14/69/449251469.db2.gz KFDWCQMZZDNDSC-NHYWBVRUSA-N 1 2 346.330 1.691 20 5 EDBDLO C[C@@]1(C(F)F)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000595916181 449251475 /nfs/dbraw/zinc/25/14/75/449251475.db2.gz KFDWCQMZZDNDSC-NHYWBVRUSA-N 1 2 346.330 1.691 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H](CO)CCF ZINC000593509361 449316437 /nfs/dbraw/zinc/31/64/37/449316437.db2.gz NNPGWEDITKIYFX-CYBMUJFWSA-N 1 2 327.356 1.559 20 5 EDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000611408561 449282726 /nfs/dbraw/zinc/28/27/26/449282726.db2.gz WYHYHMWQMQLRPI-IYBDPMFKSA-N 1 2 346.431 1.580 20 5 EDBDLO O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598297536 449342359 /nfs/dbraw/zinc/34/23/59/449342359.db2.gz VPWHIKNDDKXMBA-CABCVRRESA-N 1 2 342.355 1.814 20 5 EDBDLO Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000611582165 449347451 /nfs/dbraw/zinc/34/74/51/449347451.db2.gz CBIZXALORVDDLA-UHFFFAOYSA-N 1 2 330.348 1.552 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000593558696 449349082 /nfs/dbraw/zinc/34/90/82/449349082.db2.gz FOWLZFZJKWUOJM-NSHDSACASA-N 1 2 337.361 1.629 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H](CCF)C1 ZINC000600491683 449408884 /nfs/dbraw/zinc/40/88/84/449408884.db2.gz 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CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000617383131 449585771 /nfs/dbraw/zinc/58/57/71/449585771.db2.gz MTLCLCYOXZHBKQ-CYBMUJFWSA-N 1 2 329.360 1.728 20 5 EDBDLO COC1CC[NH+](Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000600970968 449624962 /nfs/dbraw/zinc/62/49/62/449624962.db2.gz RSCLVSGLMRBJAR-UHFFFAOYSA-N 1 2 331.376 1.845 20 5 EDBDLO CC(C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000600981649 449631300 /nfs/dbraw/zinc/63/13/00/449631300.db2.gz PEOUMHJRRRKCIG-CQSZACIVSA-N 1 2 339.367 1.821 20 5 EDBDLO NC(=O)c1coc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000614582985 449696916 /nfs/dbraw/zinc/69/69/16/449696916.db2.gz YXIDKDGIVHQHPT-UHFFFAOYSA-N 1 2 333.300 1.348 20 5 EDBDLO COC(=O)[C@]1(OC)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599139547 449759840 /nfs/dbraw/zinc/75/98/40/449759840.db2.gz MZAFTQALZJZVMI-INIZCTEOSA-N 1 2 331.328 1.911 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000599161081 449770372 /nfs/dbraw/zinc/77/03/72/449770372.db2.gz RTEYCPXZKSHHRY-ZDUSSCGKSA-N 1 2 334.376 1.230 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000599161081 449770380 /nfs/dbraw/zinc/77/03/80/449770380.db2.gz RTEYCPXZKSHHRY-ZDUSSCGKSA-N 1 2 334.376 1.230 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000612630879 449808850 /nfs/dbraw/zinc/80/88/50/449808850.db2.gz GOHBMXJXODMCGE-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000612630879 449808854 /nfs/dbraw/zinc/80/88/54/449808854.db2.gz GOHBMXJXODMCGE-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602792575 449813230 /nfs/dbraw/zinc/81/32/30/449813230.db2.gz CECNZNVAKZWFRG-OAHLLOKOSA-N 1 2 332.360 1.946 20 5 EDBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602792575 449813236 /nfs/dbraw/zinc/81/32/36/449813236.db2.gz CECNZNVAKZWFRG-OAHLLOKOSA-N 1 2 332.360 1.946 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601303976 449815159 /nfs/dbraw/zinc/81/51/59/449815159.db2.gz MHWCSEZQLSLHOA-NSHDSACASA-N 1 2 345.446 1.824 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601303976 449815162 /nfs/dbraw/zinc/81/51/62/449815162.db2.gz MHWCSEZQLSLHOA-NSHDSACASA-N 1 2 345.446 1.824 20 5 EDBDLO Cc1[nH]c(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000594944238 449816729 /nfs/dbraw/zinc/81/67/29/449816729.db2.gz RWLQUXPKQKMBGD-UHFFFAOYSA-N 1 2 338.389 1.498 20 5 EDBDLO Cc1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000594944238 449816736 /nfs/dbraw/zinc/81/67/36/449816736.db2.gz RWLQUXPKQKMBGD-UHFFFAOYSA-N 1 2 338.389 1.498 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])s1 ZINC000601351970 449864795 /nfs/dbraw/zinc/86/47/95/449864795.db2.gz QZARBMBJRZGXMC-UHFFFAOYSA-N 1 2 328.375 1.366 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601422302 449940140 /nfs/dbraw/zinc/94/01/40/449940140.db2.gz UFMYIWPYIWLRFF-DTORHVGOSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601422302 449940145 /nfs/dbraw/zinc/94/01/45/449940145.db2.gz UFMYIWPYIWLRFF-DTORHVGOSA-N 1 2 333.435 1.678 20 5 EDBDLO C[C@H]1CN(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000595286177 450001342 /nfs/dbraw/zinc/00/13/42/450001342.db2.gz DOPFRHXMLZHWPR-GJZGRUSLSA-N 1 2 349.435 1.221 20 5 EDBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597446912 450028382 /nfs/dbraw/zinc/02/83/82/450028382.db2.gz TWIMANJLFPOIOX-MRVPVSSYSA-N 1 2 326.316 1.938 20 5 EDBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597446912 450028387 /nfs/dbraw/zinc/02/83/87/450028387.db2.gz TWIMANJLFPOIOX-MRVPVSSYSA-N 1 2 326.316 1.938 20 5 EDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601612327 450112187 /nfs/dbraw/zinc/11/21/87/450112187.db2.gz OSMWODDTHTUHLV-ZDUSSCGKSA-N 1 2 326.356 1.954 20 5 EDBDLO O=C(NC[C@H]1CN2CC[N@@H+]1CCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597627333 450155196 /nfs/dbraw/zinc/15/51/96/450155196.db2.gz YOIJRESHZDEBIA-LBPRGKRZSA-N 1 2 343.387 1.196 20 5 EDBDLO O=C(NC[C@H]1CN2CC[N@H+]1CCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597627333 450155198 /nfs/dbraw/zinc/15/51/98/450155198.db2.gz YOIJRESHZDEBIA-LBPRGKRZSA-N 1 2 343.387 1.196 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])O1 ZINC000595478155 450171203 /nfs/dbraw/zinc/17/12/03/450171203.db2.gz YFNXLLZNFNBWQP-GMNPVEAJSA-N 1 2 339.348 1.575 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2onc(C)c2[N+](=O)[O-])O1 ZINC000595478155 450171208 /nfs/dbraw/zinc/17/12/08/450171208.db2.gz YFNXLLZNFNBWQP-GMNPVEAJSA-N 1 2 339.348 1.575 20 5 EDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709698 450212593 /nfs/dbraw/zinc/21/25/93/450212593.db2.gz LWRPVASUSLZILM-LBPRGKRZSA-N 1 2 325.390 1.593 20 5 EDBDLO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000597709894 450213555 /nfs/dbraw/zinc/21/35/55/450213555.db2.gz OBJKLOXXRTVMMF-CQSZACIVSA-N 1 2 333.388 1.840 20 5 EDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000615759339 450224945 /nfs/dbraw/zinc/22/49/45/450224945.db2.gz OMOFBERPRMMZGD-LBPRGKRZSA-N 1 2 330.344 1.549 20 5 EDBDLO Cc1noc(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595494781 450184199 /nfs/dbraw/zinc/18/41/99/450184199.db2.gz PKGPPNOQQALQQP-CQSZACIVSA-N 1 2 335.364 1.618 20 5 EDBDLO COC1(CO)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000618551314 450239995 /nfs/dbraw/zinc/23/99/95/450239995.db2.gz UMPPFNOVNBXPPN-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](C)CCO1 ZINC000610900709 450374197 /nfs/dbraw/zinc/37/41/97/450374197.db2.gz HTLMVXRKJUNFED-ZUZCIYMTSA-N 1 2 333.344 1.790 20 5 EDBDLO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900709 450374204 /nfs/dbraw/zinc/37/42/04/450374204.db2.gz HTLMVXRKJUNFED-ZUZCIYMTSA-N 1 2 333.344 1.790 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000293226897 518202140 /nfs/dbraw/zinc/20/21/40/518202140.db2.gz SAFDWHOVRDSWDT-AWEZNQCLSA-N 1 2 333.388 1.922 20 5 EDBDLO O=C(C[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1)N1CCCC1 ZINC000190314070 534531499 /nfs/dbraw/zinc/53/14/99/534531499.db2.gz BEUQUKWYLAZZKY-UHFFFAOYSA-N 1 2 339.421 1.186 20 5 EDBDLO O=C(C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1)N1CCCC1 ZINC000190314070 534531502 /nfs/dbraw/zinc/53/15/02/534531502.db2.gz BEUQUKWYLAZZKY-UHFFFAOYSA-N 1 2 339.421 1.186 20 5 EDBDLO COCCOCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272476010 536516341 /nfs/dbraw/zinc/51/63/41/536516341.db2.gz BGTLOCPMFOQEII-OAHLLOKOSA-N 1 2 334.376 1.670 20 5 EDBDLO CCC[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000270925924 535434466 /nfs/dbraw/zinc/43/44/66/535434466.db2.gz GABKLMYNCLRUIU-GFCCVEGCSA-N 1 2 339.396 1.199 20 5 EDBDLO CCC[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000270925924 535434467 /nfs/dbraw/zinc/43/44/67/535434467.db2.gz GABKLMYNCLRUIU-GFCCVEGCSA-N 1 2 339.396 1.199 20 5 EDBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741145369 579398871 /nfs/dbraw/zinc/39/88/71/579398871.db2.gz TVHMZTJJOPSJPK-SMDDNHRTSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741145369 579398872 /nfs/dbraw/zinc/39/88/72/579398872.db2.gz TVHMZTJJOPSJPK-SMDDNHRTSA-N 1 2 335.360 1.949 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000742178652 579438076 /nfs/dbraw/zinc/43/80/76/579438076.db2.gz LIPHHMFWQWNLRM-UHFFFAOYSA-N 1 2 345.359 1.127 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)c1 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LEBHKMLTVRQFBA-UHFFFAOYSA-N 1 2 341.375 1.298 20 5 EDBDLO CC1(C)C[N@H+](CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 ZINC000736214690 578965490 /nfs/dbraw/zinc/96/54/90/578965490.db2.gz UBDHCFBQVCNOJR-UHFFFAOYSA-N 1 2 347.379 1.298 20 5 EDBDLO CC1(C)C[N@@H+](CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 ZINC000736214690 578965491 /nfs/dbraw/zinc/96/54/91/578965491.db2.gz UBDHCFBQVCNOJR-UHFFFAOYSA-N 1 2 347.379 1.298 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c1 ZINC000761483944 580058050 /nfs/dbraw/zinc/05/80/50/580058050.db2.gz UXVMVUZMMBKHTR-UHFFFAOYSA-N 1 2 338.287 1.470 20 5 EDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000752027628 579834324 /nfs/dbraw/zinc/83/43/24/579834324.db2.gz GMIZNHGBFHHOHE-UHFFFAOYSA-N 1 2 333.797 1.541 20 5 EDBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000754785044 579912093 /nfs/dbraw/zinc/91/20/93/579912093.db2.gz LAHKPTBOUGLHHI-LLVKDONJSA-N 1 2 325.340 1.653 20 5 EDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000755955004 579939565 /nfs/dbraw/zinc/93/95/65/579939565.db2.gz GSZUGMMUZMMGCY-JOCHJYFZSA-N 1 2 345.852 1.744 20 5 EDBDLO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000762409179 580073874 /nfs/dbraw/zinc/07/38/74/580073874.db2.gz CPFJIESHBBLRNP-UHFFFAOYSA-N 1 2 330.260 1.877 20 5 EDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCCn1cc[nH+]c1 ZINC000763287976 580096944 /nfs/dbraw/zinc/09/69/44/580096944.db2.gz MBMFEHGXBCUZPT-UHFFFAOYSA-N 1 2 332.316 1.155 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000768769152 580219807 /nfs/dbraw/zinc/21/98/07/580219807.db2.gz NJBMNERESVTDOU-JRKPZEMJSA-N 1 2 327.768 1.888 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000768769152 580219808 /nfs/dbraw/zinc/21/98/08/580219808.db2.gz NJBMNERESVTDOU-JRKPZEMJSA-N 1 2 327.768 1.888 20 5 EDBDLO Cn1cc(C[N@@H+]2CCCNC(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000769109566 580228740 /nfs/dbraw/zinc/22/87/40/580228740.db2.gz RQZRAYMGEXLHJW-UHFFFAOYSA-N 1 2 329.360 1.317 20 5 EDBDLO Cn1cc(C[N@H+]2CCCNC(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000769109566 580228741 /nfs/dbraw/zinc/22/87/41/580228741.db2.gz RQZRAYMGEXLHJW-UHFFFAOYSA-N 1 2 329.360 1.317 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000784917436 580631843 /nfs/dbraw/zinc/63/18/43/580631843.db2.gz DMGXCAMBNBUESA-NSHDSACASA-N 1 2 333.344 1.954 20 5 EDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000793254256 580839718 /nfs/dbraw/zinc/83/97/18/580839718.db2.gz BXMMWLCHLBYQTO-UHFFFAOYSA-N 1 2 341.327 1.914 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC2(CC1)OCCO2 ZINC000794617464 580899857 /nfs/dbraw/zinc/89/98/57/580899857.db2.gz SYCAGARKQXRSNN-UHFFFAOYSA-N 1 2 335.316 1.299 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794623127 580900073 /nfs/dbraw/zinc/90/00/73/580900073.db2.gz ILISRZLVKCAMDG-GFCCVEGCSA-N 1 2 348.359 1.308 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794623127 580900074 /nfs/dbraw/zinc/90/00/74/580900074.db2.gz ILISRZLVKCAMDG-GFCCVEGCSA-N 1 2 348.359 1.308 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970642 580909404 /nfs/dbraw/zinc/90/94/04/580909404.db2.gz GJVZIRBKMJTCON-OLRMPSLUSA-N 1 2 333.344 1.273 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970642 580909405 /nfs/dbraw/zinc/90/94/05/580909405.db2.gz GJVZIRBKMJTCON-OLRMPSLUSA-N 1 2 333.344 1.273 20 5 EDBDLO CC(C)N1C(=O)C(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795643228 580932510 /nfs/dbraw/zinc/93/25/10/580932510.db2.gz ANRMAYPPIUUQDV-UHFFFAOYSA-N 1 2 348.359 1.226 20 5 EDBDLO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795643228 580932511 /nfs/dbraw/zinc/93/25/11/580932511.db2.gz ANRMAYPPIUUQDV-UHFFFAOYSA-N 1 2 348.359 1.226 20 5 EDBDLO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000796431288 580953760 /nfs/dbraw/zinc/95/37/60/580953760.db2.gz NBXJQKKZQYYVRT-CQSZACIVSA-N 1 2 349.387 1.674 20 5 EDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799294405 581024176 /nfs/dbraw/zinc/02/41/76/581024176.db2.gz CVOHMKRTQABWMU-QGZVFWFLSA-N 1 2 346.362 1.985 20 5 EDBDLO C[C@@H]1C[N@H+](CCOC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CCO1 ZINC000800190142 581046955 /nfs/dbraw/zinc/04/69/55/581046955.db2.gz HMLUSBZVXIVOLD-LLVKDONJSA-N 1 2 333.344 1.954 20 5 EDBDLO C[C@@H]1C[N@@H+](CCOC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CCO1 ZINC000800190142 581046956 /nfs/dbraw/zinc/04/69/56/581046956.db2.gz HMLUSBZVXIVOLD-LLVKDONJSA-N 1 2 333.344 1.954 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000895247833 591680579 /nfs/dbraw/zinc/68/05/79/591680579.db2.gz WZWBACWHTGUWNP-IAQYHMDHSA-N 1 2 336.392 1.428 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000895247833 591680582 /nfs/dbraw/zinc/68/05/82/591680582.db2.gz WZWBACWHTGUWNP-IAQYHMDHSA-N 1 2 336.392 1.428 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CS(=O)(=O)C2)C1 ZINC000895428916 591753627 /nfs/dbraw/zinc/75/36/27/591753627.db2.gz SFNANJSVKUINAD-LFYBBSHMSA-N 1 2 336.413 1.975 20 5 EDBDLO CCn1c[nH+]c2c1CCN(Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000902551471 592015461 /nfs/dbraw/zinc/01/54/61/592015461.db2.gz SWZUOUJLECMULK-UHFFFAOYSA-N 1 2 343.343 1.735 20 5 EDBDLO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000902635696 592033091 /nfs/dbraw/zinc/03/30/91/592033091.db2.gz BDWWJLPKXFNKMU-HZPDHXFCSA-N 1 2 346.387 1.922 20 5 EDBDLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000902635696 592033093 /nfs/dbraw/zinc/03/30/93/592033093.db2.gz BDWWJLPKXFNKMU-HZPDHXFCSA-N 1 2 346.387 1.922 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903210046 592138919 /nfs/dbraw/zinc/13/89/19/592138919.db2.gz HWZKKPGGDAHVTP-NSHDSACASA-N 1 2 341.389 1.072 20 5 EDBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000802236872 593237229 /nfs/dbraw/zinc/23/72/29/593237229.db2.gz TXWAJBTZBNIQQQ-JTQLQIEISA-N 1 2 340.307 1.567 20 5 EDBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000802236872 593237230 /nfs/dbraw/zinc/23/72/30/593237230.db2.gz TXWAJBTZBNIQQQ-JTQLQIEISA-N 1 2 340.307 1.567 20 5 EDBDLO C[C@H]1CN(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C(=O)[C@@H]1C ZINC000839963242 593244348 /nfs/dbraw/zinc/24/43/48/593244348.db2.gz FONWDJOEFHFKSM-UONOGXRCSA-N 1 2 332.404 1.789 20 5 EDBDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000809546817 593344787 /nfs/dbraw/zinc/34/47/87/593344787.db2.gz YGEHOSOBGOMGKF-NSHDSACASA-N 1 2 349.416 1.822 20 5 EDBDLO C[S@@](=O)CC[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000814362853 593583137 /nfs/dbraw/zinc/58/31/37/593583137.db2.gz KUOZVLBAPMTROZ-OAQYLSRUSA-N 1 2 331.825 1.749 20 5 EDBDLO Cc1ccc(CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)cc1[N+](=O)[O-] ZINC000825641046 594210113 /nfs/dbraw/zinc/21/01/13/594210113.db2.gz OWSSQTAPVWGEOH-HNNXBMFYSA-N 1 2 331.376 1.556 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826500708 594503724 /nfs/dbraw/zinc/50/37/24/594503724.db2.gz JBKSMTUEJXDUDN-UHFFFAOYSA-N 1 2 337.343 1.728 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826500708 594503726 /nfs/dbraw/zinc/50/37/26/594503726.db2.gz JBKSMTUEJXDUDN-UHFFFAOYSA-N 1 2 337.343 1.728 20 5 EDBDLO C[NH+]1CCN(C2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 ZINC000827435077 594671786 /nfs/dbraw/zinc/67/17/86/594671786.db2.gz AGEWRKWHSKQISG-UHFFFAOYSA-N 1 2 326.441 1.060 20 5 EDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000831738611 594697774 /nfs/dbraw/zinc/69/77/74/594697774.db2.gz MOMIDXXBOXZMBH-SECBINFHSA-N 1 2 326.309 1.354 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N[C@H]2CCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000833271347 594817573 /nfs/dbraw/zinc/81/75/73/594817573.db2.gz HBNYJLDBTJZYHD-NSHDSACASA-N 1 2 333.323 1.871 20 5 EDBDLO COCCCC[N@H+](C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000841691976 594938190 /nfs/dbraw/zinc/93/81/90/594938190.db2.gz NYADQZNAQIGANK-UHFFFAOYSA-N 1 2 336.348 1.727 20 5 EDBDLO COCCCC[N@@H+](C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000841691976 594938193 /nfs/dbraw/zinc/93/81/93/594938193.db2.gz NYADQZNAQIGANK-UHFFFAOYSA-N 1 2 336.348 1.727 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000106028562 595055382 /nfs/dbraw/zinc/05/53/82/595055382.db2.gz SLLCVNGFZDPDPC-UHFFFAOYSA-N 1 2 347.350 1.425 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000843765513 595181353 /nfs/dbraw/zinc/18/13/53/595181353.db2.gz ILZRDGRKNYAOBO-SNVBAGLBSA-N 1 2 325.340 1.493 20 5 EDBDLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000834644969 595183088 /nfs/dbraw/zinc/18/30/88/595183088.db2.gz WAGMRFOTNCWFQJ-HZPDHXFCSA-N 1 2 340.383 1.870 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000843788602 595186546 /nfs/dbraw/zinc/18/65/46/595186546.db2.gz MKAWBJFJMIRUBA-JTQLQIEISA-N 1 2 325.340 1.493 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000843788602 595186548 /nfs/dbraw/zinc/18/65/48/595186548.db2.gz MKAWBJFJMIRUBA-JTQLQIEISA-N 1 2 325.340 1.493 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000843792223 595187652 /nfs/dbraw/zinc/18/76/52/595187652.db2.gz YTIBPHOSKNPVGU-RYUDHWBXSA-N 1 2 339.367 1.881 20 5 EDBDLO COC(=O)N(C)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000850548020 595533229 /nfs/dbraw/zinc/53/32/29/595533229.db2.gz MLORQKPLEVQNNH-AWEZNQCLSA-N 1 2 347.375 1.706 20 5 EDBDLO Cc1c[nH+]c2c(c1)N(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CCN2 ZINC000858001206 595683875 /nfs/dbraw/zinc/68/38/75/595683875.db2.gz UIGWKRIUDDMFLH-AWEZNQCLSA-N 1 2 328.328 1.790 20 5 EDBDLO Cc1cc(NCCOC(=O)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000853825280 595893117 /nfs/dbraw/zinc/89/31/17/595893117.db2.gz HVASNDJLKOMATR-UHFFFAOYSA-N 1 2 345.359 1.892 20 5 EDBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763437 596093780 /nfs/dbraw/zinc/09/37/80/596093780.db2.gz QVKYYNCGVJRWLB-UHFFFAOYSA-N 1 2 347.306 1.614 20 5 EDBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763437 596093784 /nfs/dbraw/zinc/09/37/84/596093784.db2.gz QVKYYNCGVJRWLB-UHFFFAOYSA-N 1 2 347.306 1.614 20 5 EDBDLO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000865419074 596569097 /nfs/dbraw/zinc/56/90/97/596569097.db2.gz NNAUIXVWINNWTD-UHFFFAOYSA-N 1 2 346.362 1.943 20 5 EDBDLO C[C@H](O)c1ccc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000865865863 596704979 /nfs/dbraw/zinc/70/49/79/596704979.db2.gz BNGLAZVRCIXEBX-LBPRGKRZSA-N 1 2 329.360 1.765 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000872771863 597062091 /nfs/dbraw/zinc/06/20/91/597062091.db2.gz MCFIXOHYJRXJGN-CYBMUJFWSA-N 1 2 336.392 1.477 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000872771863 597062095 /nfs/dbraw/zinc/06/20/95/597062095.db2.gz MCFIXOHYJRXJGN-CYBMUJFWSA-N 1 2 336.392 1.477 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879928246 597768823 /nfs/dbraw/zinc/76/88/23/597768823.db2.gz ALYICTMPTPHPGN-OLZOCXBDSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879928246 597768825 /nfs/dbraw/zinc/76/88/25/597768825.db2.gz ALYICTMPTPHPGN-OLZOCXBDSA-N 1 2 340.401 1.340 20 5 EDBDLO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cn[nH]n1 ZINC001003231434 710153482 /nfs/dbraw/zinc/15/34/82/710153482.db2.gz NPNUAWFYKKLKLH-UHFFFAOYSA-N 1 2 330.348 1.107 20 5 EDBDLO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cnn[nH]1 ZINC001003231434 710153484 /nfs/dbraw/zinc/15/34/84/710153484.db2.gz 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O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000372855910 447318526 /nfs/dbraw/zinc/31/85/26/447318526.db2.gz KPDCLDKMGDSOGC-FZMZJTMJSA-N 1 2 338.314 1.877 20 5 EDBDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c[nH]1 ZINC000295997114 303288365 /nfs/dbraw/zinc/28/83/65/303288365.db2.gz LIQUVHBXQJSLFB-UHFFFAOYSA-N 1 2 345.359 1.427 20 5 EDBDLO Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000301644227 303687244 /nfs/dbraw/zinc/68/72/44/303687244.db2.gz NDNLYCNHKHTVLD-OAHLLOKOSA-N 1 2 338.433 1.918 20 5 EDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000433737733 305113100 /nfs/dbraw/zinc/11/31/00/305113100.db2.gz ZINMSVVREVGNPW-UHFFFAOYSA-N 1 2 339.779 1.843 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000436888130 305168957 /nfs/dbraw/zinc/16/89/57/305168957.db2.gz QHOHMNFJUJEBTA-AWEZNQCLSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]CC1(F)F ZINC000449648368 305315665 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ZINC000026487152 441378743 /nfs/dbraw/zinc/37/87/43/441378743.db2.gz MUQXXXZBOOPHMT-CYBMUJFWSA-N 1 2 335.408 1.273 20 5 EDBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027567341 441407697 /nfs/dbraw/zinc/40/76/97/441407697.db2.gz AZCUHCZTIWLEOH-HNNXBMFYSA-N 1 2 346.387 1.037 20 5 EDBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027567341 441407700 /nfs/dbraw/zinc/40/77/00/441407700.db2.gz AZCUHCZTIWLEOH-HNNXBMFYSA-N 1 2 346.387 1.037 20 5 EDBDLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052703924 441470415 /nfs/dbraw/zinc/47/04/15/441470415.db2.gz GHOFOHZZBUKEEU-UHFFFAOYSA-N 1 2 334.376 1.071 20 5 EDBDLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052703924 441470419 /nfs/dbraw/zinc/47/04/19/441470419.db2.gz GHOFOHZZBUKEEU-UHFFFAOYSA-N 1 2 334.376 1.071 20 5 EDBDLO NC(=O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000052826681 441477663 /nfs/dbraw/zinc/47/76/63/441477663.db2.gz 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445563976 /nfs/dbraw/zinc/56/39/76/445563976.db2.gz UYYZIFYSABGBPJ-RYUDHWBXSA-N 1 2 337.401 1.472 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000362885209 445595488 /nfs/dbraw/zinc/59/54/88/445595488.db2.gz HOQZTXTUPRJWPK-CQSZACIVSA-N 1 2 327.406 1.556 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000362885209 445595490 /nfs/dbraw/zinc/59/54/90/445595490.db2.gz HOQZTXTUPRJWPK-CQSZACIVSA-N 1 2 327.406 1.556 20 5 EDBDLO COc1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000353899586 445805187 /nfs/dbraw/zinc/80/51/87/445805187.db2.gz MCBWYBNTLQVGBA-UHFFFAOYSA-N 1 2 331.376 1.644 20 5 EDBDLO COc1cccc([C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000361636893 445860209 /nfs/dbraw/zinc/86/02/09/445860209.db2.gz UMUMXUMTEOQFAW-MCIONIFRSA-N 1 2 330.344 1.300 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000351024362 445973064 /nfs/dbraw/zinc/97/30/64/445973064.db2.gz 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425497543 447193794 /nfs/dbraw/zinc/19/37/94/447193794.db2.gz CZDXBJOVNSGZHW-ZDUSSCGKSA-N 1 2 344.375 1.770 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425497543 447193798 /nfs/dbraw/zinc/19/37/98/447193798.db2.gz CZDXBJOVNSGZHW-ZDUSSCGKSA-N 1 2 344.375 1.770 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H](C)O1 ZINC000446070394 447227241 /nfs/dbraw/zinc/22/72/41/447227241.db2.gz NAXDTCBOSPNGOF-AGIUHOORSA-N 1 2 333.388 1.982 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H](C)O1 ZINC000446070394 447227244 /nfs/dbraw/zinc/22/72/44/447227244.db2.gz NAXDTCBOSPNGOF-AGIUHOORSA-N 1 2 333.388 1.982 20 5 EDBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)O1 ZINC000369043249 447283472 /nfs/dbraw/zinc/28/34/72/447283472.db2.gz ZHYFPQCRMJBDHW-INIZCTEOSA-N 1 2 349.343 1.536 20 5 EDBDLO O=C1NC[C@]2(CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)O1 ZINC000369043249 447283475 /nfs/dbraw/zinc/28/34/75/447283475.db2.gz ZHYFPQCRMJBDHW-INIZCTEOSA-N 1 2 349.343 1.536 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000494734815 447458558 /nfs/dbraw/zinc/45/85/58/447458558.db2.gz IFARENPQDAZLIE-JTQLQIEISA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000494734815 447458562 /nfs/dbraw/zinc/45/85/62/447458562.db2.gz IFARENPQDAZLIE-JTQLQIEISA-N 1 2 331.369 1.248 20 5 EDBDLO COC(=O)c1coc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000450568423 447529267 /nfs/dbraw/zinc/52/92/67/447529267.db2.gz MYFGQHYOHSTHDQ-SNVBAGLBSA-N 1 2 347.331 1.451 20 5 EDBDLO COC(=O)c1coc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000450568423 447529273 /nfs/dbraw/zinc/52/92/73/447529273.db2.gz MYFGQHYOHSTHDQ-SNVBAGLBSA-N 1 2 347.331 1.451 20 5 EDBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)o1 ZINC000450898666 447610145 /nfs/dbraw/zinc/61/01/45/447610145.db2.gz UJKQXUTYBAJIIR-SECBINFHSA-N 1 2 344.331 1.939 20 5 EDBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)o1 ZINC000450898666 447610147 /nfs/dbraw/zinc/61/01/47/447610147.db2.gz UJKQXUTYBAJIIR-SECBINFHSA-N 1 2 344.331 1.939 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257054 447715063 /nfs/dbraw/zinc/71/50/63/447715063.db2.gz FXCWCPKZUPCGNV-CZUORRHYSA-N 1 2 334.351 1.628 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257054 447715069 /nfs/dbraw/zinc/71/50/69/447715069.db2.gz FXCWCPKZUPCGNV-CZUORRHYSA-N 1 2 334.351 1.628 20 5 EDBDLO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000531146647 448029455 /nfs/dbraw/zinc/02/94/55/448029455.db2.gz IUUBKQKDIXJHNS-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505606336 448121899 /nfs/dbraw/zinc/12/18/99/448121899.db2.gz HMKKVZVQAUKXAY-NSHDSACASA-N 1 2 345.396 1.638 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505606336 448121903 /nfs/dbraw/zinc/12/19/03/448121903.db2.gz HMKKVZVQAUKXAY-NSHDSACASA-N 1 2 345.396 1.638 20 5 EDBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561309250 448236550 /nfs/dbraw/zinc/23/65/50/448236550.db2.gz AYOXMULGGPPLDG-SECBINFHSA-N 1 2 326.316 1.869 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000492822730 448303042 /nfs/dbraw/zinc/30/30/42/448303042.db2.gz LBLFOTITEJAKHT-YCZSJOHXSA-N 1 2 331.372 1.540 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000492822730 448303047 /nfs/dbraw/zinc/30/30/47/448303047.db2.gz LBLFOTITEJAKHT-YCZSJOHXSA-N 1 2 331.372 1.540 20 5 EDBDLO COC(=O)Cc1ccc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000578763637 448631187 /nfs/dbraw/zinc/63/11/87/448631187.db2.gz DLKWMIQEQJHLHY-GFCCVEGCSA-N 1 2 340.401 1.733 20 5 EDBDLO COC(=O)Cc1ccc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000578763637 448631193 /nfs/dbraw/zinc/63/11/93/448631193.db2.gz DLKWMIQEQJHLHY-GFCCVEGCSA-N 1 2 340.401 1.733 20 5 EDBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542979013 448734327 /nfs/dbraw/zinc/73/43/27/448734327.db2.gz KNVCKPLGDIDVOI-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542979013 448734333 /nfs/dbraw/zinc/73/43/33/448734333.db2.gz KNVCKPLGDIDVOI-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO Cc1cn2c([nH+]1)CN(c1cc3c(cc1[N+](=O)[O-])n(C)c(=O)n3C)CC2 ZINC000588014746 448858278 /nfs/dbraw/zinc/85/82/78/448858278.db2.gz WFMIUKNHZIYKSU-UHFFFAOYSA-N 1 2 342.359 1.310 20 5 EDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCc2c[nH+]cn2C1 ZINC000589866847 449070512 /nfs/dbraw/zinc/07/05/12/449070512.db2.gz XOMPRKBLBKSLHH-VIFPVBQESA-N 1 2 336.298 1.743 20 5 EDBDLO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000595606713 449075345 /nfs/dbraw/zinc/07/53/45/449075345.db2.gz QOTJNHXAXBRJSB-LBPRGKRZSA-N 1 2 339.392 1.809 20 5 EDBDLO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000595606713 449075349 /nfs/dbraw/zinc/07/53/49/449075349.db2.gz QOTJNHXAXBRJSB-LBPRGKRZSA-N 1 2 339.392 1.809 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(O)(CO)CC3)co2)cc1 ZINC000595733368 449136641 /nfs/dbraw/zinc/13/66/41/449136641.db2.gz RWMOYDCKPQBYSC-UHFFFAOYSA-N 1 2 333.344 1.569 20 5 EDBDLO Nc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1[N+](=O)[O-] ZINC000590571666 449196158 /nfs/dbraw/zinc/19/61/58/449196158.db2.gz HORUUYAEHRTWNI-HNNXBMFYSA-N 1 2 343.387 2.057 20 5 EDBDLO Cc1c[nH]c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]1 ZINC000600113856 449196908 /nfs/dbraw/zinc/19/69/08/449196908.db2.gz WWPUMBRQRHKWRU-UHFFFAOYSA-N 1 2 335.389 1.646 20 5 EDBDLO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595843385 449201756 /nfs/dbraw/zinc/20/17/56/449201756.db2.gz AOQFLSVMSNHYIR-LLVKDONJSA-N 1 2 332.364 1.801 20 5 EDBDLO C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1[nH+]ccn1C ZINC000595846123 449203797 /nfs/dbraw/zinc/20/37/97/449203797.db2.gz UNOLDMJJWPVHNV-LLVKDONJSA-N 1 2 347.379 1.633 20 5 EDBDLO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000611180379 449205568 /nfs/dbraw/zinc/20/55/68/449205568.db2.gz WZGIXTWWGHRNAV-QMMMGPOBSA-N 1 2 343.286 1.849 20 5 EDBDLO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000611180379 449205572 /nfs/dbraw/zinc/20/55/72/449205572.db2.gz WZGIXTWWGHRNAV-QMMMGPOBSA-N 1 2 343.286 1.849 20 5 EDBDLO O=C1[C@H](N2CCc3[nH+]c[nH]c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000590602309 449215366 /nfs/dbraw/zinc/21/53/66/449215366.db2.gz VKDLYNGRXZUVTP-OAHLLOKOSA-N 1 2 327.344 1.482 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000590602904 449217067 /nfs/dbraw/zinc/21/70/67/449217067.db2.gz YAGGPMDWLFJMNX-JTQLQIEISA-N 1 2 345.359 1.712 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000590552434 449186616 /nfs/dbraw/zinc/18/66/16/449186616.db2.gz KSNHYDCQCCBMMX-UHFFFAOYSA-N 1 2 330.344 1.980 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000590552434 449186621 /nfs/dbraw/zinc/18/66/21/449186621.db2.gz KSNHYDCQCCBMMX-UHFFFAOYSA-N 1 2 330.344 1.980 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000611153684 449188621 /nfs/dbraw/zinc/18/86/21/449188621.db2.gz ADWHTHLRBVVWAR-HZPDHXFCSA-N 1 2 344.371 1.160 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000611153684 449188628 /nfs/dbraw/zinc/18/86/28/449188628.db2.gz ADWHTHLRBVVWAR-HZPDHXFCSA-N 1 2 344.371 1.160 20 5 EDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000604496669 449238929 /nfs/dbraw/zinc/23/89/29/449238929.db2.gz QCXSLPQDQRHHQG-LBPRGKRZSA-N 1 2 329.360 1.582 20 5 EDBDLO Cc1cc(NCCCn2cncn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508523 449241784 /nfs/dbraw/zinc/24/17/84/449241784.db2.gz CAKORNDBGKCGFB-UHFFFAOYSA-N 1 2 339.359 1.876 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCO)Cc1cccnc1)OCCO2 ZINC000611268572 449243501 /nfs/dbraw/zinc/24/35/01/449243501.db2.gz VHQGKJFTJVKYBG-UHFFFAOYSA-N 1 2 345.355 1.756 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+](CCO)Cc1cccnc1)OCCO2 ZINC000611268572 449243507 /nfs/dbraw/zinc/24/35/07/449243507.db2.gz VHQGKJFTJVKYBG-UHFFFAOYSA-N 1 2 345.355 1.756 20 5 EDBDLO COc1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000593413863 449271930 /nfs/dbraw/zinc/27/19/30/449271930.db2.gz FXAQEEXZBAZKMO-UHFFFAOYSA-N 1 2 344.371 1.995 20 5 EDBDLO COc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000593996029 449316535 /nfs/dbraw/zinc/31/65/35/449316535.db2.gz HIRMFHWBJBPYBH-OAHLLOKOSA-N 1 2 335.404 1.900 20 5 EDBDLO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)C1 ZINC000593912857 449282077 /nfs/dbraw/zinc/28/20/77/449282077.db2.gz RQOPHVFLYALSPH-IOASZLSFSA-N 1 2 349.387 1.659 20 5 EDBDLO CSc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600424579 449368036 /nfs/dbraw/zinc/36/80/36/449368036.db2.gz LDTZQMKIAXUEHS-NSHDSACASA-N 1 2 325.390 1.377 20 5 EDBDLO CSc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600424579 449368042 /nfs/dbraw/zinc/36/80/42/449368042.db2.gz LDTZQMKIAXUEHS-NSHDSACASA-N 1 2 325.390 1.377 20 5 EDBDLO C[N@@H+]1CCCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000613953797 449396454 /nfs/dbraw/zinc/39/64/54/449396454.db2.gz NPAJLBRNORYWOD-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO C[N@H+]1CCCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000613953797 449396460 /nfs/dbraw/zinc/39/64/60/449396460.db2.gz NPAJLBRNORYWOD-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO CN1CCC[N@H+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000613953797 449396466 /nfs/dbraw/zinc/39/64/66/449396466.db2.gz NPAJLBRNORYWOD-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO CN1CCC[N@@H+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000613953797 449396474 /nfs/dbraw/zinc/39/64/74/449396474.db2.gz NPAJLBRNORYWOD-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000596543737 449546782 /nfs/dbraw/zinc/54/67/82/449546782.db2.gz RCKFYNXQEUWTDW-KBXCAEBGSA-N 1 2 349.431 1.882 20 5 EDBDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000596552715 449549487 /nfs/dbraw/zinc/54/94/87/449549487.db2.gz VDPPRKCYAFNZNP-MRXNPFEDSA-N 1 2 341.415 1.640 20 5 EDBDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000596552715 449549494 /nfs/dbraw/zinc/54/94/94/449549494.db2.gz VDPPRKCYAFNZNP-MRXNPFEDSA-N 1 2 341.415 1.640 20 5 EDBDLO Cn1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602433361 449582539 /nfs/dbraw/zinc/58/25/39/449582539.db2.gz LVSSESTUZPICGK-UHFFFAOYSA-N 1 2 343.387 1.723 20 5 EDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943167 449661543 /nfs/dbraw/zinc/66/15/43/449661543.db2.gz QSBFKQCMHVZYGJ-ZDUSSCGKSA-N 1 2 329.360 1.725 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1OC ZINC000598947706 449665767 /nfs/dbraw/zinc/66/57/67/449665767.db2.gz LICSWJBZKGCPSN-JTQLQIEISA-N 1 2 346.343 1.553 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594759855 449675022 /nfs/dbraw/zinc/67/50/22/449675022.db2.gz OTLVYYIWUPKNNW-LLVKDONJSA-N 1 2 337.361 1.212 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599066567 449715648 /nfs/dbraw/zinc/71/56/48/449715648.db2.gz TVXDRWXDZSDMRO-BZUAXINKSA-N 1 2 346.387 1.547 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000601182444 449738578 /nfs/dbraw/zinc/73/85/78/449738578.db2.gz VCNDVNYUGMDHOH-UHFFFAOYSA-N 1 2 341.437 1.796 20 5 EDBDLO Cc1cc[nH+]c([C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)c1 ZINC000599099239 449730431 /nfs/dbraw/zinc/73/04/31/449730431.db2.gz FZZNDJDJASLCPC-NSHDSACASA-N 1 2 327.344 1.786 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])n1 ZINC000602679202 449745827 /nfs/dbraw/zinc/74/58/27/449745827.db2.gz PNURMHKDUOFCMS-GOEBONIOSA-N 1 2 334.351 1.628 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])n1 ZINC000602679202 449745831 /nfs/dbraw/zinc/74/58/31/449745831.db2.gz PNURMHKDUOFCMS-GOEBONIOSA-N 1 2 334.351 1.628 20 5 EDBDLO Cn1c2cc(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)ccc2oc1=O ZINC000602802468 449820402 /nfs/dbraw/zinc/82/04/02/449820402.db2.gz ROZBLVNAUZKNOR-UHFFFAOYSA-N 1 2 340.339 1.993 20 5 EDBDLO Cn1c2cc(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)ccc2oc1=O ZINC000602802468 449820411 /nfs/dbraw/zinc/82/04/11/449820411.db2.gz ROZBLVNAUZKNOR-UHFFFAOYSA-N 1 2 340.339 1.993 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000602823899 449835225 /nfs/dbraw/zinc/83/52/25/449835225.db2.gz FLGTZPBCUSPUNL-MRXNPFEDSA-N 1 2 346.387 1.880 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000602823899 449835230 /nfs/dbraw/zinc/83/52/30/449835230.db2.gz FLGTZPBCUSPUNL-MRXNPFEDSA-N 1 2 346.387 1.880 20 5 EDBDLO O=C1[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C1CCC1 ZINC000602837248 449846932 /nfs/dbraw/zinc/84/69/32/449846932.db2.gz KGGZYPAXYQKTCK-HNNXBMFYSA-N 1 2 345.403 1.265 20 5 EDBDLO O=C1[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1C1CCC1 ZINC000602764808 449790365 /nfs/dbraw/zinc/79/03/65/449790365.db2.gz YKNPAZPCZYCWOW-KRWDZBQOSA-N 1 2 344.415 1.870 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000602934954 449935614 /nfs/dbraw/zinc/93/56/14/449935614.db2.gz ANNRKNUJJSESGO-HOCLYGCPSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000602934954 449935616 /nfs/dbraw/zinc/93/56/16/449935616.db2.gz ANNRKNUJJSESGO-HOCLYGCPSA-N 1 2 338.360 1.626 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601386065 449903253 /nfs/dbraw/zinc/90/32/53/449903253.db2.gz VSZDMSVEVAMHGE-GHMZBOCLSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601386065 449903257 /nfs/dbraw/zinc/90/32/57/449903257.db2.gz VSZDMSVEVAMHGE-GHMZBOCLSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])s1 ZINC000601392976 449907061 /nfs/dbraw/zinc/90/70/61/449907061.db2.gz XQLLPEZHBJDUOW-UHFFFAOYSA-N 1 2 345.446 1.895 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])s1 ZINC000601392976 449907063 /nfs/dbraw/zinc/90/70/63/449907063.db2.gz XQLLPEZHBJDUOW-UHFFFAOYSA-N 1 2 345.446 1.895 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])s1 ZINC000601406512 449922237 /nfs/dbraw/zinc/92/22/37/449922237.db2.gz CJNBKWGTQCRZAC-UHFFFAOYSA-N 1 2 331.419 1.505 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])s1 ZINC000601406512 449922241 /nfs/dbraw/zinc/92/22/41/449922241.db2.gz CJNBKWGTQCRZAC-UHFFFAOYSA-N 1 2 331.419 1.505 20 5 EDBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599563476 450062144 /nfs/dbraw/zinc/06/21/44/450062144.db2.gz HFSTUHDWYPAGMY-OAHLLOKOSA-N 1 2 334.332 1.235 20 5 EDBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599563476 450062148 /nfs/dbraw/zinc/06/21/48/450062148.db2.gz HFSTUHDWYPAGMY-OAHLLOKOSA-N 1 2 334.332 1.235 20 5 EDBDLO CCOC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618699 450108276 /nfs/dbraw/zinc/10/82/76/450108276.db2.gz LWXDOWSIFPTEHJ-GDBMZVCRSA-N 1 2 340.376 1.072 20 5 EDBDLO CCOC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618699 450108278 /nfs/dbraw/zinc/10/82/78/450108278.db2.gz LWXDOWSIFPTEHJ-GDBMZVCRSA-N 1 2 340.376 1.072 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597581773 450125070 /nfs/dbraw/zinc/12/50/70/450125070.db2.gz RBNKPMLWDYSIOQ-ONGXEEELSA-N 1 2 325.344 1.139 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597581773 450125076 /nfs/dbraw/zinc/12/50/76/450125076.db2.gz RBNKPMLWDYSIOQ-ONGXEEELSA-N 1 2 325.344 1.139 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(Cn2cc([C@@H]3COCC[NH2+]3)nn2)c(F)c1 ZINC000603246631 450174813 /nfs/dbraw/zinc/17/48/13/450174813.db2.gz DLDNLPVQCLRTJL-ZDUSSCGKSA-N 1 2 325.275 1.174 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595522538 450204872 /nfs/dbraw/zinc/20/48/72/450204872.db2.gz LYWXIVXROPXNTP-OAHLLOKOSA-N 1 2 348.403 1.253 20 5 EDBDLO CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)CCn1cc[nH+]c1 ZINC000603339283 450250668 /nfs/dbraw/zinc/25/06/68/450250668.db2.gz MZGSAFJTCCFBOC-UHFFFAOYSA-N 1 2 338.389 1.296 20 5 EDBDLO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](C)CCO1 ZINC000610900708 450374471 /nfs/dbraw/zinc/37/44/71/450374471.db2.gz HTLMVXRKJUNFED-MEBBXXQBSA-N 1 2 333.344 1.790 20 5 EDBDLO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900708 450374474 /nfs/dbraw/zinc/37/44/74/450374474.db2.gz HTLMVXRKJUNFED-MEBBXXQBSA-N 1 2 333.344 1.790 20 5 EDBDLO O=c1c2cc3ccccc3cc2ncn1C[C@H](O)C[NH+]1CCOCC1 ZINC000078740022 487141951 /nfs/dbraw/zinc/14/19/51/487141951.db2.gz FXRVACMACDRRMZ-MRXNPFEDSA-N 1 2 339.395 1.243 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000043946421 491002738 /nfs/dbraw/zinc/00/27/38/491002738.db2.gz LJHGDXWRHSLVLG-UHFFFAOYSA-N 1 2 326.316 1.407 20 5 EDBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000181644667 528577152 /nfs/dbraw/zinc/57/71/52/528577152.db2.gz FCJACHCGOFOPNH-CQSZACIVSA-N 1 2 342.417 1.869 20 5 EDBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000181644667 528577157 /nfs/dbraw/zinc/57/71/57/528577157.db2.gz FCJACHCGOFOPNH-CQSZACIVSA-N 1 2 342.417 1.869 20 5 EDBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000353179260 536476751 /nfs/dbraw/zinc/47/67/51/536476751.db2.gz DPSIQWVTOGHZBD-SNVBAGLBSA-N 1 2 335.316 1.985 20 5 EDBDLO Cc1nn(C[N@@H+](C)CC(=O)N2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939410 579744451 /nfs/dbraw/zinc/74/44/51/579744451.db2.gz XIUJZOSQMDIJPG-UHFFFAOYSA-N 1 2 332.364 1.160 20 5 EDBDLO Cc1nn(C[N@H+](C)CC(=O)N2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939410 579744452 /nfs/dbraw/zinc/74/44/52/579744452.db2.gz XIUJZOSQMDIJPG-UHFFFAOYSA-N 1 2 332.364 1.160 20 5 EDBDLO COC(=O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000750072821 579751053 /nfs/dbraw/zinc/75/10/53/579751053.db2.gz RGGAJCYWLWYFLI-HNNXBMFYSA-N 1 2 338.360 1.282 20 5 EDBDLO COC(=O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000750072821 579751054 /nfs/dbraw/zinc/75/10/54/579751054.db2.gz RGGAJCYWLWYFLI-HNNXBMFYSA-N 1 2 338.360 1.282 20 5 EDBDLO C[C@H](C(=O)OCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000755069640 579919276 /nfs/dbraw/zinc/91/92/76/579919276.db2.gz WVESANGFTAHGLM-NSHDSACASA-N 1 2 326.324 1.713 20 5 EDBDLO C[C@H](C(=O)OCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000774989472 580379956 /nfs/dbraw/zinc/37/99/56/580379956.db2.gz FSKGFZHRXQGHQI-GFCCVEGCSA-N 1 2 340.401 1.954 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781997299 580563126 /nfs/dbraw/zinc/56/31/26/580563126.db2.gz HIFDFHGZHGFYQF-LLVKDONJSA-N 1 2 348.359 1.496 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782003758 580563641 /nfs/dbraw/zinc/56/36/41/580563641.db2.gz YNGXOFQKMMLGIF-UHFFFAOYSA-N 1 2 333.304 1.784 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782591380 580579191 /nfs/dbraw/zinc/57/91/91/580579191.db2.gz LBEAUKNURWHACY-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782591380 580579192 /nfs/dbraw/zinc/57/91/92/580579192.db2.gz LBEAUKNURWHACY-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO COCC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000782964408 580589453 /nfs/dbraw/zinc/58/94/53/580589453.db2.gz VDRIMQGGXCHPQO-LBPRGKRZSA-N 1 2 337.332 1.198 20 5 EDBDLO COCC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000782964408 580589454 /nfs/dbraw/zinc/58/94/54/580589454.db2.gz VDRIMQGGXCHPQO-LBPRGKRZSA-N 1 2 337.332 1.198 20 5 EDBDLO O=C(OCCC1OCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677902 580649951 /nfs/dbraw/zinc/64/99/51/580649951.db2.gz NATHOAIKFJPATG-UHFFFAOYSA-N 1 2 333.300 1.700 20 5 EDBDLO C[N@@H+](Cc1ncnn1CC(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000786209943 580664325 /nfs/dbraw/zinc/66/43/25/580664325.db2.gz FCGIHZPLCAZPCC-GFCCVEGCSA-N 1 2 341.318 1.617 20 5 EDBDLO C[N@H+](Cc1ncnn1CC(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000786209943 580664326 /nfs/dbraw/zinc/66/43/26/580664326.db2.gz FCGIHZPLCAZPCC-GFCCVEGCSA-N 1 2 341.318 1.617 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000788846516 580730985 /nfs/dbraw/zinc/73/09/85/580730985.db2.gz SFBVKZBUJCIBPG-DEOSSOPVSA-N 1 2 348.428 1.644 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000792470200 580820530 /nfs/dbraw/zinc/82/05/30/580820530.db2.gz HNTCAEMLYAJQII-JTQLQIEISA-N 1 2 345.363 1.514 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000793182336 580837592 /nfs/dbraw/zinc/83/75/92/580837592.db2.gz POAAHDQGEDSORS-OAHLLOKOSA-N 1 2 332.360 1.969 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000800083488 581042362 /nfs/dbraw/zinc/04/23/62/581042362.db2.gz VBWIUILSYUQLNJ-LBPRGKRZSA-N 1 2 340.401 1.951 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000800083488 581042363 /nfs/dbraw/zinc/04/23/63/581042363.db2.gz VBWIUILSYUQLNJ-LBPRGKRZSA-N 1 2 340.401 1.951 20 5 EDBDLO CCOc1ccc(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000800117352 581043605 /nfs/dbraw/zinc/04/36/05/581043605.db2.gz ATHRMSYWZPNFPR-GFCCVEGCSA-N 1 2 338.360 1.871 20 5 EDBDLO CCOc1ccc(C(=O)OCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000800117352 581043606 /nfs/dbraw/zinc/04/36/06/581043606.db2.gz ATHRMSYWZPNFPR-GFCCVEGCSA-N 1 2 338.360 1.871 20 5 EDBDLO C[N@@H+]1CC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000895772257 591270045 /nfs/dbraw/zinc/27/00/45/591270045.db2.gz ZLQKKBRFLMLKMM-GFCCVEGCSA-N 1 2 349.778 1.910 20 5 EDBDLO C[N@H+]1CC[C@@H]1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000895772257 591270046 /nfs/dbraw/zinc/27/00/46/591270046.db2.gz ZLQKKBRFLMLKMM-GFCCVEGCSA-N 1 2 349.778 1.910 20 5 EDBDLO C[N@@H+]1CCOC[C@]1(CO)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000895610157 591822640 /nfs/dbraw/zinc/82/26/40/591822640.db2.gz PYROWTCRKLTXFB-CYBMUJFWSA-N 1 2 349.309 1.719 20 5 EDBDLO C[N@H+]1CCOC[C@]1(CO)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000895610157 591822643 /nfs/dbraw/zinc/82/26/43/591822643.db2.gz PYROWTCRKLTXFB-CYBMUJFWSA-N 1 2 349.309 1.719 20 5 EDBDLO C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC000910028120 592747684 /nfs/dbraw/zinc/74/76/84/592747684.db2.gz QAXWRNWXKQQLBD-UHOFOFEASA-N 1 2 334.372 1.962 20 5 EDBDLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC000910028120 592747688 /nfs/dbraw/zinc/74/76/88/592747688.db2.gz QAXWRNWXKQQLBD-UHOFOFEASA-N 1 2 334.372 1.962 20 5 EDBDLO CO[C@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@@H]1C ZINC000840122524 593206820 /nfs/dbraw/zinc/20/68/20/593206820.db2.gz DIOTWASGSBNFKR-HZMBPMFUSA-N 1 2 333.344 1.505 20 5 EDBDLO CO[C@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@@H]1C ZINC000840122524 593206823 /nfs/dbraw/zinc/20/68/23/593206823.db2.gz DIOTWASGSBNFKR-HZMBPMFUSA-N 1 2 333.344 1.505 20 5 EDBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000802244780 593238463 /nfs/dbraw/zinc/23/84/63/593238463.db2.gz TYCPZDHNIFSGDI-LLVKDONJSA-N 1 2 340.307 1.567 20 5 EDBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000802244780 593238465 /nfs/dbraw/zinc/23/84/65/593238465.db2.gz TYCPZDHNIFSGDI-LLVKDONJSA-N 1 2 340.307 1.567 20 5 EDBDLO CO[C@H]1CCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988364 593298912 /nfs/dbraw/zinc/29/89/12/593298912.db2.gz NNJHTAAPGZIYQA-HOCLYGCPSA-N 1 2 335.360 1.600 20 5 EDBDLO CO[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988364 593298914 /nfs/dbraw/zinc/29/89/14/593298914.db2.gz NNJHTAAPGZIYQA-HOCLYGCPSA-N 1 2 335.360 1.600 20 5 EDBDLO C[N@H+](CCn1cccn1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839995368 593307814 /nfs/dbraw/zinc/30/78/14/593307814.db2.gz HUFJRLUAPLPECZ-MRXNPFEDSA-N 1 2 345.359 1.318 20 5 EDBDLO C[N@@H+](CCn1cccn1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839995368 593307817 /nfs/dbraw/zinc/30/78/17/593307817.db2.gz HUFJRLUAPLPECZ-MRXNPFEDSA-N 1 2 345.359 1.318 20 5 EDBDLO COCC1CC[NH+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839997778 593322638 /nfs/dbraw/zinc/32/26/38/593322638.db2.gz WOGDEWVZYUQMLY-KRWDZBQOSA-N 1 2 349.387 1.848 20 5 EDBDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000839548530 593338612 /nfs/dbraw/zinc/33/86/12/593338612.db2.gz OZWDWIJNFLBSJS-CQSZACIVSA-N 1 2 343.767 1.270 20 5 EDBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000839548530 593338615 /nfs/dbraw/zinc/33/86/15/593338615.db2.gz OZWDWIJNFLBSJS-CQSZACIVSA-N 1 2 343.767 1.270 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)OCC1CC[NH+](CC(F)F)CC1 ZINC000810958686 593443489 /nfs/dbraw/zinc/44/34/89/593443489.db2.gz UAXPWUYNVSSTDL-UHFFFAOYSA-N 1 2 332.307 1.312 20 5 EDBDLO CC(C)[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000812290683 593494613 /nfs/dbraw/zinc/49/46/13/593494613.db2.gz FREVZRLKHLYOIC-GFCCVEGCSA-N 1 2 333.344 1.648 20 5 EDBDLO CC(C)[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000812290683 593494614 /nfs/dbraw/zinc/49/46/14/593494614.db2.gz FREVZRLKHLYOIC-GFCCVEGCSA-N 1 2 333.344 1.648 20 5 EDBDLO Cc1cn2cc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000822388909 594042091 /nfs/dbraw/zinc/04/20/91/594042091.db2.gz FZIXMOARPGRMDH-UHFFFAOYSA-N 1 2 337.303 1.870 20 5 EDBDLO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000829126131 594569542 /nfs/dbraw/zinc/56/95/42/594569542.db2.gz CWIXYUFGNLUAGF-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000829126131 594569544 /nfs/dbraw/zinc/56/95/44/594569544.db2.gz CWIXYUFGNLUAGF-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000831737546 594697717 /nfs/dbraw/zinc/69/77/17/594697717.db2.gz FIOUQLGKWKNAQW-NSHDSACASA-N 1 2 336.373 1.831 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c32)c(Cl)c1 ZINC000831739081 594697961 /nfs/dbraw/zinc/69/79/61/594697961.db2.gz QHJALCDPKXGEJR-JTQLQIEISA-N 1 2 342.764 1.868 20 5 EDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000842877612 595222882 /nfs/dbraw/zinc/22/28/82/595222882.db2.gz GBIPHVNSHFDHOL-LBPRGKRZSA-N 1 2 335.332 1.056 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580686 595408488 /nfs/dbraw/zinc/40/84/88/595408488.db2.gz DXUVWGWEXGTRHY-JTQLQIEISA-N 1 2 340.286 1.968 20 5 EDBDLO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000849371798 595514645 /nfs/dbraw/zinc/51/46/45/595514645.db2.gz WJLWAIOWVFAPHQ-LLVKDONJSA-N 1 2 328.394 1.143 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000855342885 595678548 /nfs/dbraw/zinc/67/85/48/595678548.db2.gz FCEWUCJQQPWLKS-UHFFFAOYSA-N 1 2 342.359 1.497 20 5 EDBDLO CCOC[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000113923361 595906116 /nfs/dbraw/zinc/90/61/16/595906116.db2.gz BOJPAJPVZKHTFE-GFCCVEGCSA-N 1 2 347.371 1.897 20 5 EDBDLO CCOC[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000113923361 595906117 /nfs/dbraw/zinc/90/61/17/595906117.db2.gz BOJPAJPVZKHTFE-GFCCVEGCSA-N 1 2 347.371 1.897 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859204685 596003020 /nfs/dbraw/zinc/00/30/20/596003020.db2.gz WWPSDATZTZFNMO-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859204685 596003023 /nfs/dbraw/zinc/00/30/23/596003023.db2.gz WWPSDATZTZFNMO-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000874704321 597149028 /nfs/dbraw/zinc/14/90/28/597149028.db2.gz HZMCLJDJRZKLSF-CYBMUJFWSA-N 1 2 339.367 1.883 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000874704321 597149030 /nfs/dbraw/zinc/14/90/30/597149030.db2.gz HZMCLJDJRZKLSF-CYBMUJFWSA-N 1 2 339.367 1.883 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874712398 597157798 /nfs/dbraw/zinc/15/77/98/597157798.db2.gz YMMRTIVDZKUVJE-CQSZACIVSA-N 1 2 339.367 1.503 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874712398 597157800 /nfs/dbraw/zinc/15/78/00/597157800.db2.gz YMMRTIVDZKUVJE-CQSZACIVSA-N 1 2 339.367 1.503 20 5 EDBDLO Cn1cc(C[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])n1 ZINC000877825522 597560267 /nfs/dbraw/zinc/56/02/67/597560267.db2.gz UWNVWLGARCZMMP-CQSZACIVSA-N 1 2 345.359 1.786 20 5 EDBDLO Cn1cc(C[N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])n1 ZINC000877825522 597560268 /nfs/dbraw/zinc/56/02/68/597560268.db2.gz UWNVWLGARCZMMP-CQSZACIVSA-N 1 2 345.359 1.786 20 5 EDBDLO COc1ccc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)cc1 ZINC000879633812 597666905 /nfs/dbraw/zinc/66/69/05/597666905.db2.gz KYLXWRBZGOTFRB-HNNXBMFYSA-N 1 2 332.360 1.873 20 5 EDBDLO COc1ccc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)cc1 ZINC000879633812 597666908 /nfs/dbraw/zinc/66/69/08/597666908.db2.gz KYLXWRBZGOTFRB-HNNXBMFYSA-N 1 2 332.360 1.873 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000917068915 696909729 /nfs/dbraw/zinc/90/97/29/696909729.db2.gz CKYMOHSZMYWIDZ-GFCCVEGCSA-N 1 2 348.403 1.620 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000444663333 697113185 /nfs/dbraw/zinc/11/31/85/697113185.db2.gz KYUIHOXIRUHREL-SNVBAGLBSA-N 1 2 330.348 1.325 20 5 EDBDLO Cc1nnsc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031542709 697228664 /nfs/dbraw/zinc/22/86/64/697228664.db2.gz BUNVXVOXFPJJTM-UHFFFAOYSA-N 1 2 347.400 1.617 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C[C@@H](C)O ZINC000187363841 529381166 /nfs/dbraw/zinc/38/11/66/529381166.db2.gz RLBKQWIXIIBHJO-VXGBXAGGSA-N 1 2 337.376 1.218 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C[C@@H](C)O ZINC000187363841 529381168 /nfs/dbraw/zinc/38/11/68/529381168.db2.gz RLBKQWIXIIBHJO-VXGBXAGGSA-N 1 2 337.376 1.218 20 5 EDBDLO CCO[C@@H]1COC[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560249790 306263044 /nfs/dbraw/zinc/26/30/44/306263044.db2.gz XNLATHQVCDNQLA-HUUCEWRRSA-N 1 2 344.371 1.998 20 5 EDBDLO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000412694381 304027466 /nfs/dbraw/zinc/02/74/66/304027466.db2.gz HGANKLVVXRMUHC-ZDUSSCGKSA-N 1 2 343.387 1.675 20 5 EDBDLO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000412694381 304027467 /nfs/dbraw/zinc/02/74/67/304027467.db2.gz HGANKLVVXRMUHC-ZDUSSCGKSA-N 1 2 343.387 1.675 20 5 EDBDLO COC(=O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000027344360 202154073 /nfs/dbraw/zinc/15/40/73/202154073.db2.gz GSFCQNFODUNJDF-UHFFFAOYSA-N 1 2 347.371 1.369 20 5 EDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110957705 138307453 /nfs/dbraw/zinc/30/74/53/138307453.db2.gz YZSIAHCOTPZPEG-INIZCTEOSA-N 1 2 347.415 1.851 20 5 EDBDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000027564419 202157173 /nfs/dbraw/zinc/15/71/73/202157173.db2.gz DVVNTKUYPDYYOL-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000027564419 202157176 /nfs/dbraw/zinc/15/71/76/202157176.db2.gz DVVNTKUYPDYYOL-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CCOC(=O)c1cc(N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000177049496 138720425 /nfs/dbraw/zinc/72/04/25/138720425.db2.gz PSNXDLLWNVNXFM-LBPRGKRZSA-N 1 2 337.376 1.904 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000565096964 306375494 /nfs/dbraw/zinc/37/54/94/306375494.db2.gz AWBKMDPLJNDCJJ-INIZCTEOSA-N 1 2 343.387 1.630 20 5 EDBDLO CC1CC[NH+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066333458 201158216 /nfs/dbraw/zinc/15/82/16/201158216.db2.gz LXTLQXGBGLMYQJ-UHFFFAOYSA-N 1 2 333.435 1.667 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650959 203425164 /nfs/dbraw/zinc/42/51/64/203425164.db2.gz DONDHTHSJMLPHF-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000104598225 204112638 /nfs/dbraw/zinc/11/26/38/204112638.db2.gz XWOZFTGNUSTRBT-OLZOCXBDSA-N 1 2 336.392 1.232 20 5 EDBDLO Cc1c(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000126015847 205036616 /nfs/dbraw/zinc/03/66/16/205036616.db2.gz GOPJVTOJXOMVAW-MRXNPFEDSA-N 1 2 347.415 1.769 20 5 EDBDLO O=C(Cn1nccc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCC2)cs1 ZINC000127984773 205126740 /nfs/dbraw/zinc/12/67/40/205126740.db2.gz SONBJLXCNAEVGX-UHFFFAOYSA-N 1 2 336.377 1.482 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](CCOCC)CC2)c1[N+](=O)[O-] ZINC000111622058 220172279 /nfs/dbraw/zinc/17/22/79/220172279.db2.gz FQJBGRVPAUEVKT-UHFFFAOYSA-N 1 2 339.396 1.065 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](CCOCC)CC2)c1[N+](=O)[O-] ZINC000111622058 220172282 /nfs/dbraw/zinc/17/22/82/220172282.db2.gz FQJBGRVPAUEVKT-UHFFFAOYSA-N 1 2 339.396 1.065 20 5 EDBDLO Cc1cc(N2CCn3cnnc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000156622469 206091405 /nfs/dbraw/zinc/09/14/05/206091405.db2.gz UQGXACVPGCWRON-UHFFFAOYSA-N 1 2 337.343 1.972 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000249072885 139184666 /nfs/dbraw/zinc/18/46/66/139184666.db2.gz LGJYJVJAMARZPY-GXTWGEPZSA-N 1 2 349.387 1.973 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000249072885 139184667 /nfs/dbraw/zinc/18/46/67/139184667.db2.gz LGJYJVJAMARZPY-GXTWGEPZSA-N 1 2 349.387 1.973 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249531053 139195106 /nfs/dbraw/zinc/19/51/06/139195106.db2.gz AZEMSJRTURPXOS-UHIISALHSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249531053 139195107 /nfs/dbraw/zinc/19/51/07/139195107.db2.gz AZEMSJRTURPXOS-UHIISALHSA-N 1 2 337.376 1.633 20 5 EDBDLO COCCO[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000189659316 533168110 /nfs/dbraw/zinc/16/81/10/533168110.db2.gz NBKSGBIHJXRIAA-OAHLLOKOSA-N 1 2 337.376 1.295 20 5 EDBDLO COCCO[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000189659316 533168117 /nfs/dbraw/zinc/16/81/17/533168117.db2.gz NBKSGBIHJXRIAA-OAHLLOKOSA-N 1 2 337.376 1.295 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493265925 255200494 /nfs/dbraw/zinc/20/04/94/255200494.db2.gz NIFNCUBQYJWWME-UZYOAWRESA-N 1 2 333.388 1.787 20 5 EDBDLO CC[N@H+](CCCNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270736418 140159003 /nfs/dbraw/zinc/15/90/03/140159003.db2.gz DTWMQCYPVOQVEX-UHFFFAOYSA-N 1 2 331.376 1.975 20 5 EDBDLO CC[N@@H+](CCCNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270736418 140159004 /nfs/dbraw/zinc/15/90/04/140159004.db2.gz DTWMQCYPVOQVEX-UHFFFAOYSA-N 1 2 331.376 1.975 20 5 EDBDLO COC(=O)C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000340372725 142363817 /nfs/dbraw/zinc/36/38/17/142363817.db2.gz XDZWXUHLUUPBBH-CYBMUJFWSA-N 1 2 338.360 1.410 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC[NH+]1CCOCC1 ZINC000347085789 143281033 /nfs/dbraw/zinc/28/10/33/143281033.db2.gz HCHMRMCMZUFANU-UHFFFAOYSA-N 1 2 337.376 1.458 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000347258147 143300932 /nfs/dbraw/zinc/30/09/32/143300932.db2.gz ATMRURFUNASVKN-AWEZNQCLSA-N 1 2 340.355 1.966 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000347258147 143300933 /nfs/dbraw/zinc/30/09/33/143300933.db2.gz ATMRURFUNASVKN-AWEZNQCLSA-N 1 2 340.355 1.966 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347302411 143305658 /nfs/dbraw/zinc/30/56/58/143305658.db2.gz NDCPCYDKRNHXPN-JTQLQIEISA-N 1 2 326.328 1.576 20 5 EDBDLO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341073112 149064461 /nfs/dbraw/zinc/06/44/61/149064461.db2.gz NTCOVCMEPGGQEA-UONOGXRCSA-N 1 2 348.403 1.772 20 5 EDBDLO COC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000370015436 155282419 /nfs/dbraw/zinc/28/24/19/155282419.db2.gz DFQJLJIZZKIZLM-VMPITWQZSA-N 1 2 347.371 1.315 20 5 EDBDLO COC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000370015436 155282423 /nfs/dbraw/zinc/28/24/23/155282423.db2.gz DFQJLJIZZKIZLM-VMPITWQZSA-N 1 2 347.371 1.315 20 5 EDBDLO CCN1CCN(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C1=O ZINC000370045678 155298063 /nfs/dbraw/zinc/29/80/63/155298063.db2.gz NGZNATTVNYLXGP-UHFFFAOYSA-N 1 2 336.396 1.050 20 5 EDBDLO CCOc1cc(C(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1OC ZINC000358183918 151298497 /nfs/dbraw/zinc/29/84/97/151298497.db2.gz GCKDQAHMNKOXGL-UHFFFAOYSA-N 1 2 346.343 1.855 20 5 EDBDLO O=C(CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360958906 152264500 /nfs/dbraw/zinc/26/45/00/152264500.db2.gz SAKIGBBSJNKCDZ-OAHLLOKOSA-N 1 2 347.371 1.603 20 5 EDBDLO O=C(CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360958906 152264502 /nfs/dbraw/zinc/26/45/02/152264502.db2.gz SAKIGBBSJNKCDZ-OAHLLOKOSA-N 1 2 347.371 1.603 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361419810 152388778 /nfs/dbraw/zinc/38/87/78/152388778.db2.gz HUMXSJBPXFHMDF-CQSZACIVSA-N 1 2 337.376 1.777 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361419810 152388779 /nfs/dbraw/zinc/38/87/79/152388779.db2.gz HUMXSJBPXFHMDF-CQSZACIVSA-N 1 2 337.376 1.777 20 5 EDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363930770 153099982 /nfs/dbraw/zinc/09/99/82/153099982.db2.gz CZLZGMHBAMMIHY-LBPRGKRZSA-N 1 2 345.359 1.018 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000331947397 292290875 /nfs/dbraw/zinc/29/08/75/292290875.db2.gz NQOACSSQWLLELE-GDBMZVCRSA-N 1 2 349.387 1.214 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000331947397 292290876 /nfs/dbraw/zinc/29/08/76/292290876.db2.gz NQOACSSQWLLELE-GDBMZVCRSA-N 1 2 349.387 1.214 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000374337542 157251691 /nfs/dbraw/zinc/25/16/91/157251691.db2.gz OJPFUKYMIHPAFL-LBPRGKRZSA-N 1 2 330.348 1.062 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000374337542 157251696 /nfs/dbraw/zinc/25/16/96/157251696.db2.gz OJPFUKYMIHPAFL-LBPRGKRZSA-N 1 2 330.348 1.062 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374362953 157261805 /nfs/dbraw/zinc/26/18/05/157261805.db2.gz HDESMKLXHPSHDW-HNNXBMFYSA-N 1 2 330.319 1.916 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374392110 157273076 /nfs/dbraw/zinc/27/30/76/157273076.db2.gz YNFNIXFLWOKWLT-AWEZNQCLSA-N 1 2 347.350 1.412 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)CC2 ZINC000374680925 157366459 /nfs/dbraw/zinc/36/64/59/157366459.db2.gz SFXHYOARXBTEEL-UHFFFAOYSA-N 1 2 344.356 1.760 20 5 EDBDLO CN(CC(=O)N1CCc2c([nH+]cn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000377867463 158015710 /nfs/dbraw/zinc/01/57/10/158015710.db2.gz YOOHVSNNTRELTH-UHFFFAOYSA-N 1 2 329.360 1.349 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000377961807 158040755 /nfs/dbraw/zinc/04/07/55/158040755.db2.gz VYNLIENKDDIZIP-JTQLQIEISA-N 1 2 343.343 1.239 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377961807 158040758 /nfs/dbraw/zinc/04/07/58/158040758.db2.gz VYNLIENKDDIZIP-JTQLQIEISA-N 1 2 343.343 1.239 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)CCC2 ZINC000378245611 158119363 /nfs/dbraw/zinc/11/93/63/158119363.db2.gz TUYFBMVWJRMJLF-LBPRGKRZSA-N 1 2 332.364 1.298 20 5 EDBDLO CN(C)C(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000352273818 162087528 /nfs/dbraw/zinc/08/75/28/162087528.db2.gz RCTDGJLLCHBVQA-UHFFFAOYSA-N 1 2 331.376 1.771 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000274703946 268188840 /nfs/dbraw/zinc/18/88/40/268188840.db2.gz OMBQOYLQQQBNDR-NSHDSACASA-N 1 2 338.364 1.446 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000276017880 268391771 /nfs/dbraw/zinc/39/17/71/268391771.db2.gz QMXAFRULCRIIFQ-OAHLLOKOSA-N 1 2 341.371 1.731 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000276017880 268391772 /nfs/dbraw/zinc/39/17/72/268391772.db2.gz QMXAFRULCRIIFQ-OAHLLOKOSA-N 1 2 341.371 1.731 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)n1 ZINC000275611979 273113111 /nfs/dbraw/zinc/11/31/11/273113111.db2.gz IXLIBXPQZICRKH-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)n1 ZINC000275611979 273113113 /nfs/dbraw/zinc/11/31/13/273113113.db2.gz IXLIBXPQZICRKH-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1nc(C2CC2)no1 ZINC000284822513 274346583 /nfs/dbraw/zinc/34/65/83/274346583.db2.gz JQTPJYABPXPCGJ-CYBMUJFWSA-N 1 2 347.379 1.040 20 5 EDBDLO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1nc(C2CC2)no1 ZINC000284822513 274346584 /nfs/dbraw/zinc/34/65/84/274346584.db2.gz JQTPJYABPXPCGJ-CYBMUJFWSA-N 1 2 347.379 1.040 20 5 EDBDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459494540 278601039 /nfs/dbraw/zinc/60/10/39/278601039.db2.gz JSGRJKMGKYKXIN-ZDUSSCGKSA-N 1 2 349.435 1.805 20 5 EDBDLO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccon1 ZINC000349247620 279460562 /nfs/dbraw/zinc/46/05/62/279460562.db2.gz ULXWIMIGXVKFOO-QMMMGPOBSA-N 1 2 334.288 1.601 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292231297 289295084 /nfs/dbraw/zinc/29/50/84/289295084.db2.gz IXARIFDOAJMGHK-ZDUSSCGKSA-N 1 2 349.435 1.375 20 5 EDBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292231297 289295086 /nfs/dbraw/zinc/29/50/86/289295086.db2.gz IXARIFDOAJMGHK-ZDUSSCGKSA-N 1 2 349.435 1.375 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000350939135 297063614 /nfs/dbraw/zinc/06/36/14/297063614.db2.gz LODYUJDGWHKOBZ-ZJUUUORDSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1C ZINC000350939135 297063616 /nfs/dbraw/zinc/06/36/16/297063616.db2.gz LODYUJDGWHKOBZ-ZJUUUORDSA-N 1 2 347.824 1.961 20 5 EDBDLO Cc1c(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000456197887 447318510 /nfs/dbraw/zinc/31/85/10/447318510.db2.gz FQFVSVDAHQMQDS-GASCZTMLSA-N 1 2 333.388 1.425 20 5 EDBDLO Cc1c(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000456197887 447318517 /nfs/dbraw/zinc/31/85/17/447318517.db2.gz FQFVSVDAHQMQDS-GASCZTMLSA-N 1 2 333.388 1.425 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000297333372 303386602 /nfs/dbraw/zinc/38/66/02/303386602.db2.gz AKPYTFUJENBHQB-OAHLLOKOSA-N 1 2 346.387 1.272 20 5 EDBDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000412042902 303955731 /nfs/dbraw/zinc/95/57/31/303955731.db2.gz UWSWFERVVMNWPO-MGBSGCIJSA-N 1 2 347.415 1.924 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000421558456 304802480 /nfs/dbraw/zinc/80/24/80/304802480.db2.gz NPYVURJGKOKLLO-UHFFFAOYSA-N 1 2 333.388 1.806 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](C)[NH+]1CCOCC1 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267556563 443496417 /nfs/dbraw/zinc/49/64/17/443496417.db2.gz IRDLJGMQODLFPM-UHFFFAOYSA-N 1 2 336.373 1.886 20 5 EDBDLO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000267563667 443498638 /nfs/dbraw/zinc/49/86/38/443498638.db2.gz VKEWYBNHJVPABB-WDEREUQCSA-N 1 2 337.405 1.461 20 5 EDBDLO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000444357251 320127169 /nfs/dbraw/zinc/12/71/69/320127169.db2.gz HALOEJYHYZGYIE-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000444357251 320127170 /nfs/dbraw/zinc/12/71/70/320127170.db2.gz HALOEJYHYZGYIE-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448742954 320156002 /nfs/dbraw/zinc/15/60/02/320156002.db2.gz AVTADIQEOVBWJG-GFCCVEGCSA-N 1 2 344.327 1.416 20 5 EDBDLO O=C(OCCN1CCOC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000491550943 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345.403 1.836 20 5 EDBDLO CN(C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC000344322898 444898646 /nfs/dbraw/zinc/89/86/46/444898646.db2.gz MVZMAEKJRBWAIF-LSDHHAIUSA-N 1 2 345.403 1.836 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000341709329 444962591 /nfs/dbraw/zinc/96/25/91/444962591.db2.gz FQIPPWKLWXZQBA-HUUCEWRRSA-N 1 2 337.351 1.208 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000341709329 444962596 /nfs/dbraw/zinc/96/25/96/444962596.db2.gz FQIPPWKLWXZQBA-HUUCEWRRSA-N 1 2 337.351 1.208 20 5 EDBDLO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000342045641 445142133 /nfs/dbraw/zinc/14/21/33/445142133.db2.gz OTXCUIGHKXGQLW-MNOVXSKESA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330798304 445145767 /nfs/dbraw/zinc/14/57/67/445145767.db2.gz HVCSQMAYOFQIJJ-GFCCVEGCSA-N 1 2 327.406 1.004 20 5 EDBDLO 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445410187 /nfs/dbraw/zinc/41/01/87/445410187.db2.gz HYTKUQDHDVIOJS-QGZVFWFLSA-N 1 2 347.415 1.980 20 5 EDBDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354822699 445410192 /nfs/dbraw/zinc/41/01/92/445410192.db2.gz HYTKUQDHDVIOJS-QGZVFWFLSA-N 1 2 347.415 1.980 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000359831734 445450582 /nfs/dbraw/zinc/45/05/82/445450582.db2.gz BVVZMKATVNPZGY-RYUDHWBXSA-N 1 2 325.413 1.665 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356075788 445605283 /nfs/dbraw/zinc/60/52/83/445605283.db2.gz ZHTOXXGYLPFUCE-NHYWBVRUSA-N 1 2 337.351 1.669 20 5 EDBDLO COc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000353511268 445635939 /nfs/dbraw/zinc/63/59/39/445635939.db2.gz BSVKLZBVHZPYLD-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO CC(=O)N1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353613101 445676354 /nfs/dbraw/zinc/67/63/54/445676354.db2.gz MDJBLVYZBQFXFL-ZBFHGGJFSA-N 1 2 343.387 1.628 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000358600469 445669328 /nfs/dbraw/zinc/66/93/28/445669328.db2.gz SBFVURSCEKPEQX-UHFFFAOYSA-N 1 2 326.316 1.742 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000350347498 445815484 /nfs/dbraw/zinc/81/54/84/445815484.db2.gz DFNFPXLNBWIAPH-PWSUYJOCSA-N 1 2 334.336 1.148 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000350347498 445815487 /nfs/dbraw/zinc/81/54/87/445815487.db2.gz DFNFPXLNBWIAPH-PWSUYJOCSA-N 1 2 334.336 1.148 20 5 EDBDLO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000359095159 445941788 /nfs/dbraw/zinc/94/17/88/445941788.db2.gz QQDZDCMCHXZSNM-UKRRQHHQSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000359095159 445941797 /nfs/dbraw/zinc/94/17/97/445941797.db2.gz QQDZDCMCHXZSNM-UKRRQHHQSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1cccc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000372955919 445941812 /nfs/dbraw/zinc/94/18/12/445941812.db2.gz XGIKVEOZESGDRK-HNNXBMFYSA-N 1 2 332.404 1.694 20 5 EDBDLO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000373030777 445984746 /nfs/dbraw/zinc/98/47/46/445984746.db2.gz PZEHFEKFOUXJCE-UHFFFAOYSA-N 1 2 345.359 1.433 20 5 EDBDLO O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000359184189 446007358 /nfs/dbraw/zinc/00/73/58/446007358.db2.gz UORHIYKZLKAMTF-GFCCVEGCSA-N 1 2 329.316 1.024 20 5 EDBDLO O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1ccccc1[N+](=O)[O-] ZINC000359184189 446007362 /nfs/dbraw/zinc/00/73/62/446007362.db2.gz UORHIYKZLKAMTF-GFCCVEGCSA-N 1 2 329.316 1.024 20 5 EDBDLO Cc1cccn2cc(CS(=O)(=O)Cc3c([N+](=O)[O-])ncn3C)[nH+]c12 ZINC000356946456 446147444 /nfs/dbraw/zinc/14/74/44/446147444.db2.gz ZHQQYCMJKNOVTK-UHFFFAOYSA-N 1 2 349.372 1.399 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000354373131 446156330 /nfs/dbraw/zinc/15/63/30/446156330.db2.gz RJGIEYLPXYXSSI-UHFFFAOYSA-N 1 2 339.311 1.581 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC([C@H]2CCOC2)C1 ZINC000373417389 446209612 /nfs/dbraw/zinc/20/96/12/446209612.db2.gz MBOVDTJUVTUHBI-ZDUSSCGKSA-N 1 2 342.355 1.889 20 5 EDBDLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)CC1 ZINC000374785635 446391981 /nfs/dbraw/zinc/39/19/81/446391981.db2.gz WLDDIRLCLOUTTH-GFCCVEGCSA-N 1 2 348.403 1.199 20 5 EDBDLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)CC1 ZINC000374785635 446391987 /nfs/dbraw/zinc/39/19/87/446391987.db2.gz WLDDIRLCLOUTTH-GFCCVEGCSA-N 1 2 348.403 1.199 20 5 EDBDLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367393680 446541234 /nfs/dbraw/zinc/54/12/34/446541234.db2.gz FWEPOPOJSDDZDQ-UHFFFAOYSA-N 1 2 331.332 1.678 20 5 EDBDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000368196649 446701455 /nfs/dbraw/zinc/70/14/55/446701455.db2.gz 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20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420991797 446968375 /nfs/dbraw/zinc/96/83/75/446968375.db2.gz JIJYDVUESOKKJW-ZDUSSCGKSA-N 1 2 349.387 1.921 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420991797 446968380 /nfs/dbraw/zinc/96/83/80/446968380.db2.gz JIJYDVUESOKKJW-ZDUSSCGKSA-N 1 2 349.387 1.921 20 5 EDBDLO C[C@@H](O)CNc1cc(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000413034869 446988673 /nfs/dbraw/zinc/98/86/73/446988673.db2.gz OKFYWNBGZUUZGZ-LLVKDONJSA-N 1 2 332.364 1.702 20 5 EDBDLO C[C@@H](O)CNc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000413034869 446988676 /nfs/dbraw/zinc/98/86/76/446988676.db2.gz OKFYWNBGZUUZGZ-LLVKDONJSA-N 1 2 332.364 1.702 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000372549782 447131172 /nfs/dbraw/zinc/13/11/72/447131172.db2.gz HKTSVQIMNUOIDT-NSHDSACASA-N 1 2 348.334 1.749 20 5 EDBDLO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015685 447264728 /nfs/dbraw/zinc/26/47/28/447264728.db2.gz GXINFEVHEJEMBO-HIFRSBDPSA-N 1 2 329.360 1.655 20 5 EDBDLO NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015685 447264738 /nfs/dbraw/zinc/26/47/38/447264738.db2.gz GXINFEVHEJEMBO-HIFRSBDPSA-N 1 2 329.360 1.655 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376093928 447265909 /nfs/dbraw/zinc/26/59/09/447265909.db2.gz JDNBGUSZGBYRAQ-UHFFFAOYSA-N 1 2 330.348 1.786 20 5 EDBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] ZINC000492695794 448261586 /nfs/dbraw/zinc/26/15/86/448261586.db2.gz KLOVHLIXFZUBJG-LBPRGKRZSA-N 1 2 343.405 1.246 20 5 EDBDLO CCOc1cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] ZINC000492695794 448261588 /nfs/dbraw/zinc/26/15/88/448261588.db2.gz KLOVHLIXFZUBJG-LBPRGKRZSA-N 1 2 343.405 1.246 20 5 EDBDLO CNc1nccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000582675426 448308911 /nfs/dbraw/zinc/30/89/11/448308911.db2.gz IJHSMXFLFAXCOG-NSHDSACASA-N 1 2 330.348 1.646 20 5 EDBDLO COC(=O)c1cccc2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000592158240 448717720 /nfs/dbraw/zinc/71/77/20/448717720.db2.gz GCLNIHLVUNTGHK-UHFFFAOYSA-N 1 2 330.344 1.636 20 5 EDBDLO COC(=O)c1cccc2c1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000592158240 448717723 /nfs/dbraw/zinc/71/77/23/448717723.db2.gz GCLNIHLVUNTGHK-UHFFFAOYSA-N 1 2 330.344 1.636 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000585817410 448791617 /nfs/dbraw/zinc/79/16/17/448791617.db2.gz SQTVDJJHAURYQN-CYBMUJFWSA-N 1 2 335.360 1.237 20 5 EDBDLO COC(=O)c1cc(C)nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000588002770 448853866 /nfs/dbraw/zinc/85/38/66/448853866.db2.gz JRVQIWNQOIANSZ-JQWIXIFHSA-N 1 2 338.364 1.216 20 5 EDBDLO COC(=O)c1cc(C)nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000588002770 448853873 /nfs/dbraw/zinc/85/38/73/448853873.db2.gz JRVQIWNQOIANSZ-JQWIXIFHSA-N 1 2 338.364 1.216 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000589509487 449027351 /nfs/dbraw/zinc/02/73/51/449027351.db2.gz QGDCYFSSQBMUCO-UHFFFAOYSA-N 1 2 338.364 1.084 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000589509487 449027352 /nfs/dbraw/zinc/02/73/52/449027352.db2.gz QGDCYFSSQBMUCO-UHFFFAOYSA-N 1 2 338.364 1.084 20 5 EDBDLO Cn1cc(Cl)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000569450254 449028149 /nfs/dbraw/zinc/02/81/49/449028149.db2.gz XJWPAFVEPTUUJU-LLVKDONJSA-N 1 2 340.767 1.511 20 5 EDBDLO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000592898958 449042580 /nfs/dbraw/zinc/04/25/80/449042580.db2.gz OWHRDEIGYKULGL-UHFFFAOYSA-N 1 2 335.360 1.237 20 5 EDBDLO C[C@@]1(C2CC2)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000595626519 449088568 /nfs/dbraw/zinc/08/85/68/449088568.db2.gz RQDZCNFBNIHMPD-SFHVURJKSA-N 1 2 345.399 1.985 20 5 EDBDLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000595626519 449088573 /nfs/dbraw/zinc/08/85/73/449088573.db2.gz RQDZCNFBNIHMPD-SFHVURJKSA-N 1 2 345.399 1.985 20 5 EDBDLO CO[C@@]1(CO)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595663159 449105305 /nfs/dbraw/zinc/10/53/05/449105305.db2.gz SFILAPXNIYSCMW-INIZCTEOSA-N 1 2 348.359 1.618 20 5 EDBDLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595663159 449105309 /nfs/dbraw/zinc/10/53/09/449105309.db2.gz SFILAPXNIYSCMW-INIZCTEOSA-N 1 2 348.359 1.618 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941602 449151456 /nfs/dbraw/zinc/15/14/56/449151456.db2.gz RLLCCUJZMOQOJU-UHFFFAOYSA-N 1 2 330.348 1.103 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000597995885 449181031 /nfs/dbraw/zinc/18/10/31/449181031.db2.gz GYMOWFKDECLCIM-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000597995885 449181036 /nfs/dbraw/zinc/18/10/36/449181036.db2.gz GYMOWFKDECLCIM-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCSC[C@H]1CCO)OCCO2 ZINC000611285928 449250981 /nfs/dbraw/zinc/25/09/81/449250981.db2.gz QVPZAZLZCKEWHM-GFCCVEGCSA-N 1 2 340.401 1.666 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCSC[C@H]1CCO)OCCO2 ZINC000611285928 449250985 /nfs/dbraw/zinc/25/09/85/449250985.db2.gz QVPZAZLZCKEWHM-GFCCVEGCSA-N 1 2 340.401 1.666 20 5 EDBDLO Cc1cc(NCC[C@@]2(O)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593495616 449308850 /nfs/dbraw/zinc/30/88/50/449308850.db2.gz QMZFYCIUNUYAHK-QGZVFWFLSA-N 1 2 344.371 1.736 20 5 EDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000611527641 449322644 /nfs/dbraw/zinc/32/26/44/449322644.db2.gz HKTRGKUGIMWDAP-UHFFFAOYSA-N 1 2 326.356 1.923 20 5 EDBDLO Cn1c[nH+]c(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000590913058 449341443 /nfs/dbraw/zinc/34/14/43/449341443.db2.gz HFYNGSGOEWXWDH-UHFFFAOYSA-N 1 2 332.316 1.072 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600417780 449364619 /nfs/dbraw/zinc/36/46/19/449364619.db2.gz BAGUSPYGBKWGQM-ZDUSSCGKSA-N 1 2 345.359 1.045 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600417780 449364624 /nfs/dbraw/zinc/36/46/24/449364624.db2.gz BAGUSPYGBKWGQM-ZDUSSCGKSA-N 1 2 345.359 1.045 20 5 EDBDLO CCOc1cc(C[NH+]2CCN(c3nncn3C)CC2)ccc1[N+](=O)[O-] ZINC000594022376 449328816 /nfs/dbraw/zinc/32/88/16/449328816.db2.gz GFNIWEDXAKGEFK-UHFFFAOYSA-N 1 2 346.391 1.444 20 5 EDBDLO COC(=O)[C@@](C)(NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000600532818 449428527 /nfs/dbraw/zinc/42/85/27/449428527.db2.gz DHKZKLLIGDBVOO-INIZCTEOSA-N 1 2 346.343 1.455 20 5 EDBDLO COC(=O)[C@@](C)(NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000600532818 449428531 /nfs/dbraw/zinc/42/85/31/449428531.db2.gz DHKZKLLIGDBVOO-INIZCTEOSA-N 1 2 346.343 1.455 20 5 EDBDLO C[C@]12COC[C@H]1CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000596480999 449523353 /nfs/dbraw/zinc/52/33/53/449523353.db2.gz RLPLCDXLHRSULL-QAPCUYQASA-N 1 2 347.415 1.900 20 5 EDBDLO CO[C@](C)(CO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594511412 449560207 /nfs/dbraw/zinc/56/02/07/449560207.db2.gz MXQSVKKREUONDE-HOCLYGCPSA-N 1 2 334.376 1.405 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602448040 449595782 /nfs/dbraw/zinc/59/57/82/449595782.db2.gz QMBSRJUGCQSDTC-LBPRGKRZSA-N 1 2 339.417 1.983 20 5 EDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947717 449665483 /nfs/dbraw/zinc/66/54/83/449665483.db2.gz NAGWHQHEQJVCOP-CYBMUJFWSA-N 1 2 339.355 1.877 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895150 449634554 /nfs/dbraw/zinc/63/45/54/449634554.db2.gz UFLPLVPSHHHFLR-UHFFFAOYSA-N 1 2 346.347 1.108 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599066568 449715832 /nfs/dbraw/zinc/71/58/32/449715832.db2.gz TVXDRWXDZSDMRO-HRCADAONSA-N 1 2 346.387 1.547 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599184591 449784793 /nfs/dbraw/zinc/78/47/93/449784793.db2.gz IWJJSYUXBFPOMK-AWEZNQCLSA-N 1 2 347.350 1.837 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599184591 449784798 /nfs/dbraw/zinc/78/47/98/449784798.db2.gz IWJJSYUXBFPOMK-AWEZNQCLSA-N 1 2 347.350 1.837 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000602773945 449797177 /nfs/dbraw/zinc/79/71/77/449797177.db2.gz ZDMRUABWTAQHBD-UHFFFAOYSA-N 1 2 346.313 1.991 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000602773945 449797179 /nfs/dbraw/zinc/79/71/79/449797179.db2.gz ZDMRUABWTAQHBD-UHFFFAOYSA-N 1 2 346.313 1.991 20 5 EDBDLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)n1cc([N+](=O)[O-])cn1 ZINC000608813049 449941452 /nfs/dbraw/zinc/94/14/52/449941452.db2.gz YGXLXTYHPKKVRX-UHFFFAOYSA-N 1 2 343.387 1.658 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000602959299 449960369 /nfs/dbraw/zinc/96/03/69/449960369.db2.gz ZOIASGINJYWVPW-BLLLJJGKSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000602959299 449960374 /nfs/dbraw/zinc/96/03/74/449960374.db2.gz ZOIASGINJYWVPW-BLLLJJGKSA-N 1 2 338.360 1.626 20 5 EDBDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000595286176 450001448 /nfs/dbraw/zinc/00/14/48/450001448.db2.gz DOPFRHXMLZHWPR-GASCZTMLSA-N 1 2 349.435 1.221 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c1C ZINC000595384613 450099847 /nfs/dbraw/zinc/09/98/47/450099847.db2.gz ZIWWMSOSCJJVGU-NSHDSACASA-N 1 2 338.389 1.985 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000601740883 450205308 /nfs/dbraw/zinc/20/53/08/450205308.db2.gz TWDAZEVECKUFBA-GFCCVEGCSA-N 1 2 332.360 1.479 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000601740883 450205317 /nfs/dbraw/zinc/20/53/17/450205317.db2.gz TWDAZEVECKUFBA-GFCCVEGCSA-N 1 2 332.360 1.479 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710060 450213703 /nfs/dbraw/zinc/21/37/03/450213703.db2.gz PVVIKBBUXIBTPY-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000603374737 450269343 /nfs/dbraw/zinc/26/93/43/450269343.db2.gz NWMZMWVYJJUUKT-UHFFFAOYSA-N 1 2 347.824 1.963 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000603374737 450269344 /nfs/dbraw/zinc/26/93/44/450269344.db2.gz NWMZMWVYJJUUKT-UHFFFAOYSA-N 1 2 347.824 1.963 20 5 EDBDLO CC(C)(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000331670368 535012191 /nfs/dbraw/zinc/01/21/91/535012191.db2.gz PIRNUUQXMXDKBN-UHFFFAOYSA-N 1 2 332.364 1.656 20 5 EDBDLO CC(C)(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000331670368 535012198 /nfs/dbraw/zinc/01/21/98/535012198.db2.gz PIRNUUQXMXDKBN-UHFFFAOYSA-N 1 2 332.364 1.656 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000726257948 578339767 /nfs/dbraw/zinc/33/97/67/578339767.db2.gz QUNKEJVWDILDOR-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000726257948 578339768 /nfs/dbraw/zinc/33/97/68/578339768.db2.gz QUNKEJVWDILDOR-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO Cn1nccc1CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000759912433 580019038 /nfs/dbraw/zinc/01/90/38/580019038.db2.gz XUMUPULQLDKEMS-UHFFFAOYSA-N 1 2 341.327 1.914 20 5 EDBDLO Cc1nn(C)c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000729339515 578564256 /nfs/dbraw/zinc/56/42/56/578564256.db2.gz YUQZJTJUOXIWSY-NSHDSACASA-N 1 2 334.380 1.678 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000745794270 579563171 /nfs/dbraw/zinc/56/31/71/579563171.db2.gz YGKFWIVHCVEDFY-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000745794270 579563172 /nfs/dbraw/zinc/56/31/72/579563172.db2.gz YGKFWIVHCVEDFY-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO C/C(=C\C(=O)N(C)CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000751919189 579828000 /nfs/dbraw/zinc/82/80/00/579828000.db2.gz LYMVBHOKCRMWIN-BUHFOSPRSA-N 1 2 333.388 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000776277562 580413734 /nfs/dbraw/zinc/41/37/34/580413734.db2.gz QLAITLRWTAXEQJ-CQSZACIVSA-N 1 2 334.401 1.907 20 5 EDBDLO C[N@@H+](Cc1nnc2ccccn21)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588780 580422764 /nfs/dbraw/zinc/42/27/64/580422764.db2.gz BUHLTJSKHLOUFN-AWEZNQCLSA-N 1 2 327.344 1.803 20 5 EDBDLO C[N@H+](Cc1nnc2ccccn21)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588780 580422765 /nfs/dbraw/zinc/42/27/65/580422765.db2.gz BUHLTJSKHLOUFN-AWEZNQCLSA-N 1 2 327.344 1.803 20 5 EDBDLO C[C@@H](O)c1cn(C2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000779619663 580491608 /nfs/dbraw/zinc/49/16/08/580491608.db2.gz JKBFFDJDNGSDNM-TXNVCOODSA-N 1 2 329.360 1.810 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782004976 580563784 /nfs/dbraw/zinc/56/37/84/580563784.db2.gz TVTXUZOFCCYTGW-LLVKDONJSA-N 1 2 348.359 1.496 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789509178 580747885 /nfs/dbraw/zinc/74/78/85/580747885.db2.gz UHMHKWIBHILPEU-CABCVRRESA-N 1 2 345.355 1.792 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789509178 580747886 /nfs/dbraw/zinc/74/78/86/580747886.db2.gz UHMHKWIBHILPEU-CABCVRRESA-N 1 2 345.355 1.792 20 5 EDBDLO CO[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H]1OC ZINC000792712902 580825312 /nfs/dbraw/zinc/82/53/12/580825312.db2.gz FIHKXDKAWAXQIK-OKILXGFUSA-N 1 2 333.348 1.156 20 5 EDBDLO CO[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H]1OC ZINC000792712902 580825313 /nfs/dbraw/zinc/82/53/13/580825313.db2.gz FIHKXDKAWAXQIK-OKILXGFUSA-N 1 2 333.348 1.156 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000794664902 580901974 /nfs/dbraw/zinc/90/19/74/580901974.db2.gz LNWHULVYSAALSB-LRDDRELGSA-N 1 2 332.360 1.782 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000794664902 580901975 /nfs/dbraw/zinc/90/19/75/580901975.db2.gz LNWHULVYSAALSB-LRDDRELGSA-N 1 2 332.360 1.782 20 5 EDBDLO Cc1cc(OCC(=O)O[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000797492550 580976565 /nfs/dbraw/zinc/97/65/65/580976565.db2.gz DKBJJAZXUSYZAS-CYBMUJFWSA-N 1 2 338.360 1.546 20 5 EDBDLO CCOc1cc(NC[C@]2(CO)COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895612954 591823938 /nfs/dbraw/zinc/82/39/38/591823938.db2.gz SPEALMDWWCYIBR-HNNXBMFYSA-N 1 2 325.365 1.099 20 5 EDBDLO CCOc1cc(NC[C@]2(CO)COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895612954 591823942 /nfs/dbraw/zinc/82/39/42/591823942.db2.gz SPEALMDWWCYIBR-HNNXBMFYSA-N 1 2 325.365 1.099 20 5 EDBDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000902672102 592040299 /nfs/dbraw/zinc/04/02/99/592040299.db2.gz ROXDJSHDUKMCAH-HSZRJFAPSA-N 1 2 344.441 1.035 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903216365 592141253 /nfs/dbraw/zinc/14/12/53/592141253.db2.gz ZMFQWYVXULPUOI-GFCCVEGCSA-N 1 2 341.389 1.072 20 5 EDBDLO COc1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000839495428 593308064 /nfs/dbraw/zinc/30/80/64/593308064.db2.gz UMUMXUMTEOQFAW-MGPQQGTHSA-N 1 2 330.344 1.300 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCOCC2(CC2)C1 ZINC000840045516 593413371 /nfs/dbraw/zinc/41/33/71/593413371.db2.gz XLQIWXBBQVAJLQ-INIZCTEOSA-N 1 2 347.371 1.602 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CCOCC2(CC2)C1 ZINC000840045516 593413372 /nfs/dbraw/zinc/41/33/72/593413372.db2.gz XLQIWXBBQVAJLQ-INIZCTEOSA-N 1 2 347.371 1.602 20 5 EDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000804499043 593419848 /nfs/dbraw/zinc/41/98/48/593419848.db2.gz XQHLHDNHNVMXEA-HSZRJFAPSA-N 1 2 339.417 1.298 20 5 EDBDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000815136710 593617684 /nfs/dbraw/zinc/61/76/84/593617684.db2.gz BYZUNQKUMCEDFX-NSHDSACASA-N 1 2 346.181 1.289 20 5 EDBDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000815136710 593617685 /nfs/dbraw/zinc/61/76/85/593617685.db2.gz BYZUNQKUMCEDFX-NSHDSACASA-N 1 2 346.181 1.289 20 5 EDBDLO Nc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000823973240 593897968 /nfs/dbraw/zinc/89/79/68/593897968.db2.gz FMKPFBKZDCLPSC-CYBMUJFWSA-N 1 2 349.391 1.506 20 5 EDBDLO C[C@H](c1nccc(N)n1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821343015 594022779 /nfs/dbraw/zinc/02/27/79/594022779.db2.gz TUVVSGJNAQZXON-GFCCVEGCSA-N 1 2 328.376 1.850 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000824725990 594062355 /nfs/dbraw/zinc/06/23/55/594062355.db2.gz CJXVOTMTASBWJI-CQSZACIVSA-N 1 2 330.287 1.583 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000824725990 594062357 /nfs/dbraw/zinc/06/23/57/594062357.db2.gz CJXVOTMTASBWJI-CQSZACIVSA-N 1 2 330.287 1.583 20 5 EDBDLO O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000822923350 594122740 /nfs/dbraw/zinc/12/27/40/594122740.db2.gz AGTQQIFDJKHRQI-CQSZACIVSA-N 1 2 332.316 1.969 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830886907 594505756 /nfs/dbraw/zinc/50/57/56/594505756.db2.gz WZUGVWKDOQAVAB-PWSUYJOCSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830886907 594505758 /nfs/dbraw/zinc/50/57/58/594505758.db2.gz WZUGVWKDOQAVAB-PWSUYJOCSA-N 1 2 328.752 1.604 20 5 EDBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000826724117 594564611 /nfs/dbraw/zinc/56/46/11/594564611.db2.gz FTGSFRDVWQLCHH-OAHLLOKOSA-N 1 2 343.387 1.829 20 5 EDBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000826724117 594564614 /nfs/dbraw/zinc/56/46/14/594564614.db2.gz FTGSFRDVWQLCHH-OAHLLOKOSA-N 1 2 343.387 1.829 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000867043129 594576303 /nfs/dbraw/zinc/57/63/03/594576303.db2.gz XCHMQSRRCGBPSS-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000867043129 594576304 /nfs/dbraw/zinc/57/63/04/594576304.db2.gz XCHMQSRRCGBPSS-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO C[NH+]1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827455515 594673889 /nfs/dbraw/zinc/67/38/89/594673889.db2.gz BTCRPQITMJQZLL-UHFFFAOYSA-N 1 2 346.431 1.376 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c32)cc1C ZINC000831737785 594697836 /nfs/dbraw/zinc/69/78/36/594697836.db2.gz HUCNFBIOBOZFCP-LLVKDONJSA-N 1 2 336.373 1.831 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)cc[nH+]1 ZINC000832171041 594732029 /nfs/dbraw/zinc/73/20/29/594732029.db2.gz KKTAINIHBXJCQP-UHFFFAOYSA-N 1 2 345.334 1.795 20 5 EDBDLO CC1(C)COC(=O)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000837634218 595157712 /nfs/dbraw/zinc/15/77/12/595157712.db2.gz ACFSCKSUABNJOR-CYBMUJFWSA-N 1 2 344.327 1.462 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000843904850 595213313 /nfs/dbraw/zinc/21/33/13/595213313.db2.gz RUQXFPJGFKBVFI-TXEJJXNPSA-N 1 2 337.351 1.635 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000843904850 595213316 /nfs/dbraw/zinc/21/33/16/595213316.db2.gz RUQXFPJGFKBVFI-TXEJJXNPSA-N 1 2 337.351 1.635 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000860019482 595545708 /nfs/dbraw/zinc/54/57/08/595545708.db2.gz WZAZBZPZWCYGHP-NSHDSACASA-N 1 2 339.779 1.795 20 5 EDBDLO CCn1cc(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000857899420 595647486 /nfs/dbraw/zinc/64/74/86/595647486.db2.gz DTFHWMUDMZCZQW-VIFPVBQESA-N 1 2 337.361 1.346 20 5 EDBDLO O=C(C[N@@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852435313 596160517 /nfs/dbraw/zinc/16/05/17/596160517.db2.gz LWLYBYQRNPCQDA-NSHDSACASA-N 1 2 334.332 1.060 20 5 EDBDLO O=C(C[N@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852435313 596160520 /nfs/dbraw/zinc/16/05/20/596160520.db2.gz LWLYBYQRNPCQDA-NSHDSACASA-N 1 2 334.332 1.060 20 5 EDBDLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000118963853 596348439 /nfs/dbraw/zinc/34/84/39/596348439.db2.gz HPDBYCXPIGOKNH-CQSZACIVSA-N 1 2 333.344 1.149 20 5 EDBDLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000118963853 596348443 /nfs/dbraw/zinc/34/84/43/596348443.db2.gz HPDBYCXPIGOKNH-CQSZACIVSA-N 1 2 333.344 1.149 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069926 596734387 /nfs/dbraw/zinc/73/43/87/596734387.db2.gz GKHBVRLZHMAYPJ-HNNXBMFYSA-N 1 2 349.387 1.076 20 5 EDBDLO CN1CCCC[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1=O ZINC000872673305 597025278 /nfs/dbraw/zinc/02/52/78/597025278.db2.gz KXGMZFFFMCPNRK-OAHLLOKOSA-N 1 2 331.376 1.845 20 5 EDBDLO CN1CCCC[C@@H]([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1=O ZINC000872673305 597025281 /nfs/dbraw/zinc/02/52/81/597025281.db2.gz KXGMZFFFMCPNRK-OAHLLOKOSA-N 1 2 331.376 1.845 20 5 EDBDLO O=[N+]([O-])c1cnc(NCc2cn3c([nH+]2)CCCC3)c(-c2nn[nH]n2)c1 ZINC000738373704 598395443 /nfs/dbraw/zinc/39/54/43/598395443.db2.gz FWTWKJPJOVTDQF-UHFFFAOYSA-N 1 2 341.335 1.315 20 5 EDBDLO C[C@H](CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000914067118 695056021 /nfs/dbraw/zinc/05/60/21/695056021.db2.gz LKJZDRSTLMKCIY-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCNc1cccc[nH+]1 ZINC000920438864 697435192 /nfs/dbraw/zinc/43/51/92/697435192.db2.gz VHTQKQUDIJVSON-UHFFFAOYSA-N 1 2 340.343 1.568 20 5 EDBDLO Cc1cc(Cl)ccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031661753 697435579 /nfs/dbraw/zinc/43/55/79/697435579.db2.gz HERZTGIPRWCQCF-HUUCEWRRSA-N 1 2 337.807 1.862 20 5 EDBDLO O=C(N[C@H]1CC[C@H]([NH2+]Cc2noc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644873 710321126 /nfs/dbraw/zinc/32/11/26/710321126.db2.gz MGYDNSAOPDJMBW-FDYHWXHSSA-N 1 2 349.391 1.129 20 5 EDBDLO Cn1ccc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC001004145784 711555366 /nfs/dbraw/zinc/55/53/66/711555366.db2.gz UFSXKCQZAQYYHD-UHFFFAOYSA-N 1 2 349.416 1.784 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000558734398 306246153 /nfs/dbraw/zinc/24/61/53/306246153.db2.gz HQBQZBBNPLJYSL-LBPRGKRZSA-N 1 2 326.316 1.571 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000066834055 215083061 /nfs/dbraw/zinc/08/30/61/215083061.db2.gz XGJRPVLBXJCLRR-CYBMUJFWSA-N 1 2 347.371 1.369 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000066834055 215083064 /nfs/dbraw/zinc/08/30/64/215083064.db2.gz XGJRPVLBXJCLRR-CYBMUJFWSA-N 1 2 347.371 1.369 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H](CF)C1 ZINC000412553870 304017932 /nfs/dbraw/zinc/01/79/32/304017932.db2.gz PECIICFPGZHDBV-LBPRGKRZSA-N 1 2 334.307 1.591 20 5 EDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCNC1=O ZINC000105610185 138301512 /nfs/dbraw/zinc/30/15/12/138301512.db2.gz GDEGOYHBTZASCE-CQSZACIVSA-N 1 2 335.360 1.562 20 5 EDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCNC1=O ZINC000105610185 138301513 /nfs/dbraw/zinc/30/15/13/138301513.db2.gz GDEGOYHBTZASCE-CQSZACIVSA-N 1 2 335.360 1.562 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137094776 201135805 /nfs/dbraw/zinc/13/58/05/201135805.db2.gz MDCVFKBZARUQIG-LLVKDONJSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137094776 201135807 /nfs/dbraw/zinc/13/58/07/201135807.db2.gz MDCVFKBZARUQIG-LLVKDONJSA-N 1 2 339.779 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159348385 206240246 /nfs/dbraw/zinc/24/02/46/206240246.db2.gz AIENIFGAUVESLS-LBPRGKRZSA-N 1 2 348.384 1.547 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C[C@@H](C)O ZINC000174627042 207038282 /nfs/dbraw/zinc/03/82/82/207038282.db2.gz YJCDLMFQJBAVQP-MNOVXSKESA-N 1 2 327.406 1.574 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C[C@@H](C)O ZINC000174627042 207038286 /nfs/dbraw/zinc/03/82/86/207038286.db2.gz YJCDLMFQJBAVQP-MNOVXSKESA-N 1 2 327.406 1.574 20 5 EDBDLO CC[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000271187857 140253640 /nfs/dbraw/zinc/25/36/40/140253640.db2.gz KXBPXBFXNGKLEA-IUODEOHRSA-N 1 2 326.349 1.266 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCO)CC1 ZINC000339779741 142153475 /nfs/dbraw/zinc/15/34/75/142153475.db2.gz GOEJOORIKSLJCZ-GFCCVEGCSA-N 1 2 337.376 1.395 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000346393048 143200117 /nfs/dbraw/zinc/20/01/17/143200117.db2.gz GRNUXBKUZKOREU-UHFFFAOYSA-N 1 2 326.316 1.776 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347290292 143304537 /nfs/dbraw/zinc/30/45/37/143304537.db2.gz MSSVDJVUEWPEDW-UHFFFAOYSA-N 1 2 335.360 1.198 20 5 EDBDLO O=C(Cn1nccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000347958502 143383789 /nfs/dbraw/zinc/38/37/89/143383789.db2.gz FXIMJFPAAOMYGH-UHFFFAOYSA-N 1 2 335.389 1.197 20 5 EDBDLO COc1cc(C[N@H+](C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352799285 149169771 /nfs/dbraw/zinc/16/97/71/149169771.db2.gz MIGLLIVIMDLMGF-MNOVXSKESA-N 1 2 348.302 1.396 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352799285 149169772 /nfs/dbraw/zinc/16/97/72/149169772.db2.gz MIGLLIVIMDLMGF-MNOVXSKESA-N 1 2 348.302 1.396 20 5 EDBDLO CCN1CCO[C@@H](C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)C1 ZINC000369911414 155228169 /nfs/dbraw/zinc/22/81/69/155228169.db2.gz ACIQQLGPZXVLEB-OAHLLOKOSA-N 1 2 349.435 1.141 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000360659014 152142154 /nfs/dbraw/zinc/14/21/54/152142154.db2.gz WTRIOUZWCGVQNO-UHFFFAOYSA-N 1 2 344.375 1.839 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCn2cc(C)[nH+]c2C1 ZINC000360690217 152154669 /nfs/dbraw/zinc/15/46/69/152154669.db2.gz IIAVQNLWMAHNDU-UHFFFAOYSA-N 1 2 345.359 1.563 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000360858828 152232486 /nfs/dbraw/zinc/23/24/86/152232486.db2.gz URRPCUIHTAPXJA-AAEUAGOBSA-N 1 2 330.344 1.481 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363717296 153038071 /nfs/dbraw/zinc/03/80/71/153038071.db2.gz RWJYYOHPEGRAGU-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363717296 153038073 /nfs/dbraw/zinc/03/80/73/153038073.db2.gz RWJYYOHPEGRAGU-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364863746 153354971 /nfs/dbraw/zinc/35/49/71/153354971.db2.gz SZVOHOXWRIJSQH-ZDUSSCGKSA-N 1 2 333.396 1.975 20 5 EDBDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364863746 153354973 /nfs/dbraw/zinc/35/49/73/153354973.db2.gz SZVOHOXWRIJSQH-ZDUSSCGKSA-N 1 2 333.396 1.975 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083031 154003055 /nfs/dbraw/zinc/00/30/55/154003055.db2.gz CIMGHWFMPHSVDM-HNNXBMFYSA-N 1 2 327.344 1.359 20 5 EDBDLO O=[N+]([O-])c1c(NC[C@@H]2[C@H]3COC[C@H]32)cc[nH+]c1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000367734873 154249448 /nfs/dbraw/zinc/24/94/48/154249448.db2.gz TZTRBCXZRVTLKR-WDFBJKNTSA-N 1 2 346.387 1.598 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367839023 154293137 /nfs/dbraw/zinc/29/31/37/154293137.db2.gz JGEYLWHDUQVSBJ-YJQGPUDQSA-N 1 2 339.779 1.745 20 5 EDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367839023 154293138 /nfs/dbraw/zinc/29/31/38/154293138.db2.gz JGEYLWHDUQVSBJ-YJQGPUDQSA-N 1 2 339.779 1.745 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367942100 154337376 /nfs/dbraw/zinc/33/73/76/154337376.db2.gz NGZJYHANVOYWCT-SECBINFHSA-N 1 2 344.356 1.541 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCN4CCOC[C@H]4C3)co2)cc1 ZINC000371814364 156119690 /nfs/dbraw/zinc/11/96/90/156119690.db2.gz DOYRAILVRNGJAX-MRXNPFEDSA-N 1 2 344.371 1.766 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCN4CCOC[C@H]4C3)co2)cc1 ZINC000371814364 156119693 /nfs/dbraw/zinc/11/96/93/156119693.db2.gz DOYRAILVRNGJAX-MRXNPFEDSA-N 1 2 344.371 1.766 20 5 EDBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cn(-c2ccccc2)nn1 ZINC000371822421 156123167 /nfs/dbraw/zinc/12/31/67/156123167.db2.gz KFAMZBDCMJOUGQ-NSHDSACASA-N 1 2 327.348 1.760 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372292751 156317592 /nfs/dbraw/zinc/31/75/92/156317592.db2.gz AEWCJCZCGLOCGW-AWEZNQCLSA-N 1 2 335.360 1.389 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372292751 156317596 /nfs/dbraw/zinc/31/75/96/156317596.db2.gz AEWCJCZCGLOCGW-AWEZNQCLSA-N 1 2 335.360 1.389 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)n1 ZINC000374318050 157240327 /nfs/dbraw/zinc/24/03/27/157240327.db2.gz VZYIYKFTVMWEQX-LBPRGKRZSA-N 1 2 333.323 1.254 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000376552041 157797562 /nfs/dbraw/zinc/79/75/62/157797562.db2.gz LOWRJYQGCXKBDU-CYBMUJFWSA-N 1 2 332.360 1.355 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000365192061 162356314 /nfs/dbraw/zinc/35/63/14/162356314.db2.gz OSVUJNHIKWDDIE-ZDUSSCGKSA-N 1 2 335.360 1.150 20 5 EDBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270390568 273023133 /nfs/dbraw/zinc/02/31/33/273023133.db2.gz SJFHEVZTWJTDNS-GFCCVEGCSA-N 1 2 337.376 1.395 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c2c(c1)COCO2 ZINC000274394179 268134201 /nfs/dbraw/zinc/13/42/01/268134201.db2.gz IIVUBVYSZSUUME-INIZCTEOSA-N 1 2 336.344 1.453 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c2c(c1)COCO2 ZINC000274394179 268134204 /nfs/dbraw/zinc/13/42/04/268134204.db2.gz IIVUBVYSZSUUME-INIZCTEOSA-N 1 2 336.344 1.453 20 5 EDBDLO COC(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274848125 268221789 /nfs/dbraw/zinc/22/17/89/268221789.db2.gz QIVMAHAZZXIEPU-UHFFFAOYSA-N 1 2 333.348 1.156 20 5 EDBDLO COC(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274848125 268221791 /nfs/dbraw/zinc/22/17/91/268221791.db2.gz QIVMAHAZZXIEPU-UHFFFAOYSA-N 1 2 333.348 1.156 20 5 EDBDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275442362 268343238 /nfs/dbraw/zinc/34/32/38/268343238.db2.gz KOZXJWZEMSBPDW-CQSZACIVSA-N 1 2 342.417 1.461 20 5 EDBDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275442362 268343240 /nfs/dbraw/zinc/34/32/40/268343240.db2.gz KOZXJWZEMSBPDW-CQSZACIVSA-N 1 2 342.417 1.461 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000275944914 268386465 /nfs/dbraw/zinc/38/64/65/268386465.db2.gz LQPHBMUQAOJZDW-LBPRGKRZSA-N 1 2 347.400 1.793 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000275944914 268386466 /nfs/dbraw/zinc/38/64/66/268386466.db2.gz LQPHBMUQAOJZDW-LBPRGKRZSA-N 1 2 347.400 1.793 20 5 EDBDLO Cc1cccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000274197228 273076801 /nfs/dbraw/zinc/07/68/01/273076801.db2.gz GZHLZCQZIAJECK-UHFFFAOYSA-N 1 2 344.389 1.334 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CC[S@](=O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000277435676 273197114 /nfs/dbraw/zinc/19/71/14/273197114.db2.gz KYYPUXTUWJZGRI-SPSFWMDKSA-N 1 2 342.417 1.683 20 5 EDBDLO COc1ccc(OCC[N@H+]2CC[S@](=O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000277435676 273197115 /nfs/dbraw/zinc/19/71/15/273197115.db2.gz KYYPUXTUWJZGRI-SPSFWMDKSA-N 1 2 342.417 1.683 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000284781566 274329407 /nfs/dbraw/zinc/32/94/07/274329407.db2.gz UPPKBEHDEPAYOH-HUUCEWRRSA-N 1 2 344.371 1.621 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000284781566 274329409 /nfs/dbraw/zinc/32/94/09/274329409.db2.gz UPPKBEHDEPAYOH-HUUCEWRRSA-N 1 2 344.371 1.621 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000284867870 274365693 /nfs/dbraw/zinc/36/56/93/274365693.db2.gz IRBXMQNEWXMGBN-KBPBESRZSA-N 1 2 338.339 1.671 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000284867870 274365695 /nfs/dbraw/zinc/36/56/95/274365695.db2.gz IRBXMQNEWXMGBN-KBPBESRZSA-N 1 2 338.339 1.671 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284895546 274377408 /nfs/dbraw/zinc/37/74/08/274377408.db2.gz UMXVULZDIJCEJU-WQVCFCJDSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284895546 274377410 /nfs/dbraw/zinc/37/74/10/274377410.db2.gz UMXVULZDIJCEJU-WQVCFCJDSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284895546 274377413 /nfs/dbraw/zinc/37/74/13/274377413.db2.gz UMXVULZDIJCEJU-WQVCFCJDSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284895546 274377414 /nfs/dbraw/zinc/37/74/14/274377414.db2.gz UMXVULZDIJCEJU-WQVCFCJDSA-N 1 2 348.403 1.327 20 5 EDBDLO O=C1[C@H]([N@@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000185149146 275029452 /nfs/dbraw/zinc/02/94/52/275029452.db2.gz LLCYGEQGVODZCI-NVXWUHKLSA-N 1 2 347.371 1.191 20 5 EDBDLO O=C1[C@H]([N@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000185149146 275029454 /nfs/dbraw/zinc/02/94/54/275029454.db2.gz LLCYGEQGVODZCI-NVXWUHKLSA-N 1 2 347.371 1.191 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000352625913 276385672 /nfs/dbraw/zinc/38/56/72/276385672.db2.gz KMWHCQOVLZSJCA-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000352625913 276385673 /nfs/dbraw/zinc/38/56/73/276385673.db2.gz KMWHCQOVLZSJCA-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000287185177 288175760 /nfs/dbraw/zinc/17/57/60/288175760.db2.gz HMLKSUZDPVEPDE-NWDGAFQWSA-N 1 2 334.376 1.112 20 5 EDBDLO Cc1nc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000363892162 281929799 /nfs/dbraw/zinc/92/97/99/281929799.db2.gz XBHVLZVKGAJIEE-AWEZNQCLSA-N 1 2 333.392 1.089 20 5 EDBDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292386589 289332772 /nfs/dbraw/zinc/33/27/72/289332772.db2.gz KBVXILGDBAUEHC-AWEZNQCLSA-N 1 2 349.391 1.639 20 5 EDBDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292386589 289332776 /nfs/dbraw/zinc/33/27/76/289332776.db2.gz KBVXILGDBAUEHC-AWEZNQCLSA-N 1 2 349.391 1.639 20 5 EDBDLO C[N@@H+]1CC[C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272238259 290160165 /nfs/dbraw/zinc/16/01/65/290160165.db2.gz VYNVRDFGVRTUMM-KOLCDFICSA-N 1 2 345.446 1.590 20 5 EDBDLO C[N@H+]1CC[C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272238259 290160167 /nfs/dbraw/zinc/16/01/67/290160167.db2.gz VYNVRDFGVRTUMM-KOLCDFICSA-N 1 2 345.446 1.590 20 5 EDBDLO C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000422029738 447316024 /nfs/dbraw/zinc/31/60/24/447316024.db2.gz IYKLBMRTRIRONM-YPMHNXCESA-N 1 2 330.344 1.766 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293719184 303008597 /nfs/dbraw/zinc/00/85/97/303008597.db2.gz FMALPWAVQKSDGK-PHIMTYICSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293719184 303008598 /nfs/dbraw/zinc/00/85/98/303008598.db2.gz FMALPWAVQKSDGK-PHIMTYICSA-N 1 2 343.405 1.317 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294876340 303152161 /nfs/dbraw/zinc/15/21/61/303152161.db2.gz PSAZSNXVNXDZLQ-SNVBAGLBSA-N 1 2 335.339 1.815 20 5 EDBDLO Cc1n[nH]c(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000299521298 303624566 /nfs/dbraw/zinc/62/45/66/303624566.db2.gz JJCFMIDIHSWROC-UHFFFAOYSA-N 1 2 328.332 1.714 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000456220727 447337168 /nfs/dbraw/zinc/33/71/68/447337168.db2.gz XBBDWQFCWHFLBK-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000456220727 447337177 /nfs/dbraw/zinc/33/71/77/447337177.db2.gz XBBDWQFCWHFLBK-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO CN(C)C(=O)C1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000411915606 303934600 /nfs/dbraw/zinc/93/46/00/303934600.db2.gz SQDGYSOFUYOLMQ-UHFFFAOYSA-N 1 2 331.332 1.355 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCO ZINC000428592610 305012648 /nfs/dbraw/zinc/01/26/48/305012648.db2.gz AERHKGWFZVXHOM-CYBMUJFWSA-N 1 2 330.344 1.768 20 5 EDBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000431573630 305079884 /nfs/dbraw/zinc/07/98/84/305079884.db2.gz CBDHEWPWXRVGDQ-UHFFFAOYSA-N 1 2 343.386 1.847 20 5 EDBDLO CC(C)[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000432924385 305097807 /nfs/dbraw/zinc/09/78/07/305097807.db2.gz LFKQBOMFWGIFLJ-NSHDSACASA-N 1 2 327.406 1.431 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434705909 305128694 /nfs/dbraw/zinc/12/86/94/305128694.db2.gz LCDFLLPIDHKTGI-GFCCVEGCSA-N 1 2 333.392 1.624 20 5 EDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCn2cc[nH+]c2C1 ZINC000446893801 305271625 /nfs/dbraw/zinc/27/16/25/305271625.db2.gz IOLHYPOMPKZAIN-UHFFFAOYSA-N 1 2 341.331 1.393 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447656655 305283687 /nfs/dbraw/zinc/28/36/87/305283687.db2.gz ASPYBSNCCVVVNC-NSHDSACASA-N 1 2 325.340 1.527 20 5 EDBDLO CCOC(=O)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450056464 305323526 /nfs/dbraw/zinc/32/35/26/305323526.db2.gz ABJPUZNJURKZSF-LLVKDONJSA-N 1 2 346.343 1.710 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427552 305345588 /nfs/dbraw/zinc/34/55/88/305345588.db2.gz JQASNGCXVDRQNE-OTYXRUKQSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427552 305345589 /nfs/dbraw/zinc/34/55/89/305345589.db2.gz JQASNGCXVDRQNE-OTYXRUKQSA-N 1 2 329.303 1.624 20 5 EDBDLO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452395420 305397867 /nfs/dbraw/zinc/39/78/67/305397867.db2.gz WPRILGUZKFUXRV-LBPRGKRZSA-N 1 2 347.375 1.048 20 5 EDBDLO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452395420 305397868 /nfs/dbraw/zinc/39/78/68/305397868.db2.gz WPRILGUZKFUXRV-LBPRGKRZSA-N 1 2 347.375 1.048 20 5 EDBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000540953627 306042595 /nfs/dbraw/zinc/04/25/95/306042595.db2.gz HMFJZILJZLVJDZ-HZPDHXFCSA-N 1 2 349.387 1.674 20 5 EDBDLO C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546103172 306090701 /nfs/dbraw/zinc/09/07/01/306090701.db2.gz GSGMKKUMKKYMQO-OAHLLOKOSA-N 1 2 337.332 1.109 20 5 EDBDLO C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546103172 306090702 /nfs/dbraw/zinc/09/07/02/306090702.db2.gz GSGMKKUMKKYMQO-OAHLLOKOSA-N 1 2 337.332 1.109 20 5 EDBDLO CN(C)c1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000046388140 441105953 /nfs/dbraw/zinc/10/59/53/441105953.db2.gz HNAYZNIUXUMGAL-UHFFFAOYSA-N 1 2 330.344 1.751 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000101922989 441163619 /nfs/dbraw/zinc/16/36/19/441163619.db2.gz AWMAJTOPXTYDQL-UHFFFAOYSA-N 1 2 342.402 1.879 20 5 EDBDLO O=[N+]([O-])c1cnccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000060342902 441236742 /nfs/dbraw/zinc/23/67/42/441236742.db2.gz ABOKUOAPDBKWHV-UHFFFAOYSA-N 1 2 338.371 1.960 20 5 EDBDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026489836 441378941 /nfs/dbraw/zinc/37/89/41/441378941.db2.gz OGRWHGWUKTUIPL-GFCCVEGCSA-N 1 2 335.408 1.415 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083446304 441362665 /nfs/dbraw/zinc/36/26/65/441362665.db2.gz FFEFBGTWELWKNE-NSHDSACASA-N 1 2 344.375 1.920 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028088204 441425728 /nfs/dbraw/zinc/42/57/28/441425728.db2.gz SMDQLGBVSOOGNF-UHFFFAOYSA-N 1 2 328.372 1.891 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000065722738 441478915 /nfs/dbraw/zinc/47/89/15/441478915.db2.gz LEKNSTKWYWGHFY-UHFFFAOYSA-N 1 2 326.316 1.924 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000030310662 441490130 /nfs/dbraw/zinc/49/01/30/441490130.db2.gz FVVNXFXIXCELRR-UHFFFAOYSA-N 1 2 345.359 1.095 20 5 EDBDLO Cn1cc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000054175419 441562601 /nfs/dbraw/zinc/56/26/01/441562601.db2.gz HEBIVDMZDBXLEX-UHFFFAOYSA-N 1 2 349.416 1.784 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000055207788 441628835 /nfs/dbraw/zinc/62/88/35/441628835.db2.gz WPJUBUMUSWOMOR-UHFFFAOYSA-N 1 2 339.417 1.721 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000090516971 441632004 /nfs/dbraw/zinc/63/20/04/441632004.db2.gz MCMPMCBHHGCUJJ-INIZCTEOSA-N 1 2 329.356 1.830 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000090516971 441632007 /nfs/dbraw/zinc/63/20/07/441632007.db2.gz MCMPMCBHHGCUJJ-INIZCTEOSA-N 1 2 329.356 1.830 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000076651378 441670735 /nfs/dbraw/zinc/67/07/35/441670735.db2.gz RVWFRFJAZLGPAK-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000076651378 441670739 /nfs/dbraw/zinc/67/07/39/441670739.db2.gz RVWFRFJAZLGPAK-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000076651378 441670742 /nfs/dbraw/zinc/67/07/42/441670742.db2.gz RVWFRFJAZLGPAK-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000076651378 441670744 /nfs/dbraw/zinc/67/07/44/441670744.db2.gz RVWFRFJAZLGPAK-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116272951 441806764 /nfs/dbraw/zinc/80/67/64/441806764.db2.gz JIXLTXKRJKOYCK-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116272951 441806769 /nfs/dbraw/zinc/80/67/69/441806769.db2.gz JIXLTXKRJKOYCK-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000159551760 441821344 /nfs/dbraw/zinc/82/13/44/441821344.db2.gz QLBUMHVQKAVJJC-UHFFFAOYSA-N 1 2 328.332 1.796 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000120195756 442027255 /nfs/dbraw/zinc/02/72/55/442027255.db2.gz VOJPILCTAVCKQS-ZDUSSCGKSA-N 1 2 335.408 1.579 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000120195756 442027261 /nfs/dbraw/zinc/02/72/61/442027261.db2.gz VOJPILCTAVCKQS-ZDUSSCGKSA-N 1 2 335.408 1.579 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152117307 442167496 /nfs/dbraw/zinc/16/74/96/442167496.db2.gz OVDZLTCIMUXYPC-LBPRGKRZSA-N 1 2 331.380 1.666 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000152117307 442167500 /nfs/dbraw/zinc/16/75/00/442167500.db2.gz OVDZLTCIMUXYPC-LBPRGKRZSA-N 1 2 331.380 1.666 20 5 EDBDLO Cc1c(CC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000120954797 442156646 /nfs/dbraw/zinc/15/66/46/442156646.db2.gz RZLUZFFQWHWNEY-UONOGXRCSA-N 1 2 335.404 1.671 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152741526 442240946 /nfs/dbraw/zinc/24/09/46/442240946.db2.gz QPYMOAUHXUEDMC-CQSZACIVSA-N 1 2 326.356 1.927 20 5 EDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170910393 442287224 /nfs/dbraw/zinc/28/72/24/442287224.db2.gz JQBKZKAOGQEDER-HNNXBMFYSA-N 1 2 346.387 1.084 20 5 EDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170910393 442287225 /nfs/dbraw/zinc/28/72/25/442287225.db2.gz JQBKZKAOGQEDER-HNNXBMFYSA-N 1 2 346.387 1.084 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000129860746 442333755 /nfs/dbraw/zinc/33/37/55/442333755.db2.gz OEJDXIOECZLBML-UHFFFAOYSA-N 1 2 344.371 1.731 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000129860746 442333757 /nfs/dbraw/zinc/33/37/57/442333757.db2.gz OEJDXIOECZLBML-UHFFFAOYSA-N 1 2 344.371 1.731 20 5 EDBDLO C[C@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)N(C)C ZINC000130375434 442345087 /nfs/dbraw/zinc/34/50/87/442345087.db2.gz HWXOPXVZESOZOF-LBPRGKRZSA-N 1 2 348.403 1.152 20 5 EDBDLO C[C@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)N(C)C ZINC000130375434 442345089 /nfs/dbraw/zinc/34/50/89/442345089.db2.gz HWXOPXVZESOZOF-LBPRGKRZSA-N 1 2 348.403 1.152 20 5 EDBDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000171476241 442351964 /nfs/dbraw/zinc/35/19/64/442351964.db2.gz KGHOXASWEQIRML-UHFFFAOYSA-N 1 2 336.392 1.326 20 5 EDBDLO Cc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000171476241 442351967 /nfs/dbraw/zinc/35/19/67/442351967.db2.gz KGHOXASWEQIRML-UHFFFAOYSA-N 1 2 336.392 1.326 20 5 EDBDLO O=C(C[NH+]1CCC(OCCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000154928797 442365176 /nfs/dbraw/zinc/36/51/76/442365176.db2.gz YMLWSPDQSNCRPL-UHFFFAOYSA-N 1 2 337.376 1.397 20 5 EDBDLO Cc1c(NC(=O)CC[NH+]2CCS(=O)CC2)cccc1[N+](=O)[O-] ZINC000171700204 442371158 /nfs/dbraw/zinc/37/11/58/442371158.db2.gz ICZJHZDKLPYLSM-UHFFFAOYSA-N 1 2 325.390 1.296 20 5 EDBDLO Cc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000134542710 442492771 /nfs/dbraw/zinc/49/27/71/442492771.db2.gz MTOGNCWGKSFROZ-UHFFFAOYSA-N 1 2 338.389 1.811 20 5 EDBDLO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179495551 442466365 /nfs/dbraw/zinc/46/63/65/442466365.db2.gz QKODBYLNAOHMBK-GFCCVEGCSA-N 1 2 336.392 1.056 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000186651880 442583162 /nfs/dbraw/zinc/58/31/62/442583162.db2.gz UJNYXAREYXBJLH-XHDPSFHLSA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157915062 442627741 /nfs/dbraw/zinc/62/77/41/442627741.db2.gz DBABNLVTEGIIPW-NOZJJQNGSA-N 1 2 327.768 1.697 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 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346.343 1.553 20 5 EDBDLO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000444357252 320127293 /nfs/dbraw/zinc/12/72/93/320127293.db2.gz HALOEJYHYZGYIE-NSHDSACASA-N 1 2 337.376 1.218 20 5 EDBDLO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000444357252 320127295 /nfs/dbraw/zinc/12/72/95/320127295.db2.gz HALOEJYHYZGYIE-NSHDSACASA-N 1 2 337.376 1.218 20 5 EDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276669031 443785136 /nfs/dbraw/zinc/78/51/36/443785136.db2.gz STCQLBNNWJCETP-AWEZNQCLSA-N 1 2 346.387 1.272 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c1C ZINC000298486704 443780995 /nfs/dbraw/zinc/78/09/95/443780995.db2.gz HNAWRHPCNNZAQJ-LLVKDONJSA-N 1 2 338.389 1.775 20 5 EDBDLO C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000277283671 443952048 /nfs/dbraw/zinc/95/20/48/443952048.db2.gz BDIMNWHOAILSCT-CYBMUJFWSA-N 1 2 348.403 1.820 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2cccnc2)CC1 ZINC000293088816 443921492 /nfs/dbraw/zinc/92/14/92/443921492.db2.gz KGGZNDFQNHGVFS-UHFFFAOYSA-N 1 2 340.383 1.990 20 5 EDBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000281513910 443931975 /nfs/dbraw/zinc/93/19/75/443931975.db2.gz AGJZNXFPZVWRRU-LLVKDONJSA-N 1 2 340.767 1.397 20 5 EDBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000281513910 443931979 /nfs/dbraw/zinc/93/19/79/443931979.db2.gz AGJZNXFPZVWRRU-LLVKDONJSA-N 1 2 340.767 1.397 20 5 EDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277412413 443983416 /nfs/dbraw/zinc/98/34/16/443983416.db2.gz JRJLRYFYWNZQPU-QNXDBWELSA-N 1 2 342.417 1.035 20 5 EDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000277412413 443983422 /nfs/dbraw/zinc/98/34/22/443983422.db2.gz JRJLRYFYWNZQPU-QNXDBWELSA-N 1 2 342.417 1.035 20 5 EDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277503325 443998478 /nfs/dbraw/zinc/99/84/78/443998478.db2.gz POUPNRXGLXSKSA-RFIQDPTOSA-N 1 2 342.417 1.035 20 5 EDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277503325 443998480 /nfs/dbraw/zinc/99/84/80/443998480.db2.gz POUPNRXGLXSKSA-RFIQDPTOSA-N 1 2 342.417 1.035 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000293469524 444026845 /nfs/dbraw/zinc/02/68/45/444026845.db2.gz XEWULLZRFFJKQR-GFCCVEGCSA-N 1 2 330.381 1.991 20 5 EDBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000293469524 444026849 /nfs/dbraw/zinc/02/68/49/444026849.db2.gz XEWULLZRFFJKQR-GFCCVEGCSA-N 1 2 330.381 1.991 20 5 EDBDLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000566419535 321229610 /nfs/dbraw/zinc/22/96/10/321229610.db2.gz VAWLEADJVOGAFP-MFKMUULPSA-N 1 2 336.348 1.719 20 5 EDBDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000566419535 321229612 /nfs/dbraw/zinc/22/96/12/321229612.db2.gz VAWLEADJVOGAFP-MFKMUULPSA-N 1 2 336.348 1.719 20 5 EDBDLO CC(=O)N1CC(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571105692 321372225 /nfs/dbraw/zinc/37/22/25/321372225.db2.gz LUVUYHJOPSUNQA-OAHLLOKOSA-N 1 2 329.360 1.238 20 5 EDBDLO O=c1c2ccc([N+](=O)[O-])cc2ccn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571208748 321376865 /nfs/dbraw/zinc/37/68/65/321376865.db2.gz HZRVZNKLVIOTFY-GASCZTMLSA-N 1 2 329.356 1.773 20 5 EDBDLO O=c1c2ccc([N+](=O)[O-])cc2ccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571208748 321376866 /nfs/dbraw/zinc/37/68/66/321376866.db2.gz HZRVZNKLVIOTFY-GASCZTMLSA-N 1 2 329.356 1.773 20 5 EDBDLO Cc1cc(F)c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000296796039 444255020 /nfs/dbraw/zinc/25/50/20/444255020.db2.gz QJJRLLOFGPUGFZ-JTQLQIEISA-N 1 2 326.328 1.494 20 5 EDBDLO Cc1cc(F)c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000296796039 444255022 /nfs/dbraw/zinc/25/50/22/444255022.db2.gz QJJRLLOFGPUGFZ-JTQLQIEISA-N 1 2 326.328 1.494 20 5 EDBDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337698312 444359490 /nfs/dbraw/zinc/35/94/90/444359490.db2.gz ZTEVFXPXDUWGTB-CYBMUJFWSA-N 1 2 340.376 1.608 20 5 EDBDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337698312 444359495 /nfs/dbraw/zinc/35/94/95/444359495.db2.gz ZTEVFXPXDUWGTB-CYBMUJFWSA-N 1 2 340.376 1.608 20 5 EDBDLO CNc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000581230859 322151561 /nfs/dbraw/zinc/15/15/61/322151561.db2.gz AEISLJVLZODVSD-GFCCVEGCSA-N 1 2 336.392 1.429 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342130875 444525077 /nfs/dbraw/zinc/52/50/77/444525077.db2.gz OVJNPDROMBNITK-UHFFFAOYSA-N 1 2 330.279 1.755 20 5 EDBDLO Cc1[nH]c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2[nH+]1 ZINC000340966780 444605127 /nfs/dbraw/zinc/60/51/27/444605127.db2.gz DMHBIRINBYUHNP-UHFFFAOYSA-N 1 2 327.300 1.580 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000342500850 444719288 /nfs/dbraw/zinc/71/92/88/444719288.db2.gz DEGIFRVCLNUMFO-WCBMZHEXSA-N 1 2 333.435 1.726 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000342500850 444719293 /nfs/dbraw/zinc/71/92/93/444719293.db2.gz DEGIFRVCLNUMFO-WCBMZHEXSA-N 1 2 333.435 1.726 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000344116048 444788951 /nfs/dbraw/zinc/78/89/51/444788951.db2.gz AUJKDTJTOZLCJV-VXGBXAGGSA-N 1 2 337.376 1.635 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000344116048 444788956 /nfs/dbraw/zinc/78/89/56/444788956.db2.gz AUJKDTJTOZLCJV-VXGBXAGGSA-N 1 2 337.376 1.635 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000619154023 450418412 /nfs/dbraw/zinc/41/84/12/450418412.db2.gz RWAHSCADPOIGTL-GASCZTMLSA-N 1 2 333.388 1.795 20 5 EDBDLO Cc1noc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000344195457 444833983 /nfs/dbraw/zinc/83/39/83/444833983.db2.gz KVBUDFIJROFHJP-CQSZACIVSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1noc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000344195457 444833986 /nfs/dbraw/zinc/83/39/86/444833986.db2.gz KVBUDFIJROFHJP-CQSZACIVSA-N 1 2 347.375 1.654 20 5 EDBDLO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H](C)[NH+]1CCOCC1 ZINC000342937942 444953596 /nfs/dbraw/zinc/95/35/96/444953596.db2.gz JPLCWAWGEZGMTL-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO Cn1c(C(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000344433377 444967254 /nfs/dbraw/zinc/96/72/54/444967254.db2.gz WEFTYTNAXRAIMW-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000339190640 445081425 /nfs/dbraw/zinc/08/14/25/445081425.db2.gz VANFEBGFVCZWCB-BXUZGUMPSA-N 1 2 334.376 1.522 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000339190640 445081428 /nfs/dbraw/zinc/08/14/28/445081428.db2.gz VANFEBGFVCZWCB-BXUZGUMPSA-N 1 2 334.376 1.522 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000345223859 445174273 /nfs/dbraw/zinc/17/42/73/445174273.db2.gz BLQFYOZFGHNFIX-UHFFFAOYSA-N 1 2 336.373 1.689 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000330789775 445142371 /nfs/dbraw/zinc/14/23/71/445142371.db2.gz AGNIIMFTWRLMAV-DGCLKSJQSA-N 1 2 337.376 1.218 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000330789775 445142376 /nfs/dbraw/zinc/14/23/76/445142376.db2.gz AGNIIMFTWRLMAV-DGCLKSJQSA-N 1 2 337.376 1.218 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+]2CC[S@@](=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330819755 445153450 /nfs/dbraw/zinc/15/34/50/445153450.db2.gz CTIOCMXZHCDUCR-BSNNYGBQSA-N 1 2 339.417 1.685 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+]2CC[S@@](=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330819755 445153452 /nfs/dbraw/zinc/15/34/52/445153452.db2.gz CTIOCMXZHCDUCR-BSNNYGBQSA-N 1 2 339.417 1.685 20 5 EDBDLO CC(C)c1nnc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000348413796 445283010 /nfs/dbraw/zinc/28/30/10/445283010.db2.gz SJLFNUPYTMLBMT-NSHDSACASA-N 1 2 336.352 1.371 20 5 EDBDLO CC(C)c1nnc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000348413796 445283013 /nfs/dbraw/zinc/28/30/13/445283013.db2.gz SJLFNUPYTMLBMT-NSHDSACASA-N 1 2 336.352 1.371 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000351880443 445352107 /nfs/dbraw/zinc/35/21/07/445352107.db2.gz KFPLMCUGGRRSEI-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000351880443 445352112 /nfs/dbraw/zinc/35/21/12/445352112.db2.gz KFPLMCUGGRRSEI-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971749 445409324 /nfs/dbraw/zinc/40/93/24/445409324.db2.gz VSYOOURRHZEURI-UHFFFAOYSA-N 1 2 325.365 1.188 20 5 EDBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971749 445409329 /nfs/dbraw/zinc/40/93/29/445409329.db2.gz VSYOOURRHZEURI-UHFFFAOYSA-N 1 2 325.365 1.188 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000359829668 445449844 /nfs/dbraw/zinc/44/98/44/445449844.db2.gz GOPKMHPIGKKGFP-GFCCVEGCSA-N 1 2 329.316 1.261 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000362679632 445496020 /nfs/dbraw/zinc/49/60/20/445496020.db2.gz FTLRMYMMSHOGKP-CYBMUJFWSA-N 1 2 346.391 1.185 20 5 EDBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000362679632 445496025 /nfs/dbraw/zinc/49/60/25/445496025.db2.gz FTLRMYMMSHOGKP-CYBMUJFWSA-N 1 2 346.391 1.185 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000357242863 445502293 /nfs/dbraw/zinc/50/22/93/445502293.db2.gz WCWVICMBVSHXIK-UHFFFAOYSA-N 1 2 325.390 1.443 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000357242863 445502294 /nfs/dbraw/zinc/50/22/94/445502294.db2.gz WCWVICMBVSHXIK-UHFFFAOYSA-N 1 2 325.390 1.443 20 5 EDBDLO CCc1cc(NC[C@@](C)(O)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000360108861 445572449 /nfs/dbraw/zinc/57/24/49/445572449.db2.gz SNIWZYHWFGSMSK-MRXNPFEDSA-N 1 2 332.360 1.191 20 5 EDBDLO COc1cc(C[N@H+](C)CCNC(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000350047811 445756671 /nfs/dbraw/zinc/75/66/71/445756671.db2.gz JVJWVBVCPXCINE-UHFFFAOYSA-N 1 2 340.380 1.315 20 5 EDBDLO COc1cc(C[N@@H+](C)CCNC(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000350047811 445756673 /nfs/dbraw/zinc/75/66/73/445756673.db2.gz JVJWVBVCPXCINE-UHFFFAOYSA-N 1 2 340.380 1.315 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000350939134 445954701 /nfs/dbraw/zinc/95/47/01/445954701.db2.gz LODYUJDGWHKOBZ-VHSXEESVSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000350939134 445954707 /nfs/dbraw/zinc/95/47/07/445954707.db2.gz LODYUJDGWHKOBZ-VHSXEESVSA-N 1 2 347.824 1.961 20 5 EDBDLO C/C=C\C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354179331 445975341 /nfs/dbraw/zinc/97/53/41/445975341.db2.gz CEAHZPLGQHXJOM-XQJDBVBESA-N 1 2 330.344 1.837 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000356794062 446026561 /nfs/dbraw/zinc/02/65/61/446026561.db2.gz MOXIADJBHLCMME-GHMZBOCLSA-N 1 2 327.406 1.527 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000356794062 446026567 /nfs/dbraw/zinc/02/65/67/446026567.db2.gz MOXIADJBHLCMME-GHMZBOCLSA-N 1 2 327.406 1.527 20 5 EDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000366248619 446105023 /nfs/dbraw/zinc/10/50/23/446105023.db2.gz ZQZVDHPVECSWBY-GFCCVEGCSA-N 1 2 329.360 1.818 20 5 EDBDLO C[C@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000354342996 446127282 /nfs/dbraw/zinc/12/72/82/446127282.db2.gz ZVQLVZGVFXQBAO-IUCAKERBSA-N 1 2 333.435 1.954 20 5 EDBDLO C[C@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000354342996 446127285 /nfs/dbraw/zinc/12/72/85/446127285.db2.gz ZVQLVZGVFXQBAO-IUCAKERBSA-N 1 2 333.435 1.954 20 5 EDBDLO Cc1nc([N+](=O)[O-])c(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)n1C ZINC000351526959 446127961 /nfs/dbraw/zinc/12/79/61/446127961.db2.gz YDXIPOIFWPQYER-UHFFFAOYSA-N 1 2 343.347 1.810 20 5 EDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366540477 446255566 /nfs/dbraw/zinc/25/55/66/446255566.db2.gz ZJMSXGNMGLMYPE-OAHLLOKOSA-N 1 2 348.403 1.599 20 5 EDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366540477 446255569 /nfs/dbraw/zinc/25/55/69/446255569.db2.gz ZJMSXGNMGLMYPE-OAHLLOKOSA-N 1 2 348.403 1.599 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CNc2c([N+](=O)[O-])ncn2C)cn1 ZINC000359631716 446328471 /nfs/dbraw/zinc/32/84/71/446328471.db2.gz BBEXGSDNHFVYCP-VXGBXAGGSA-N 1 2 337.359 1.086 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@H](F)C[C@@H]2CNc2c([N+](=O)[O-])ncn2C)cn1 ZINC000359631716 446328476 /nfs/dbraw/zinc/32/84/76/446328476.db2.gz BBEXGSDNHFVYCP-VXGBXAGGSA-N 1 2 337.359 1.086 20 5 EDBDLO COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000365786494 446342978 /nfs/dbraw/zinc/34/29/78/446342978.db2.gz OHJJVDVODYDQAZ-WCQYABFASA-N 1 2 349.387 1.526 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2=O)CC1 ZINC000366663430 446298996 /nfs/dbraw/zinc/29/89/96/446298996.db2.gz KPETZFMXWOJOTH-GFCCVEGCSA-N 1 2 347.371 1.951 20 5 EDBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000411471648 446557624 /nfs/dbraw/zinc/55/76/24/446557624.db2.gz FUCUFRXXPCYGCT-GHMZBOCLSA-N 1 2 345.407 2.148 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1C ZINC000420444473 446620186 /nfs/dbraw/zinc/62/01/86/446620186.db2.gz RMQMSCSLGVZSAU-CQSZACIVSA-N 1 2 345.396 1.534 20 5 EDBDLO CC[N@@H+]1CCO[C@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)C1 ZINC000420491157 446652726 /nfs/dbraw/zinc/65/27/26/446652726.db2.gz FRYFTYKIXJENRB-AWEZNQCLSA-N 1 2 348.359 1.970 20 5 EDBDLO CC[N@H+]1CCO[C@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)C1 ZINC000420491157 446652730 /nfs/dbraw/zinc/65/27/30/446652730.db2.gz FRYFTYKIXJENRB-AWEZNQCLSA-N 1 2 348.359 1.970 20 5 EDBDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000371104258 446631198 /nfs/dbraw/zinc/63/11/98/446631198.db2.gz NYUGBGXVMVTEKJ-QWHCGFSZSA-N 1 2 336.352 1.071 20 5 EDBDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000371104258 446631202 /nfs/dbraw/zinc/63/12/02/446631202.db2.gz NYUGBGXVMVTEKJ-QWHCGFSZSA-N 1 2 336.352 1.071 20 5 EDBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000420588463 446691862 /nfs/dbraw/zinc/69/18/62/446691862.db2.gz QMIJSIHODBATQI-UHFFFAOYSA-N 1 2 341.371 1.411 20 5 EDBDLO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000420608760 446699696 /nfs/dbraw/zinc/69/96/96/446699696.db2.gz JDSLPJKJSJQKCI-NSHDSACASA-N 1 2 327.344 1.780 20 5 EDBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000372297864 447035269 /nfs/dbraw/zinc/03/52/69/447035269.db2.gz KUPQILIDTQBYRT-AWEZNQCLSA-N 1 2 342.355 1.059 20 5 EDBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000372297864 447035277 /nfs/dbraw/zinc/03/52/77/447035277.db2.gz KUPQILIDTQBYRT-AWEZNQCLSA-N 1 2 342.355 1.059 20 5 EDBDLO O=C(C[N@@H+]1CCCC[C@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000375830201 447086205 /nfs/dbraw/zinc/08/62/05/447086205.db2.gz JIEKFTFRNSSXIU-ZDUSSCGKSA-N 1 2 344.375 1.680 20 5 EDBDLO O=C(C[N@H+]1CCCC[C@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000375830201 447086209 /nfs/dbraw/zinc/08/62/09/447086209.db2.gz JIEKFTFRNSSXIU-ZDUSSCGKSA-N 1 2 344.375 1.680 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000368888940 447183066 /nfs/dbraw/zinc/18/30/66/447183066.db2.gz NTRRQQGLBNGVDM-GFCCVEGCSA-N 1 2 346.347 1.080 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000368888940 447183072 /nfs/dbraw/zinc/18/30/72/447183072.db2.gz NTRRQQGLBNGVDM-GFCCVEGCSA-N 1 2 346.347 1.080 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372615940 447185410 /nfs/dbraw/zinc/18/54/10/447185410.db2.gz BJCIDVPLGWXPJT-BDJLRTHQSA-N 1 2 348.359 1.496 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372615940 447185416 /nfs/dbraw/zinc/18/54/16/447185416.db2.gz BJCIDVPLGWXPJT-BDJLRTHQSA-N 1 2 348.359 1.496 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000421772915 447246474 /nfs/dbraw/zinc/24/64/74/447246474.db2.gz OWTGAVFDYBPUBZ-UHFFFAOYSA-N 1 2 343.387 1.893 20 5 EDBDLO CCN1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1=O ZINC000450786164 447575849 /nfs/dbraw/zinc/57/58/49/447575849.db2.gz GPLDBFONJNACTO-CQSZACIVSA-N 1 2 348.403 1.460 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1C ZINC000408084965 447626882 /nfs/dbraw/zinc/62/68/82/447626882.db2.gz VOSNMHGBCIGGIW-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO 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COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCOC1 ZINC000853508488 595774975 /nfs/dbraw/zinc/77/49/75/595774975.db2.gz GVFLTYRTGGVWRM-ZDUSSCGKSA-N 1 2 347.375 1.548 20 5 EDBDLO COCC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCOC1 ZINC000853508488 595774978 /nfs/dbraw/zinc/77/49/78/595774978.db2.gz GVFLTYRTGGVWRM-ZDUSSCGKSA-N 1 2 347.375 1.548 20 5 EDBDLO CCc1cc(NC[C@@H]2COCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000853686679 595855154 /nfs/dbraw/zinc/85/51/54/595855154.db2.gz KWABMTYLMOIJDV-CQSZACIVSA-N 1 2 330.344 1.821 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2COCC[N@@H+]2C)cc1Cl ZINC000858770341 595886483 /nfs/dbraw/zinc/88/64/83/595886483.db2.gz QEAMTBHKNHGEDZ-VIFPVBQESA-N 1 2 343.767 1.777 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2COCC[N@H+]2C)cc1Cl ZINC000858770341 595886486 /nfs/dbraw/zinc/88/64/86/595886486.db2.gz QEAMTBHKNHGEDZ-VIFPVBQESA-N 1 2 343.767 1.777 20 5 EDBDLO Cc1noc(CN2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000851851597 595947817 /nfs/dbraw/zinc/94/78/17/595947817.db2.gz PXXBFCAGOXULPB-VIFPVBQESA-N 1 2 325.394 1.500 20 5 EDBDLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869861 595955807 /nfs/dbraw/zinc/95/58/07/595955807.db2.gz UDUMSANZGDPIFD-OAHLLOKOSA-N 1 2 347.371 1.117 20 5 EDBDLO COC(=O)CCN1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869861 595955809 /nfs/dbraw/zinc/95/58/09/595955809.db2.gz UDUMSANZGDPIFD-OAHLLOKOSA-N 1 2 347.371 1.117 20 5 EDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852438599 596162803 /nfs/dbraw/zinc/16/28/03/596162803.db2.gz UJZMOUMWYXUPKR-LBPRGKRZSA-N 1 2 336.304 1.530 20 5 EDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852438599 596162806 /nfs/dbraw/zinc/16/28/06/596162806.db2.gz UJZMOUMWYXUPKR-LBPRGKRZSA-N 1 2 336.304 1.530 20 5 EDBDLO COC(=O)N(C)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000852570187 596200637 /nfs/dbraw/zinc/20/06/37/596200637.db2.gz JENUJDYFUOCRTP-UHFFFAOYSA-N 1 2 338.364 1.472 20 5 EDBDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000852570187 596200640 /nfs/dbraw/zinc/20/06/40/596200640.db2.gz JENUJDYFUOCRTP-UHFFFAOYSA-N 1 2 338.364 1.472 20 5 EDBDLO C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000119160210 596443233 /nfs/dbraw/zinc/44/32/33/596443233.db2.gz BVUGVJXTSSYIOC-OQPBUACISA-N 1 2 329.303 1.322 20 5 EDBDLO C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000119160210 596443236 /nfs/dbraw/zinc/44/32/36/596443236.db2.gz BVUGVJXTSSYIOC-OQPBUACISA-N 1 2 329.303 1.322 20 5 EDBDLO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000865179414 596502814 /nfs/dbraw/zinc/50/28/14/596502814.db2.gz PZRHDTOGRRAGKL-RYUDHWBXSA-N 1 2 339.367 1.502 20 5 EDBDLO O=C(OCC[NH+]1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869811024 596644668 /nfs/dbraw/zinc/64/46/68/596644668.db2.gz NBASKBZBMFIIPA-UHFFFAOYSA-N 1 2 334.372 1.892 20 5 EDBDLO COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])cn3C)CC[NH2+]2)c1 ZINC000870148031 596773347 /nfs/dbraw/zinc/77/33/47/596773347.db2.gz KVSUEDJFGPERQD-OAHLLOKOSA-N 1 2 344.371 1.729 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000866135398 596800436 /nfs/dbraw/zinc/80/04/36/596800436.db2.gz QMTZVFFNXOFMOY-ZDUSSCGKSA-N 1 2 341.371 1.953 20 5 EDBDLO CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])Cc2ccc[nH+]c21 ZINC000872295456 596872580 /nfs/dbraw/zinc/87/25/80/596872580.db2.gz UCLZPYGIJPNJSM-UHFFFAOYSA-N 1 2 342.355 1.847 20 5 EDBDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000866499842 596893873 /nfs/dbraw/zinc/89/38/73/596893873.db2.gz QRZHLRAPANRYQJ-OWOJBTEDSA-N 1 2 339.779 1.753 20 5 EDBDLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000872669424 597023406 /nfs/dbraw/zinc/02/34/06/597023406.db2.gz VXSCVUINBOTMRU-OAHLLOKOSA-N 1 2 340.380 1.429 20 5 EDBDLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000872669424 597023409 /nfs/dbraw/zinc/02/34/09/597023409.db2.gz VXSCVUINBOTMRU-OAHLLOKOSA-N 1 2 340.380 1.429 20 5 EDBDLO Cc1cccc(C(=O)NC2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000872688245 597032547 /nfs/dbraw/zinc/03/25/47/597032547.db2.gz AWIAVPWMFQVGKY-UHFFFAOYSA-N 1 2 343.387 1.952 20 5 EDBDLO O=[N+]([O-])c1cnc(NCCCNc2cccc[nH+]2)c(-c2nn[nH]n2)c1 ZINC000738374248 598500195 /nfs/dbraw/zinc/50/01/95/598500195.db2.gz LRETYIDXYOBENK-UHFFFAOYSA-N 1 2 341.335 1.479 20 5 EDBDLO COC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181879277 234364620 /nfs/dbraw/zinc/36/46/20/234364620.db2.gz ANTGYGGOOVSDRJ-CYBMUJFWSA-N 1 2 342.417 1.727 20 5 EDBDLO COC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181879277 234364625 /nfs/dbraw/zinc/36/46/25/234364625.db2.gz ANTGYGGOOVSDRJ-CYBMUJFWSA-N 1 2 342.417 1.727 20 5 EDBDLO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000098102368 138297737 /nfs/dbraw/zinc/29/77/37/138297737.db2.gz RMIGISUPJIAAIX-UHFFFAOYSA-N 1 2 349.416 1.486 20 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C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000028940644 201064311 /nfs/dbraw/zinc/06/43/11/201064311.db2.gz FMSXIZBRQNRTNE-TXEJJXNPSA-N 1 2 337.376 1.530 20 5 EDBDLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000370548764 284024355 /nfs/dbraw/zinc/02/43/55/284024355.db2.gz WSSXNXIRUOGGLY-UKRRQHHQSA-N 1 2 334.376 1.363 20 5 EDBDLO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000104938205 204127943 /nfs/dbraw/zinc/12/79/43/204127943.db2.gz UFLSPUJEPFAMGW-RYUDHWBXSA-N 1 2 336.392 1.324 20 5 EDBDLO O=C(C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000109757500 204291174 /nfs/dbraw/zinc/29/11/74/204291174.db2.gz RIRMNQYBGANGLP-AAEUAGOBSA-N 1 2 347.293 1.921 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000109757500 204291179 /nfs/dbraw/zinc/29/11/79/204291179.db2.gz RIRMNQYBGANGLP-AAEUAGOBSA-N 1 2 347.293 1.921 20 5 EDBDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000016517302 211910894 /nfs/dbraw/zinc/91/08/94/211910894.db2.gz IRJFKLHGMIGLEI-LLVKDONJSA-N 1 2 335.360 1.807 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000266007083 248023389 /nfs/dbraw/zinc/02/33/89/248023389.db2.gz AHEPYRGTIROAGI-DGCLKSJQSA-N 1 2 330.344 1.935 20 5 EDBDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000175024022 207085407 /nfs/dbraw/zinc/08/54/07/207085407.db2.gz FMGXWVMGVDABKN-UHFFFAOYSA-N 1 2 334.376 1.381 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000415977294 251041846 /nfs/dbraw/zinc/04/18/46/251041846.db2.gz SEFCYCYGZDOMPR-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO Cc1ccc(C(=O)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176209291 207201977 /nfs/dbraw/zinc/20/19/77/207201977.db2.gz DZVFSWWQZLRAGW-UHFFFAOYSA-N 1 2 343.387 1.558 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000347328515 533382651 /nfs/dbraw/zinc/38/26/51/533382651.db2.gz ATKAKSONZOWELN-ROOCWEIGSA-N 1 2 343.387 1.991 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000347328515 533382656 /nfs/dbraw/zinc/38/26/56/533382656.db2.gz ATKAKSONZOWELN-ROOCWEIGSA-N 1 2 343.387 1.991 20 5 EDBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000268233230 139745104 /nfs/dbraw/zinc/74/51/04/139745104.db2.gz FZUDPMJZXUXJOJ-GXFFZTMASA-N 1 2 330.348 1.373 20 5 EDBDLO CCc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)cc1[N+](=O)[O-] ZINC000270715622 140154284 /nfs/dbraw/zinc/15/42/84/140154284.db2.gz HFEGDMZBOYOQQQ-ZDUSSCGKSA-N 1 2 346.343 1.394 20 5 EDBDLO CCc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)cc1[N+](=O)[O-] ZINC000270715622 140154285 /nfs/dbraw/zinc/15/42/85/140154285.db2.gz HFEGDMZBOYOQQQ-ZDUSSCGKSA-N 1 2 346.343 1.394 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332495988 141191001 /nfs/dbraw/zinc/19/10/01/141191001.db2.gz DXUOUIIWIUUANB-JKSUJKDBSA-N 1 2 333.388 1.757 20 5 EDBDLO 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CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000357101320 445429015 /nfs/dbraw/zinc/42/90/15/445429015.db2.gz YQYDGCXTSBGUOK-GHMZBOCLSA-N 1 2 348.363 1.767 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359831745 445450853 /nfs/dbraw/zinc/45/08/53/445450853.db2.gz BVVZMKATVNPZGY-VXGBXAGGSA-N 1 2 325.413 1.665 20 5 EDBDLO COc1c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000357161294 445461165 /nfs/dbraw/zinc/46/11/65/445461165.db2.gz RXVDWLYRHHNMCR-LBPRGKRZSA-N 1 2 337.376 1.396 20 5 EDBDLO Cc1cc(NC(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)no1 ZINC000352681489 445547842 /nfs/dbraw/zinc/54/78/42/445547842.db2.gz XQWHWEOOMKCYRT-UHFFFAOYSA-N 1 2 346.343 2.114 20 5 EDBDLO Cc1cc(NC(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)no1 ZINC000352681489 445547845 /nfs/dbraw/zinc/54/78/45/445547845.db2.gz XQWHWEOOMKCYRT-UHFFFAOYSA-N 1 2 346.343 2.114 20 5 EDBDLO O=C(NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000362942047 445619229 /nfs/dbraw/zinc/61/92/29/445619229.db2.gz NHDCQKKHVLZZJH-FZMZJTMJSA-N 1 2 329.360 1.313 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363105221 445679955 /nfs/dbraw/zinc/67/99/55/445679955.db2.gz ULSHIOZNUBBIKR-NEPJUHHUSA-N 1 2 345.359 1.064 20 5 EDBDLO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000363105221 445679959 /nfs/dbraw/zinc/67/99/59/445679959.db2.gz ULSHIOZNUBBIKR-NEPJUHHUSA-N 1 2 345.359 1.064 20 5 EDBDLO CC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000349804965 445683816 /nfs/dbraw/zinc/68/38/16/445683816.db2.gz UXZYSMBWDWXHIX-ZDUSSCGKSA-N 1 2 343.343 1.131 20 5 EDBDLO COc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1[N+](=O)[O-] ZINC000360307361 445687706 /nfs/dbraw/zinc/68/77/06/445687706.db2.gz KBRQJMUDFVCZDL-UHFFFAOYSA-N 1 2 349.387 1.475 20 5 EDBDLO CO[C@]1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000353691609 445710074 /nfs/dbraw/zinc/71/00/74/445710074.db2.gz UCHKDGGTQGMMFD-WBVHZDCISA-N 1 2 346.387 1.813 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000363537464 445849426 /nfs/dbraw/zinc/84/94/26/445849426.db2.gz YTFNTRXHWADHTB-SMDDNHRTSA-N 1 2 327.406 1.669 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000363537464 445849429 /nfs/dbraw/zinc/84/94/29/445849429.db2.gz YTFNTRXHWADHTB-SMDDNHRTSA-N 1 2 327.406 1.669 20 5 EDBDLO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)C1 ZINC000369345108 446088352 /nfs/dbraw/zinc/08/83/52/446088352.db2.gz SROWURNTOKESDX-CQSZACIVSA-N 1 2 348.403 1.152 20 5 EDBDLO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)C1 ZINC000369345108 446088358 /nfs/dbraw/zinc/08/83/58/446088358.db2.gz SROWURNTOKESDX-CQSZACIVSA-N 1 2 348.403 1.152 20 5 EDBDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365263177 446110551 /nfs/dbraw/zinc/11/05/51/446110551.db2.gz CRLSCEBOIGFUNU-ZYHUDNBSSA-N 1 2 332.368 1.511 20 5 EDBDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365263177 446110554 /nfs/dbraw/zinc/11/05/54/446110554.db2.gz CRLSCEBOIGFUNU-ZYHUDNBSSA-N 1 2 332.368 1.511 20 5 EDBDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000373318524 446162667 /nfs/dbraw/zinc/16/26/67/446162667.db2.gz QOYVCFFHOBTECA-GFCCVEGCSA-N 1 2 329.360 1.943 20 5 EDBDLO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000373491341 446236116 /nfs/dbraw/zinc/23/61/16/446236116.db2.gz YKCCMYUKCCIORI-UHFFFAOYSA-N 1 2 337.376 1.485 20 5 EDBDLO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000373491341 446236117 /nfs/dbraw/zinc/23/61/17/446236117.db2.gz YKCCMYUKCCIORI-UHFFFAOYSA-N 1 2 337.376 1.485 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000365627334 446279805 /nfs/dbraw/zinc/27/98/05/446279805.db2.gz OEHNGTYJCWUVTG-LLVKDONJSA-N 1 2 329.360 1.930 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366720785 446322376 /nfs/dbraw/zinc/32/23/76/446322376.db2.gz PIXMHLZIKHQNJH-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366720785 446322381 /nfs/dbraw/zinc/32/23/81/446322381.db2.gz PIXMHLZIKHQNJH-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000370548762 446327686 /nfs/dbraw/zinc/32/76/86/446327686.db2.gz WSSXNXIRUOGGLY-DZGCQCFKSA-N 1 2 334.376 1.363 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000374852616 446418276 /nfs/dbraw/zinc/41/82/76/446418276.db2.gz UPQWYQMIQJESND-UHFFFAOYSA-N 1 2 333.323 1.785 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371151213 446657627 /nfs/dbraw/zinc/65/76/27/446657627.db2.gz LKHKZMMTADSWBW-GFCCVEGCSA-N 1 2 347.371 1.951 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000368293332 446764589 /nfs/dbraw/zinc/76/45/89/446764589.db2.gz HRZQOLZYBDUJII-NSHDSACASA-N 1 2 340.336 1.983 20 5 EDBDLO Cc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000454147687 446791153 /nfs/dbraw/zinc/79/11/53/446791153.db2.gz NYVLNRVBFYINOP-OKILXGFUSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000454147687 446791156 /nfs/dbraw/zinc/79/11/56/446791156.db2.gz NYVLNRVBFYINOP-OKILXGFUSA-N 1 2 334.376 1.888 20 5 EDBDLO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000371492869 446889587 /nfs/dbraw/zinc/88/95/87/446889587.db2.gz JYEFLYJHTAOWQJ-ZJUUUORDSA-N 1 2 331.419 1.371 20 5 EDBDLO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000371492869 446889594 /nfs/dbraw/zinc/88/95/94/446889594.db2.gz JYEFLYJHTAOWQJ-ZJUUUORDSA-N 1 2 331.419 1.371 20 5 EDBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444689515 447121039 /nfs/dbraw/zinc/12/10/39/447121039.db2.gz NTRBFGIHEIJAIL-LLVKDONJSA-N 1 2 344.375 1.507 20 5 EDBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444689515 447121041 /nfs/dbraw/zinc/12/10/41/447121041.db2.gz NTRBFGIHEIJAIL-LLVKDONJSA-N 1 2 344.375 1.507 20 5 EDBDLO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1c1ccccc1 ZINC000375936384 447161362 /nfs/dbraw/zinc/16/13/62/447161362.db2.gz WTXNHXSDYFRUSP-UONOGXRCSA-N 1 2 327.340 1.867 20 5 EDBDLO Cc1cc(N2C[C@H](O)[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413423293 447173879 /nfs/dbraw/zinc/17/38/79/447173879.db2.gz ZJCPZBUWGMIPRX-OCCSQVGLSA-N 1 2 330.344 1.150 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458699765 447455380 /nfs/dbraw/zinc/45/53/80/447455380.db2.gz CMRVOASUPRHFKN-UHFFFAOYSA-N 1 2 343.347 1.687 20 5 EDBDLO COCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000426536928 447466894 /nfs/dbraw/zinc/46/68/94/447466894.db2.gz GOGXUCRDTLLKHC-ZDUSSCGKSA-N 1 2 340.376 1.849 20 5 EDBDLO COCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000426536928 447466898 /nfs/dbraw/zinc/46/68/98/447466898.db2.gz GOGXUCRDTLLKHC-ZDUSSCGKSA-N 1 2 340.376 1.849 20 5 EDBDLO CN(C)c1nc(NCCn2cc([N+](=O)[O-])cn2)[nH+]c2ccccc21 ZINC000450398203 447477090 /nfs/dbraw/zinc/47/70/90/447477090.db2.gz XHMSAYASIGLMBU-UHFFFAOYSA-N 1 2 327.348 1.913 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408338441 447652182 /nfs/dbraw/zinc/65/21/82/447652182.db2.gz ZNGMLZNXZBZIDQ-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408338441 447652186 /nfs/dbraw/zinc/65/21/86/447652186.db2.gz ZNGMLZNXZBZIDQ-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO COc1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000459504212 447690171 /nfs/dbraw/zinc/69/01/71/447690171.db2.gz HPHVJTKALLCUKB-UHFFFAOYSA-N 1 2 344.375 1.419 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c([N+](=O)[O-])c1 ZINC000487088478 447826998 /nfs/dbraw/zinc/82/69/98/447826998.db2.gz REMIGRCWDVONFA-UHFFFAOYSA-N 1 2 348.384 1.943 20 5 EDBDLO Cc1nc(N)c(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000576281303 448018884 /nfs/dbraw/zinc/01/88/84/448018884.db2.gz BKCQLLIVQRDRRH-UHFFFAOYSA-N 1 2 329.360 1.869 20 5 EDBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000576356916 448036497 /nfs/dbraw/zinc/03/64/97/448036497.db2.gz IWPSCRHOLRCOMT-INIZCTEOSA-N 1 2 343.343 1.499 20 5 EDBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000576356916 448036502 /nfs/dbraw/zinc/03/65/02/448036502.db2.gz IWPSCRHOLRCOMT-INIZCTEOSA-N 1 2 343.343 1.499 20 5 EDBDLO CNc1nccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000557449378 448183631 /nfs/dbraw/zinc/18/36/31/448183631.db2.gz SFUAIMBACPISFS-UHFFFAOYSA-N 1 2 348.388 1.728 20 5 EDBDLO CNc1nccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000557449378 448183637 /nfs/dbraw/zinc/18/36/37/448183637.db2.gz SFUAIMBACPISFS-UHFFFAOYSA-N 1 2 348.388 1.728 20 5 EDBDLO COc1cc(C(=O)NCc2c[nH+]c(C)nc2N)cc([N+](=O)[O-])c1C ZINC000556841648 448163868 /nfs/dbraw/zinc/16/38/68/448163868.db2.gz DIQFPPZKKORKAZ-UHFFFAOYSA-N 1 2 331.332 1.522 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573339285 448604150 /nfs/dbraw/zinc/60/41/50/448604150.db2.gz KHBUAMOVOZKMHX-UHFFFAOYSA-N 1 2 331.332 1.532 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573339285 448604153 /nfs/dbraw/zinc/60/41/53/448604153.db2.gz KHBUAMOVOZKMHX-UHFFFAOYSA-N 1 2 331.332 1.532 20 5 EDBDLO Cc1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000542805681 448721044 /nfs/dbraw/zinc/72/10/44/448721044.db2.gz HQAXVOPHRZWWPG-UHFFFAOYSA-N 1 2 344.356 1.870 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000592206561 448744822 /nfs/dbraw/zinc/74/48/22/448744822.db2.gz MOCVNFDZHQOKSK-SCZZXKLOSA-N 1 2 330.287 1.229 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000592206561 448744826 /nfs/dbraw/zinc/74/48/26/448744826.db2.gz MOCVNFDZHQOKSK-SCZZXKLOSA-N 1 2 330.287 1.229 20 5 EDBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1)CCCC2 ZINC000585792842 448775042 /nfs/dbraw/zinc/77/50/42/448775042.db2.gz KKABBTRLWWYXJD-ZDUSSCGKSA-N 1 2 344.375 1.908 20 5 EDBDLO CC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000592868028 449027450 /nfs/dbraw/zinc/02/74/50/449027450.db2.gz YDFHJZASGMQYBH-LLVKDONJSA-N 1 2 346.343 1.710 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000522482556 449082113 /nfs/dbraw/zinc/08/21/13/449082113.db2.gz TXOSBHRFJYKJOK-UHFFFAOYSA-N 1 2 336.311 1.773 20 5 EDBDLO COC(=O)[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H](C)CC1 ZINC000595707787 449126489 /nfs/dbraw/zinc/12/64/89/449126489.db2.gz UAZHUIYTCGTOOV-YGUOUDRMSA-N 1 2 337.376 1.468 20 5 EDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593583060 449089835 /nfs/dbraw/zinc/08/98/35/449089835.db2.gz YLAOOCWOECTNIO-UHFFFAOYSA-N 1 2 341.371 1.650 20 5 EDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593008211 449101026 /nfs/dbraw/zinc/10/10/26/449101026.db2.gz RJKGVUFXQJCGAX-AWEZNQCLSA-N 1 2 335.360 1.482 20 5 EDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593008211 449101028 /nfs/dbraw/zinc/10/10/28/449101028.db2.gz RJKGVUFXQJCGAX-AWEZNQCLSA-N 1 2 335.360 1.482 20 5 EDBDLO CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595661740 449104318 /nfs/dbraw/zinc/10/43/18/449104318.db2.gz LEOKXZGVVCZJCY-LRDDRELGSA-N 1 2 337.376 1.395 20 5 EDBDLO CO[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595661740 449104322 /nfs/dbraw/zinc/10/43/22/449104322.db2.gz LEOKXZGVVCZJCY-LRDDRELGSA-N 1 2 337.376 1.395 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)CO1 ZINC000598000483 449186914 /nfs/dbraw/zinc/18/69/14/449186914.db2.gz VDPFUCOQBZGITR-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)CO1 ZINC000598000483 449186918 /nfs/dbraw/zinc/18/69/18/449186918.db2.gz VDPFUCOQBZGITR-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598000273 449187029 /nfs/dbraw/zinc/18/70/29/449187029.db2.gz YSHPWIUPXQCBOH-MJBXVCDLSA-N 1 2 335.404 1.924 20 5 EDBDLO C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598000273 449187033 /nfs/dbraw/zinc/18/70/33/449187033.db2.gz YSHPWIUPXQCBOH-MJBXVCDLSA-N 1 2 335.404 1.924 20 5 EDBDLO CCC(=O)N1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262633 449241178 /nfs/dbraw/zinc/24/11/78/449241178.db2.gz OOFXKSHFXKTLPL-UHFFFAOYSA-N 1 2 349.387 1.810 20 5 EDBDLO CCC(=O)N1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262633 449241182 /nfs/dbraw/zinc/24/11/82/449241182.db2.gz OOFXKSHFXKTLPL-UHFFFAOYSA-N 1 2 349.387 1.810 20 5 EDBDLO COc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] 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335.316 1.345 20 5 EDBDLO COC(=O)[C@@]1(C)CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794631506 580900792 /nfs/dbraw/zinc/90/07/92/580900792.db2.gz CBVBVBNHXKWJFJ-HNNXBMFYSA-N 1 2 335.316 1.345 20 5 EDBDLO C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000892282503 590911663 /nfs/dbraw/zinc/91/16/63/590911663.db2.gz UFWNUEWDOILOJD-GFCCVEGCSA-N 1 2 347.394 1.752 20 5 EDBDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC000893563460 590962518 /nfs/dbraw/zinc/96/25/18/590962518.db2.gz SIVHPXKGRWENPA-INOXOVODSA-N 1 2 348.355 1.787 20 5 EDBDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC000893563460 590962521 /nfs/dbraw/zinc/96/25/21/590962521.db2.gz SIVHPXKGRWENPA-INOXOVODSA-N 1 2 348.355 1.787 20 5 EDBDLO Cn1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C1CC1 ZINC000894801387 591421264 /nfs/dbraw/zinc/42/12/64/591421264.db2.gz IFMVYHHGHWUVFR-UHFFFAOYSA-N 1 2 342.403 1.923 20 5 EDBDLO C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533493 591498875 /nfs/dbraw/zinc/49/88/75/591498875.db2.gz OVMZIEJMAWBOCD-ABAIWWIYSA-N 1 2 338.383 1.027 20 5 EDBDLO C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896533493 591498880 /nfs/dbraw/zinc/49/88/80/591498880.db2.gz OVMZIEJMAWBOCD-ABAIWWIYSA-N 1 2 338.383 1.027 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000908283238 592423555 /nfs/dbraw/zinc/42/35/55/592423555.db2.gz XCAKQFPXFQSAIT-ONEGZZNKSA-N 1 2 335.360 1.820 20 5 EDBDLO CCOC1CC([N@H+](C)CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840071871 593113571 /nfs/dbraw/zinc/11/35/71/593113571.db2.gz DUKYKWCGIOUWAF-PUJMQQBBSA-N 1 2 349.387 1.989 20 5 EDBDLO CCOC1CC([N@@H+](C)CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840071871 593113573 /nfs/dbraw/zinc/11/35/73/593113573.db2.gz DUKYKWCGIOUWAF-PUJMQQBBSA-N 1 2 349.387 1.989 20 5 EDBDLO CC(C)OC[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101324 593124609 /nfs/dbraw/zinc/12/46/09/593124609.db2.gz JWGDWYUGQKXJIR-CYBMUJFWSA-N 1 2 349.343 1.723 20 5 EDBDLO CC(C)[C@H]1C[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCCO1 ZINC000840095344 593172645 /nfs/dbraw/zinc/17/26/45/593172645.db2.gz LDBRYNIBQMZCBJ-CQSZACIVSA-N 1 2 347.371 1.895 20 5 EDBDLO CC(C)[C@H]1C[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCCO1 ZINC000840095344 593172648 /nfs/dbraw/zinc/17/26/48/593172648.db2.gz LDBRYNIBQMZCBJ-CQSZACIVSA-N 1 2 347.371 1.895 20 5 EDBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000802239738 593237720 /nfs/dbraw/zinc/23/77/20/593237720.db2.gz QTPQFAQTUFGSTH-OAHLLOKOSA-N 1 2 348.334 1.981 20 5 EDBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000802239738 593237721 /nfs/dbraw/zinc/23/77/21/593237721.db2.gz QTPQFAQTUFGSTH-OAHLLOKOSA-N 1 2 348.334 1.981 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000839032829 593255969 /nfs/dbraw/zinc/25/59/69/593255969.db2.gz UYVGTNPQRBLOAT-HNNXBMFYSA-N 1 2 347.350 1.380 20 5 EDBDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000839481342 593305586 /nfs/dbraw/zinc/30/55/86/593305586.db2.gz XQOVQEQZNQFBBJ-HZPDHXFCSA-N 1 2 333.388 1.395 20 5 EDBDLO C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@H](C)CO ZINC000839576510 593341950 /nfs/dbraw/zinc/34/19/50/593341950.db2.gz OPRBOTBABKUPLD-NXEZZACHSA-N 1 2 347.209 1.921 20 5 EDBDLO C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@H](C)CO ZINC000839576510 593341952 /nfs/dbraw/zinc/34/19/52/593341952.db2.gz OPRBOTBABKUPLD-NXEZZACHSA-N 1 2 347.209 1.921 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1c[nH+]cn1C ZINC000811846353 593484068 /nfs/dbraw/zinc/48/40/68/593484068.db2.gz RTGUDROVGIGDOS-UHFFFAOYSA-N 1 2 335.276 1.635 20 5 EDBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000840326806 593604211 /nfs/dbraw/zinc/60/42/11/593604211.db2.gz ITJPCNIZSJQNRK-UHFFFAOYSA-N 1 2 335.320 1.692 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])C2 ZINC000822463753 594052708 /nfs/dbraw/zinc/05/27/08/594052708.db2.gz WCVWMBBNWQYRBM-UHFFFAOYSA-N 1 2 341.335 1.003 20 5 EDBDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830136554 594343163 /nfs/dbraw/zinc/34/31/63/594343163.db2.gz ZLCBKNQVGJKLPT-UHFFFAOYSA-N 1 2 328.756 1.255 20 5 EDBDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830136554 594343165 /nfs/dbraw/zinc/34/31/65/594343165.db2.gz ZLCBKNQVGJKLPT-UHFFFAOYSA-N 1 2 328.756 1.255 20 5 EDBDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826690181 594556653 /nfs/dbraw/zinc/55/66/53/594556653.db2.gz PNRAJVBJANDPHX-SJORKVTESA-N 1 2 341.367 1.931 20 5 EDBDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826690181 594556654 /nfs/dbraw/zinc/55/66/54/594556654.db2.gz PNRAJVBJANDPHX-SJORKVTESA-N 1 2 341.367 1.931 20 5 EDBDLO C[N@@H+]1CCn2nc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2C1 ZINC000829467624 594620308 /nfs/dbraw/zinc/62/03/08/594620308.db2.gz TVDUZTQLDUKHNW-UHFFFAOYSA-N 1 2 347.400 1.968 20 5 EDBDLO C[N@H+]1CCn2nc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2C1 ZINC000829467624 594620311 /nfs/dbraw/zinc/62/03/11/594620311.db2.gz TVDUZTQLDUKHNW-UHFFFAOYSA-N 1 2 347.400 1.968 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c32)cc([N+](=O)[O-])c1F ZINC000831737353 594697675 /nfs/dbraw/zinc/69/76/75/594697675.db2.gz CAJDPPVTZRAKLF-SNVBAGLBSA-N 1 2 340.336 1.662 20 5 EDBDLO COc1ncncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843390716 595098040 /nfs/dbraw/zinc/09/80/40/595098040.db2.gz DXHWMTJAPJQTKX-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843433694 595110039 /nfs/dbraw/zinc/11/00/39/595110039.db2.gz GYMLQOOPIKXEJZ-MNOVXSKESA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843433694 595110043 /nfs/dbraw/zinc/11/00/43/595110043.db2.gz GYMLQOOPIKXEJZ-MNOVXSKESA-N 1 2 328.752 1.604 20 5 EDBDLO C[N@H+](CCO)Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000847081017 595361266 /nfs/dbraw/zinc/36/12/66/595361266.db2.gz RXHWQWRKQYIIQI-DGCLKSJQSA-N 1 2 327.768 1.368 20 5 EDBDLO C[N@@H+](CCO)Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000847081017 595361268 /nfs/dbraw/zinc/36/12/68/595361268.db2.gz RXHWQWRKQYIIQI-DGCLKSJQSA-N 1 2 327.768 1.368 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860160125 595600057 /nfs/dbraw/zinc/60/00/57/595600057.db2.gz LYYMCYOLCCMDDO-PSASIEDQSA-N 1 2 339.735 1.292 20 5 EDBDLO O=C(C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860160125 595600059 /nfs/dbraw/zinc/60/00/59/595600059.db2.gz LYYMCYOLCCMDDO-PSASIEDQSA-N 1 2 339.735 1.292 20 5 EDBDLO CC(=O)N[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853517966 595780139 /nfs/dbraw/zinc/78/01/39/595780139.db2.gz IRLBZMXJTHACAV-LBPRGKRZSA-N 1 2 330.348 1.021 20 5 EDBDLO CC(=O)N[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853517966 595780141 /nfs/dbraw/zinc/78/01/41/595780141.db2.gz IRLBZMXJTHACAV-LBPRGKRZSA-N 1 2 330.348 1.021 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853538816 595790559 /nfs/dbraw/zinc/79/05/59/595790559.db2.gz JVPJLRBKBDVHFX-LLVKDONJSA-N 1 2 346.347 1.132 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853538816 595790561 /nfs/dbraw/zinc/79/05/61/595790561.db2.gz JVPJLRBKBDVHFX-LLVKDONJSA-N 1 2 346.347 1.132 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1Br ZINC000853586831 595815611 /nfs/dbraw/zinc/81/56/11/595815611.db2.gz BIIJOFHCOOKANS-RKDXNWHRSA-N 1 2 331.170 1.480 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1Br ZINC000853586831 595815612 /nfs/dbraw/zinc/81/56/12/595815612.db2.gz BIIJOFHCOOKANS-RKDXNWHRSA-N 1 2 331.170 1.480 20 5 EDBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1[N+](=O)[O-] ZINC000852047742 596022305 /nfs/dbraw/zinc/02/23/05/596022305.db2.gz YCNKRWBFYMOYSG-LLVKDONJSA-N 1 2 326.353 1.944 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1[N+](=O)[O-] ZINC000852047742 596022308 /nfs/dbraw/zinc/02/23/08/596022308.db2.gz YCNKRWBFYMOYSG-LLVKDONJSA-N 1 2 326.353 1.944 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3cc(F)ncn3)CC2)cc1 ZINC000852133010 596057031 /nfs/dbraw/zinc/05/70/31/596057031.db2.gz OWGBGIXALMEJFS-AWEZNQCLSA-N 1 2 347.350 1.380 20 5 EDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CC1 ZINC000867831821 596577488 /nfs/dbraw/zinc/57/74/88/596577488.db2.gz WFXNPJYOWRTGSH-UHFFFAOYSA-N 1 2 337.351 1.257 20 5 EDBDLO CO[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)Cc3ccc[nH+]c3N2C1 ZINC000866056555 596773731 /nfs/dbraw/zinc/77/37/31/596773731.db2.gz BUQJDMHOSGQUDL-GJZGRUSLSA-N 1 2 341.371 1.999 20 5 EDBDLO CO[C@H]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])Cc3ccc[nH+]c3N2C1 ZINC000866057818 596774642 /nfs/dbraw/zinc/77/46/42/596774642.db2.gz OLUUMWCPZAAKLL-KBPBESRZSA-N 1 2 341.371 1.999 20 5 EDBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872784527 597066862 /nfs/dbraw/zinc/06/68/62/597066862.db2.gz CQFKMIYVNMGXHS-OKILXGFUSA-N 1 2 342.355 1.354 20 5 EDBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872784527 597066868 /nfs/dbraw/zinc/06/68/68/597066868.db2.gz CQFKMIYVNMGXHS-OKILXGFUSA-N 1 2 342.355 1.354 20 5 EDBDLO CO[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000878969998 597769920 /nfs/dbraw/zinc/76/99/20/597769920.db2.gz HTOQWSWNJPGHLM-CQSZACIVSA-N 1 2 327.312 1.367 20 5 EDBDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000878969998 597769923 /nfs/dbraw/zinc/76/99/23/597769923.db2.gz HTOQWSWNJPGHLM-CQSZACIVSA-N 1 2 327.312 1.367 20 5 EDBDLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000128290695 597878470 /nfs/dbraw/zinc/87/84/70/597878470.db2.gz QHKDEQLFQWIPDR-UHFFFAOYSA-N 1 2 343.405 1.290 20 5 EDBDLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000128290695 597878472 /nfs/dbraw/zinc/87/84/72/597878472.db2.gz QHKDEQLFQWIPDR-UHFFFAOYSA-N 1 2 343.405 1.290 20 5 EDBDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)on1 ZINC001031538833 697223598 /nfs/dbraw/zinc/22/35/98/697223598.db2.gz KBVOZSHOEZXFNX-UHFFFAOYSA-N 1 2 330.344 1.753 20 5 EDBDLO CN(C(=O)C(C)(C)F)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005030105 707159641 /nfs/dbraw/zinc/15/96/41/707159641.db2.gz CTPFZYSYTGPMJL-UHFFFAOYSA-N 1 2 341.387 1.499 20 5 EDBDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000922026837 709452635 /nfs/dbraw/zinc/45/26/35/709452635.db2.gz RROYHXUVYMIZTJ-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000922026837 709452636 /nfs/dbraw/zinc/45/26/36/709452636.db2.gz RROYHXUVYMIZTJ-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000922026736 709452738 /nfs/dbraw/zinc/45/27/38/709452738.db2.gz RNKHINRZUKWPNY-LBPRGKRZSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000922026736 709452739 /nfs/dbraw/zinc/45/27/39/709452739.db2.gz RNKHINRZUKWPNY-LBPRGKRZSA-N 1 2 342.421 1.341 20 5 EDBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1cccnn1 ZINC001003830789 710614308 /nfs/dbraw/zinc/61/43/08/710614308.db2.gz FGDHGUKYLVKMJD-UHFFFAOYSA-N 1 2 347.400 1.841 20 5 EDBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073656519 138220100 /nfs/dbraw/zinc/22/01/00/138220100.db2.gz PIPANLINQZFLDU-UHFFFAOYSA-N 1 2 349.391 1.223 20 5 EDBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073656519 138220101 /nfs/dbraw/zinc/22/01/01/138220101.db2.gz PIPANLINQZFLDU-UHFFFAOYSA-N 1 2 349.391 1.223 20 5 EDBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097676691 138297088 /nfs/dbraw/zinc/29/70/88/138297088.db2.gz QDJFCLKNNDCVQM-UHFFFAOYSA-N 1 2 339.311 1.399 20 5 EDBDLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104693447 138300328 /nfs/dbraw/zinc/30/03/28/138300328.db2.gz FMBBNUGXSASRMH-LLVKDONJSA-N 1 2 330.344 1.613 20 5 EDBDLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104693447 138300329 /nfs/dbraw/zinc/30/03/29/138300329.db2.gz FMBBNUGXSASRMH-LLVKDONJSA-N 1 2 330.344 1.613 20 5 EDBDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028927779 202178797 /nfs/dbraw/zinc/17/87/97/202178797.db2.gz ZFNXGHDSSDPSPF-ZDUSSCGKSA-N 1 2 349.387 1.833 20 5 EDBDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028927779 202178798 /nfs/dbraw/zinc/17/87/98/202178798.db2.gz ZFNXGHDSSDPSPF-ZDUSSCGKSA-N 1 2 349.387 1.833 20 5 EDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186877112 236051146 /nfs/dbraw/zinc/05/11/46/236051146.db2.gz QSAPXLOOBHZJQX-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186877112 236051147 /nfs/dbraw/zinc/05/11/47/236051147.db2.gz QSAPXLOOBHZJQX-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000187699914 236280568 /nfs/dbraw/zinc/28/05/68/236280568.db2.gz FFADHEDKFVTLBF-UHFFFAOYSA-N 1 2 336.392 1.056 20 5 EDBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000185531120 138806069 /nfs/dbraw/zinc/80/60/69/138806069.db2.gz QTBIVEISIMKUIU-RDJZCZTQSA-N 1 2 346.431 1.280 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000450570623 284666505 /nfs/dbraw/zinc/66/65/05/284666505.db2.gz ZZQDXTDQSVYOHQ-ZENOOKHLSA-N 1 2 342.355 1.623 20 5 EDBDLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493451182 255209367 /nfs/dbraw/zinc/20/93/67/255209367.db2.gz BXLUGKPVHOJIDW-UFFNRZRYSA-N 1 2 328.332 1.439 20 5 EDBDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])[C@@H]2C1 ZINC000495935256 255335925 /nfs/dbraw/zinc/33/59/25/255335925.db2.gz NOKAUJFIKHLICO-NWDGAFQWSA-N 1 2 337.380 1.690 20 5 EDBDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])[C@@H]2C1 ZINC000495935256 255335926 /nfs/dbraw/zinc/33/59/26/255335926.db2.gz NOKAUJFIKHLICO-NWDGAFQWSA-N 1 2 337.380 1.690 20 5 EDBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000495992989 255338715 /nfs/dbraw/zinc/33/87/15/255338715.db2.gz PIGJSSLGKGDSKK-QWRGUYRKSA-N 1 2 325.369 1.736 20 5 EDBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000495992989 255338716 /nfs/dbraw/zinc/33/87/16/255338716.db2.gz PIGJSSLGKGDSKK-QWRGUYRKSA-N 1 2 325.369 1.736 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)cn1 ZINC000571500711 306567402 /nfs/dbraw/zinc/56/74/02/306567402.db2.gz OPMSNDAXFOSVBU-UHFFFAOYSA-N 1 2 340.387 1.979 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000331595093 141053956 /nfs/dbraw/zinc/05/39/56/141053956.db2.gz NPNZHIPUUSFPLI-LBPRGKRZSA-N 1 2 333.323 1.254 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)n1 ZINC000346789376 143245891 /nfs/dbraw/zinc/24/58/91/143245891.db2.gz IJBWAGGPYWDATR-NSHDSACASA-N 1 2 336.352 1.643 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)n1 ZINC000346789376 143245892 /nfs/dbraw/zinc/24/58/92/143245892.db2.gz IJBWAGGPYWDATR-NSHDSACASA-N 1 2 336.352 1.643 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000347616645 143341319 /nfs/dbraw/zinc/34/13/19/143341319.db2.gz UQHCVWRQKYKFOW-HNNXBMFYSA-N 1 2 335.404 1.673 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000347616645 143341320 /nfs/dbraw/zinc/34/13/20/143341320.db2.gz UQHCVWRQKYKFOW-HNNXBMFYSA-N 1 2 335.404 1.673 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000572838057 306600330 /nfs/dbraw/zinc/60/03/30/306600330.db2.gz PFPZHTYMCISZGH-UHFFFAOYSA-N 1 2 339.417 1.626 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000369917834 155232166 /nfs/dbraw/zinc/23/21/66/155232166.db2.gz FGSOKYKBVQVZBH-SNVBAGLBSA-N 1 2 341.314 1.420 20 5 EDBDLO Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000354374065 149782813 /nfs/dbraw/zinc/78/28/13/149782813.db2.gz XYBNCJBKWISGLR-UHFFFAOYSA-N 1 2 329.360 1.584 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355598364 150330297 /nfs/dbraw/zinc/33/02/97/150330297.db2.gz AFDPCYQFXOUQNB-UHFFFAOYSA-N 1 2 338.360 1.757 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000355598364 150330300 /nfs/dbraw/zinc/33/03/00/150330300.db2.gz AFDPCYQFXOUQNB-UHFFFAOYSA-N 1 2 338.360 1.757 20 5 EDBDLO CCc1c[nH+]ccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000357578317 151073230 /nfs/dbraw/zinc/07/32/30/151073230.db2.gz CMFNSPDIQQLTSK-UHFFFAOYSA-N 1 2 342.311 1.521 20 5 EDBDLO Cc1c(C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)cccc1[N+](=O)[O-] ZINC000360850355 152229114 /nfs/dbraw/zinc/22/91/14/152229114.db2.gz LYWIGTDJBKSNDD-QGZVFWFLSA-N 1 2 346.431 1.690 20 5 EDBDLO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000364703699 153309290 /nfs/dbraw/zinc/30/92/90/153309290.db2.gz DGAXKDTXYNZKJD-NSHDSACASA-N 1 2 330.344 1.832 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000365008332 153396747 /nfs/dbraw/zinc/39/67/47/153396747.db2.gz KSPMNFVETXIXRB-SECBINFHSA-N 1 2 330.300 1.334 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000365008332 153396750 /nfs/dbraw/zinc/39/67/50/153396750.db2.gz KSPMNFVETXIXRB-SECBINFHSA-N 1 2 330.300 1.334 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000367839629 154293197 /nfs/dbraw/zinc/29/31/97/154293197.db2.gz CHPWMQOFSWAKEF-ZDUSSCGKSA-N 1 2 349.387 1.601 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000372151176 156242783 /nfs/dbraw/zinc/24/27/83/156242783.db2.gz RQKXZEIIJCPEOM-NSHDSACASA-N 1 2 330.344 1.679 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000372939951 156603249 /nfs/dbraw/zinc/60/32/49/156603249.db2.gz VQKQTBZMCFYUSP-UHFFFAOYSA-N 1 2 330.348 1.608 20 5 EDBDLO Cc1[nH+]c(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c2n1CCCC2 ZINC000378315652 158138432 /nfs/dbraw/zinc/13/84/32/158138432.db2.gz PGGMNFXDAWISQM-UHFFFAOYSA-N 1 2 331.332 1.467 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CCC2 ZINC000378553912 158207341 /nfs/dbraw/zinc/20/73/41/158207341.db2.gz WMKPUZDLGZSRHC-NSHDSACASA-N 1 2 329.360 1.989 20 5 EDBDLO Cn1c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2[nH+]c1C1CC1 ZINC000089868778 287324237 /nfs/dbraw/zinc/32/42/37/287324237.db2.gz GUUUWCLGIXDPAH-UHFFFAOYSA-N 1 2 341.331 1.589 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000186795002 533683494 /nfs/dbraw/zinc/68/34/94/533683494.db2.gz QTCWNSIMNKWKBC-SNVBAGLBSA-N 1 2 327.768 1.387 20 5 EDBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275071743 268275572 /nfs/dbraw/zinc/27/55/72/268275572.db2.gz AJLQGNUCMOTEOI-BLLLJJGKSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@@]1(C)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275071743 268275576 /nfs/dbraw/zinc/27/55/76/268275576.db2.gz AJLQGNUCMOTEOI-BLLLJJGKSA-N 1 2 338.360 1.362 20 5 EDBDLO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)ncc1[N+](=O)[O-] ZINC000275614409 273113498 /nfs/dbraw/zinc/11/34/98/273113498.db2.gz JAHWHGCRPPPTBM-CYBMUJFWSA-N 1 2 328.376 1.799 20 5 EDBDLO Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)ncc1[N+](=O)[O-] ZINC000275614409 273113500 /nfs/dbraw/zinc/11/35/00/273113500.db2.gz JAHWHGCRPPPTBM-CYBMUJFWSA-N 1 2 328.376 1.799 20 5 EDBDLO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276352657 273162526 /nfs/dbraw/zinc/16/25/26/273162526.db2.gz URPVMULRATVIPV-NSHDSACASA-N 1 2 327.406 1.893 20 5 EDBDLO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276352657 273162527 /nfs/dbraw/zinc/16/25/27/273162527.db2.gz URPVMULRATVIPV-NSHDSACASA-N 1 2 327.406 1.893 20 5 EDBDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000276897989 273168053 /nfs/dbraw/zinc/16/80/53/273168053.db2.gz ONVKLDFORAUBBN-TUKIKUTGSA-N 1 2 337.376 1.576 20 5 EDBDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000276897989 273168055 /nfs/dbraw/zinc/16/80/55/273168055.db2.gz ONVKLDFORAUBBN-TUKIKUTGSA-N 1 2 337.376 1.576 20 5 EDBDLO CNC(=O)c1ccc(N(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278892125 273268137 /nfs/dbraw/zinc/26/81/37/273268137.db2.gz PULMPNCEGUURKQ-GFCCVEGCSA-N 1 2 336.392 1.111 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000284696677 274298087 /nfs/dbraw/zinc/29/80/87/274298087.db2.gz SUXMUSPKQIPBHL-CABCVRRESA-N 1 2 347.375 1.862 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000284696677 274298088 /nfs/dbraw/zinc/29/80/88/274298088.db2.gz SUXMUSPKQIPBHL-CABCVRRESA-N 1 2 347.375 1.862 20 5 EDBDLO CC(C)NC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000368174412 277661631 /nfs/dbraw/zinc/66/16/31/277661631.db2.gz FSIREUYGNYURHI-UHFFFAOYSA-N 1 2 329.360 1.950 20 5 EDBDLO Cc1c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000287528125 288258607 /nfs/dbraw/zinc/25/86/07/288258607.db2.gz VMBYZXTWNDGJQC-GXTWGEPZSA-N 1 2 333.388 1.838 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287539857 288261073 /nfs/dbraw/zinc/26/10/73/288261073.db2.gz VXNOQTKURCWLBF-KBPBESRZSA-N 1 2 333.388 1.838 20 5 EDBDLO CC(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000292975314 289488713 /nfs/dbraw/zinc/48/87/13/289488713.db2.gz AYFLTZRLELXBJX-UHFFFAOYSA-N 1 2 333.388 1.968 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]21 ZINC000356912874 290096313 /nfs/dbraw/zinc/09/63/13/290096313.db2.gz NFQLDCTYMFXMPO-ZIAGYGMSSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]21 ZINC000356912874 290096315 /nfs/dbraw/zinc/09/63/15/290096315.db2.gz NFQLDCTYMFXMPO-ZIAGYGMSSA-N 1 2 330.344 1.231 20 5 EDBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccco2)CC1 ZINC000420581269 304768978 /nfs/dbraw/zinc/76/89/78/304768978.db2.gz HZHIKNXJGIPKAD-UHFFFAOYSA-N 1 2 330.344 1.609 20 5 EDBDLO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000294378123 303099350 /nfs/dbraw/zinc/09/93/50/303099350.db2.gz NHSQBALUZUOTGH-SNVBAGLBSA-N 1 2 341.339 1.193 20 5 EDBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)o1 ZINC000295291575 303200209 /nfs/dbraw/zinc/20/02/09/303200209.db2.gz JLDFKYNEXVUMFK-SECBINFHSA-N 1 2 345.315 1.792 20 5 EDBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)o1 ZINC000295291575 303200212 /nfs/dbraw/zinc/20/02/12/303200212.db2.gz JLDFKYNEXVUMFK-SECBINFHSA-N 1 2 345.315 1.792 20 5 EDBDLO NS(=O)(=O)c1cccc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000302129988 303713887 /nfs/dbraw/zinc/71/38/87/303713887.db2.gz JUMPLMQROXZKNX-UHFFFAOYSA-N 1 2 347.356 1.502 20 5 EDBDLO CC(C)NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448600444 447334010 /nfs/dbraw/zinc/33/40/10/447334010.db2.gz HCEXDBHQBYXTLF-UHFFFAOYSA-N 1 2 345.359 1.377 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000427698144 304994977 /nfs/dbraw/zinc/99/49/77/304994977.db2.gz SFBAWINYDQSZQE-LLVKDONJSA-N 1 2 332.364 1.624 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1OC ZINC000428357380 305009475 /nfs/dbraw/zinc/00/94/75/305009475.db2.gz DNIGTMIJXUCZQO-LLVKDONJSA-N 1 2 346.343 1.553 20 5 EDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428365457 305009565 /nfs/dbraw/zinc/00/95/65/305009565.db2.gz BRYAJOHJPBSMJB-SNVBAGLBSA-N 1 2 344.327 1.307 20 5 EDBDLO Cc1cc(OCC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000432389009 305092727 /nfs/dbraw/zinc/09/27/27/305092727.db2.gz STMMZEUZMVGJOS-LBPRGKRZSA-N 1 2 330.344 1.610 20 5 EDBDLO C[C@H]([NH2+]Cc1nnnn1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000433246653 305103861 /nfs/dbraw/zinc/10/38/61/305103861.db2.gz NZHXFVPBASFDPR-NSHDSACASA-N 1 2 332.364 1.784 20 5 EDBDLO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433468451 305110103 /nfs/dbraw/zinc/11/01/03/305110103.db2.gz FESDDLRHOOBYSC-AWEZNQCLSA-N 1 2 329.360 1.837 20 5 EDBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCS(=O)(=O)C1 ZINC000435054991 305135597 /nfs/dbraw/zinc/13/55/97/305135597.db2.gz ANABOOYZTKZPTF-JTQLQIEISA-N 1 2 339.373 1.603 20 5 EDBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCS(=O)(=O)C1 ZINC000435054991 305135598 /nfs/dbraw/zinc/13/55/98/305135598.db2.gz ANABOOYZTKZPTF-JTQLQIEISA-N 1 2 339.373 1.603 20 5 EDBDLO O=C(N[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450159512 305326481 /nfs/dbraw/zinc/32/64/81/305326481.db2.gz CXMULJANKKCMRD-WFASDCNBSA-N 1 2 330.344 1.814 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@](F)(CO)C1 ZINC000451744964 305366263 /nfs/dbraw/zinc/36/62/63/305366263.db2.gz NDHLVJZQDBBYNF-INIZCTEOSA-N 1 2 348.334 1.717 20 5 EDBDLO COc1nccnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449026379 447361200 /nfs/dbraw/zinc/36/12/00/447361200.db2.gz FLTMKXFNBCBSBH-LLVKDONJSA-N 1 2 330.348 1.475 20 5 EDBDLO COc1nccnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449026379 447361205 /nfs/dbraw/zinc/36/12/05/447361205.db2.gz FLTMKXFNBCBSBH-LLVKDONJSA-N 1 2 330.348 1.475 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534515809 306007352 /nfs/dbraw/zinc/00/73/52/306007352.db2.gz GOHXJOBWUNWLPQ-CYBMUJFWSA-N 1 2 348.403 1.383 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534515809 306007353 /nfs/dbraw/zinc/00/73/53/306007353.db2.gz GOHXJOBWUNWLPQ-CYBMUJFWSA-N 1 2 348.403 1.383 20 5 EDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547763506 306110976 /nfs/dbraw/zinc/11/09/76/306110976.db2.gz PQCTYJRPODPXAB-NSHDSACASA-N 1 2 330.348 1.232 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623303 306132790 /nfs/dbraw/zinc/13/27/90/306132790.db2.gz CJEJRNFJORSDSF-SECBINFHSA-N 1 2 333.797 1.372 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548623303 306132791 /nfs/dbraw/zinc/13/27/91/306132791.db2.gz CJEJRNFJORSDSF-SECBINFHSA-N 1 2 333.797 1.372 20 5 EDBDLO Cc1c(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000377955818 447392435 /nfs/dbraw/zinc/39/24/35/447392435.db2.gz FBDIWFLFSWGTDN-JTQLQIEISA-N 1 2 343.343 1.239 20 5 EDBDLO Cc1c(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000377955818 447392440 /nfs/dbraw/zinc/39/24/40/447392440.db2.gz FBDIWFLFSWGTDN-JTQLQIEISA-N 1 2 343.343 1.239 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[S@]1=O ZINC000449915881 447411564 /nfs/dbraw/zinc/41/15/64/447411564.db2.gz PTOVBFQNYMHQAK-YDGUKXNOSA-N 1 2 348.384 1.374 20 5 EDBDLO C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000449961781 447419955 /nfs/dbraw/zinc/41/99/55/447419955.db2.gz WHWWMSTYZDWFDG-MRXNPFEDSA-N 1 2 330.344 1.671 20 5 EDBDLO COc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000044384804 440844043 /nfs/dbraw/zinc/84/40/43/440844043.db2.gz YNNMZIRJYLSATM-IHRRRGAJSA-N 1 2 330.344 1.300 20 5 EDBDLO COC(=O)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000007637040 441060354 /nfs/dbraw/zinc/06/03/54/441060354.db2.gz XTLHXUZCJDBTJP-UHFFFAOYSA-N 1 2 335.360 1.727 20 5 EDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080919251 441207438 /nfs/dbraw/zinc/20/74/38/441207438.db2.gz QOPBMDYFHREFQG-CQSZACIVSA-N 1 2 348.403 1.330 20 5 EDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000060934575 441261278 /nfs/dbraw/zinc/26/12/78/441261278.db2.gz RKWWQORTQIHZIO-UHFFFAOYSA-N 1 2 333.797 1.493 20 5 EDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000022591256 441282177 /nfs/dbraw/zinc/28/21/77/441282177.db2.gz YNILZONLMDCSJN-CYBMUJFWSA-N 1 2 332.404 1.380 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000073527920 441322841 /nfs/dbraw/zinc/32/28/41/441322841.db2.gz JRCJWOUZWOKYTP-UHFFFAOYSA-N 1 2 328.231 1.183 20 5 EDBDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026489843 441379347 /nfs/dbraw/zinc/37/93/47/441379347.db2.gz OGRWHGWUKTUIPL-LBPRGKRZSA-N 1 2 335.408 1.415 20 5 EDBDLO Cc1c(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000051181153 441401824 /nfs/dbraw/zinc/40/18/24/441401824.db2.gz XJYQOMZMMIWLFG-AWEZNQCLSA-N 1 2 346.431 1.688 20 5 EDBDLO Cc1c(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000051181153 441401826 /nfs/dbraw/zinc/40/18/26/441401826.db2.gz XJYQOMZMMIWLFG-AWEZNQCLSA-N 1 2 346.431 1.688 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CO)CC1 ZINC000052807576 441476537 /nfs/dbraw/zinc/47/65/37/441476537.db2.gz HBJJMSLFVJTOOO-LLVKDONJSA-N 1 2 337.376 1.635 20 5 EDBDLO CN(CC1CC1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844821 441479459 /nfs/dbraw/zinc/47/94/59/441479459.db2.gz IHEODSJODOYLKD-UHFFFAOYSA-N 1 2 332.404 1.585 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000085825605 441452280 /nfs/dbraw/zinc/45/22/80/441452280.db2.gz OPMXPCYEVLUCHH-UHFFFAOYSA-N 1 2 333.348 1.787 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000085825605 441452283 /nfs/dbraw/zinc/45/22/83/441452283.db2.gz OPMXPCYEVLUCHH-UHFFFAOYSA-N 1 2 333.348 1.787 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000109428696 441499918 /nfs/dbraw/zinc/49/99/18/441499918.db2.gz ZVJBWOHUASHTLR-UHFFFAOYSA-N 1 2 346.391 1.776 20 5 EDBDLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000088616574 441516152 /nfs/dbraw/zinc/51/61/52/441516152.db2.gz CDIAOLKQOMBLCG-HBUWYVDXSA-N 1 2 349.431 1.423 20 5 EDBDLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000088616574 441516154 /nfs/dbraw/zinc/51/61/54/441516154.db2.gz CDIAOLKQOMBLCG-HBUWYVDXSA-N 1 2 349.431 1.423 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067417624 441638235 /nfs/dbraw/zinc/63/82/35/441638235.db2.gz RYLGGTZWRWZPMI-CQSZACIVSA-N 1 2 348.403 1.690 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067417624 441638240 /nfs/dbraw/zinc/63/82/40/441638240.db2.gz RYLGGTZWRWZPMI-CQSZACIVSA-N 1 2 348.403 1.690 20 5 EDBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173590121 441800833 /nfs/dbraw/zinc/80/08/33/441800833.db2.gz OGHKTRHMEUQAIL-KRWDZBQOSA-N 1 2 346.431 1.376 20 5 EDBDLO CC(=O)N(C)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119861794 441965779 /nfs/dbraw/zinc/96/57/79/441965779.db2.gz XYTBXENVSVSIGU-UHFFFAOYSA-N 1 2 348.403 1.500 20 5 EDBDLO CC(C)[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000120665483 442113150 /nfs/dbraw/zinc/11/31/50/442113150.db2.gz YIQWXLPOZCAISH-UHFFFAOYSA-N 1 2 341.433 1.493 20 5 EDBDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000176420967 442220073 /nfs/dbraw/zinc/22/00/73/442220073.db2.gz UNJVZFNEKJHKTB-UHFFFAOYSA-N 1 2 336.373 1.852 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153730642 442298458 /nfs/dbraw/zinc/29/84/58/442298458.db2.gz VKEGCMICBGRTEH-UHFFFAOYSA-N 1 2 336.783 1.699 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)n1 ZINC000178170312 442412787 /nfs/dbraw/zinc/41/27/87/442412787.db2.gz WXMIQWVLVYINSD-UHFFFAOYSA-N 1 2 328.332 1.373 20 5 EDBDLO CC(=O)NC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172188610 442421415 /nfs/dbraw/zinc/42/14/15/442421415.db2.gz OAZAOVAQJNVVSS-MRXNPFEDSA-N 1 2 337.376 1.201 20 5 EDBDLO CC(=O)NC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172188610 442421418 /nfs/dbraw/zinc/42/14/18/442421418.db2.gz OAZAOVAQJNVVSS-MRXNPFEDSA-N 1 2 337.376 1.201 20 5 EDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178405166 442430997 /nfs/dbraw/zinc/43/09/97/442430997.db2.gz RSIDKGLQSMVRGJ-UHFFFAOYSA-N 1 2 332.341 1.721 20 5 EDBDLO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC(C)(C)C ZINC000180048376 442532607 /nfs/dbraw/zinc/53/26/07/442532607.db2.gz LTWAAZFKLDAQBV-CQSZACIVSA-N 1 2 339.392 1.712 20 5 EDBDLO C[N@@H+]1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000186779470 442610406 /nfs/dbraw/zinc/61/04/06/442610406.db2.gz GXZVCXPBFAPVLA-UHFFFAOYSA-N 1 2 335.345 1.392 20 5 EDBDLO C[N@H+]1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000186779470 442610411 /nfs/dbraw/zinc/61/04/11/442610411.db2.gz GXZVCXPBFAPVLA-UHFFFAOYSA-N 1 2 335.345 1.392 20 5 EDBDLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187578816 442681758 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2 331.376 1.376 20 5 EDBDLO CN1CCO[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000342148059 444534322 /nfs/dbraw/zinc/53/43/22/444534322.db2.gz GROHSNSMTPFVLL-CABCVRRESA-N 1 2 331.376 1.376 20 5 EDBDLO CN1CCO[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000342148059 444534325 /nfs/dbraw/zinc/53/43/25/444534325.db2.gz GROHSNSMTPFVLL-CABCVRRESA-N 1 2 331.376 1.376 20 5 EDBDLO COc1cc(N2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)ccc1F ZINC000338634264 444784940 /nfs/dbraw/zinc/78/49/40/444784940.db2.gz VFOYWSHJSRQHIA-UHFFFAOYSA-N 1 2 349.366 1.798 20 5 EDBDLO COC[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000344364602 444921323 /nfs/dbraw/zinc/92/13/23/444921323.db2.gz KGWZBCUREDYVNY-CHWSQXEVSA-N 1 2 337.376 1.577 20 5 EDBDLO COC[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000344364602 444921326 /nfs/dbraw/zinc/92/13/26/444921326.db2.gz KGWZBCUREDYVNY-CHWSQXEVSA-N 1 2 337.376 1.577 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000341692378 444950917 /nfs/dbraw/zinc/95/09/17/444950917.db2.gz QZTHFGNWHQDSOK-HNNXBMFYSA-N 1 2 330.344 1.975 20 5 EDBDLO COc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000343224891 445148279 /nfs/dbraw/zinc/14/82/79/445148279.db2.gz MWKAMCBUFFPBHQ-LBPRGKRZSA-N 1 2 330.344 1.679 20 5 EDBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348300618 445247819 /nfs/dbraw/zinc/24/78/19/445247819.db2.gz HJPOEFZPHQZMIC-SECBINFHSA-N 1 2 333.797 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348300618 445247824 /nfs/dbraw/zinc/24/78/24/445247824.db2.gz HJPOEFZPHQZMIC-SECBINFHSA-N 1 2 333.797 1.573 20 5 EDBDLO Cc1n[nH]c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000354585360 445304058 /nfs/dbraw/zinc/30/40/58/445304058.db2.gz XUYHHSYRSXKENI-UHFFFAOYSA-N 1 2 340.343 1.801 20 5 EDBDLO COC(=O)C[C@@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOC1 ZINC000351993248 445425163 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Nc1nccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000597942922 449152326 /nfs/dbraw/zinc/15/23/26/449152326.db2.gz GESPMAUDFQNLGM-UHFFFAOYSA-N 1 2 342.359 1.497 20 5 EDBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1=CCCOC1 ZINC000595750981 449147437 /nfs/dbraw/zinc/14/74/37/449147437.db2.gz DXDZHJOQDDRSKA-UHFFFAOYSA-N 1 2 349.343 1.541 20 5 EDBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1=CCCOC1 ZINC000595750981 449147442 /nfs/dbraw/zinc/14/74/42/449147442.db2.gz DXDZHJOQDDRSKA-UHFFFAOYSA-N 1 2 349.343 1.541 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000595754170 449149132 /nfs/dbraw/zinc/14/91/32/449149132.db2.gz WAIGEOSXTQBUAC-UHFFFAOYSA-N 1 2 335.360 1.820 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000595754170 449149137 /nfs/dbraw/zinc/14/91/37/449149137.db2.gz WAIGEOSXTQBUAC-UHFFFAOYSA-N 1 2 335.360 1.820 20 5 EDBDLO COc1c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000597992782 449176195 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TWCBORFIKFDIBU-NWDGAFQWSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)CO1 ZINC000597999947 449185726 /nfs/dbraw/zinc/18/57/26/449185726.db2.gz TWCBORFIKFDIBU-NWDGAFQWSA-N 1 2 346.387 1.915 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595830723 449193640 /nfs/dbraw/zinc/19/36/40/449193640.db2.gz LHGLVFNBJPXANW-CHWSQXEVSA-N 1 2 340.401 1.337 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595830723 449193646 /nfs/dbraw/zinc/19/36/46/449193646.db2.gz LHGLVFNBJPXANW-CHWSQXEVSA-N 1 2 340.401 1.337 20 5 EDBDLO CCNC(=O)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508354 449241414 /nfs/dbraw/zinc/24/14/14/449241414.db2.gz CNUUMISKPDFWCD-UHFFFAOYSA-N 1 2 329.360 1.933 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000601975087 449256135 /nfs/dbraw/zinc/25/61/35/449256135.db2.gz LHISEJOSNDVQKP-GFCCVEGCSA-N 1 2 329.303 1.550 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000601975087 449256139 /nfs/dbraw/zinc/25/61/39/449256139.db2.gz LHISEJOSNDVQKP-GFCCVEGCSA-N 1 2 329.303 1.550 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593449923 449290519 /nfs/dbraw/zinc/29/05/19/449290519.db2.gz HQEIQJPCPQLETQ-UHFFFAOYSA-N 1 2 339.367 1.503 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593449923 449290525 /nfs/dbraw/zinc/29/05/25/449290525.db2.gz HQEIQJPCPQLETQ-UHFFFAOYSA-N 1 2 339.367 1.503 20 5 EDBDLO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC000611556620 449335447 /nfs/dbraw/zinc/33/54/47/449335447.db2.gz WERGDBLYKLXZOA-CYBMUJFWSA-N 1 2 348.403 1.199 20 5 EDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460984 449406792 /nfs/dbraw/zinc/40/67/92/449406792.db2.gz YRHQXPYDDWYULS-GHMZBOCLSA-N 1 2 345.359 1.324 20 5 EDBDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611815568 449432993 /nfs/dbraw/zinc/43/29/93/449432993.db2.gz NOYPGCNTAXJUKA-UHFFFAOYSA-N 1 2 331.372 1.596 20 5 EDBDLO O=C(C[N@H+]1CCOCC2(CC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611815568 449432999 /nfs/dbraw/zinc/43/29/99/449432999.db2.gz NOYPGCNTAXJUKA-UHFFFAOYSA-N 1 2 331.372 1.596 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(C)c1[N+](=O)[O-] ZINC000598615110 449495352 /nfs/dbraw/zinc/49/53/52/449495352.db2.gz UENSOVMUAVXQFV-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO CSc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000614419194 449600199 /nfs/dbraw/zinc/60/01/99/449600199.db2.gz XVFTXPUUZPIZOT-CMPLNLGQSA-N 1 2 339.417 1.766 20 5 EDBDLO CSc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000614419194 449600204 /nfs/dbraw/zinc/60/02/04/449600204.db2.gz XVFTXPUUZPIZOT-CMPLNLGQSA-N 1 2 339.417 1.766 20 5 EDBDLO Cn1cc(C[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602481919 449626006 /nfs/dbraw/zinc/62/60/06/449626006.db2.gz DARBFTHMEWVAAA-UHFFFAOYSA-N 1 2 339.359 1.603 20 5 EDBDLO Cn1cc(C[N@H+]2CCn3c(nnc3-c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602481919 449626011 /nfs/dbraw/zinc/62/60/11/449626011.db2.gz DARBFTHMEWVAAA-UHFFFAOYSA-N 1 2 339.359 1.603 20 5 EDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949042 449665921 /nfs/dbraw/zinc/66/59/21/449665921.db2.gz SQGPICWAZKVPBG-GFCCVEGCSA-N 1 2 330.344 1.691 20 5 EDBDLO Cc1c(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cccc1[N+](=O)[O-] ZINC000601119340 449701570 /nfs/dbraw/zinc/70/15/70/449701570.db2.gz XRGWAMBKDXXGDV-ZDUSSCGKSA-N 1 2 331.376 1.821 20 5 EDBDLO NC(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599045033 449709738 /nfs/dbraw/zinc/70/97/38/449709738.db2.gz YDKXXOINGRYXHX-UHFFFAOYSA-N 1 2 330.344 1.837 20 5 EDBDLO O=[N+]([O-])c1c(NC[C@@]2(O)CCS(=O)(=O)C2)ccc2c[nH+]ccc21 ZINC000599082181 449721382 /nfs/dbraw/zinc/72/13/82/449721382.db2.gz ADVWYAPEJLWWTI-AWEZNQCLSA-N 1 2 337.357 1.105 20 5 EDBDLO Cc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)ncc1[N+](=O)[O-] ZINC000599184033 449784588 /nfs/dbraw/zinc/78/45/88/449784588.db2.gz WJBNGJCOPCRYGP-HNNXBMFYSA-N 1 2 343.387 2.006 20 5 EDBDLO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ncc1[N+](=O)[O-] ZINC000599184033 449784595 /nfs/dbraw/zinc/78/45/95/449784595.db2.gz WJBNGJCOPCRYGP-HNNXBMFYSA-N 1 2 343.387 2.006 20 5 EDBDLO Cc1ccc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599132116 449754902 /nfs/dbraw/zinc/75/49/02/449754902.db2.gz XTISGJUOMVZAOY-QGZVFWFLSA-N 1 2 335.404 1.931 20 5 EDBDLO Cc1ccc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599132116 449754910 /nfs/dbraw/zinc/75/49/10/449754910.db2.gz XTISGJUOMVZAOY-QGZVFWFLSA-N 1 2 335.404 1.931 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000599161376 449770398 /nfs/dbraw/zinc/77/03/98/449770398.db2.gz XFNYXUDCLSYUMP-CQSZACIVSA-N 1 2 348.403 1.573 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000599161376 449770404 /nfs/dbraw/zinc/77/04/04/449770404.db2.gz XFNYXUDCLSYUMP-CQSZACIVSA-N 1 2 348.403 1.573 20 5 EDBDLO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000602783989 449806457 /nfs/dbraw/zinc/80/64/57/449806457.db2.gz GBGKRJOXXKUXSQ-NSHDSACASA-N 1 2 332.426 1.245 20 5 EDBDLO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000602783989 449806462 /nfs/dbraw/zinc/80/64/62/449806462.db2.gz GBGKRJOXXKUXSQ-NSHDSACASA-N 1 2 332.426 1.245 20 5 EDBDLO CCn1cc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000595069701 449854317 /nfs/dbraw/zinc/85/43/17/449854317.db2.gz QTYXFOMNOXCBLY-HNNXBMFYSA-N 1 2 341.375 1.819 20 5 EDBDLO COCc1nnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000595064743 449851469 /nfs/dbraw/zinc/85/14/69/449851469.db2.gz AWJDWDXXDATKSY-ZDUSSCGKSA-N 1 2 331.376 1.970 20 5 EDBDLO O=C(NCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608985076 449955428 /nfs/dbraw/zinc/95/54/28/449955428.db2.gz NYEKLQHULBWSFN-UHFFFAOYSA-N 1 2 344.327 1.603 20 5 EDBDLO Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000602945285 449947419 /nfs/dbraw/zinc/94/74/19/449947419.db2.gz ZNZRVXLRVRIWHH-HNNXBMFYSA-N 1 2 329.360 1.864 20 5 EDBDLO Cc1n[nH]cc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000602945285 449947421 /nfs/dbraw/zinc/94/74/21/449947421.db2.gz ZNZRVXLRVRIWHH-HNNXBMFYSA-N 1 2 329.360 1.864 20 5 EDBDLO COc1ccc(CC(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000609044215 449957689 /nfs/dbraw/zinc/95/76/89/449957689.db2.gz DOIWAKPMKZIVBR-UHFFFAOYSA-N 1 2 332.360 1.939 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609112487 449960686 /nfs/dbraw/zinc/96/06/86/449960686.db2.gz BKWHFEVDKZYNAA-AWEZNQCLSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000609112487 449960693 /nfs/dbraw/zinc/96/06/93/449960693.db2.gz BKWHFEVDKZYNAA-AWEZNQCLSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000595287470 450003067 /nfs/dbraw/zinc/00/30/67/450003067.db2.gz DESOZFJCQGTWJI-UHFFFAOYSA-N 1 2 336.367 1.130 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601574669 450084970 /nfs/dbraw/zinc/08/49/70/450084970.db2.gz RIGBCYJNQWFPRM-NWDGAFQWSA-N 1 2 337.351 1.669 20 5 EDBDLO COc1ccc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595384551 450099523 /nfs/dbraw/zinc/09/95/23/450099523.db2.gz XGTWOIRMUFTOBI-VIFPVBQESA-N 1 2 340.361 1.376 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848965 450105667 /nfs/dbraw/zinc/10/56/67/450105667.db2.gz VLEXLGCOSPMCRX-LBPRGKRZSA-N 1 2 337.376 1.636 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848965 450105675 /nfs/dbraw/zinc/10/56/75/450105675.db2.gz VLEXLGCOSPMCRX-LBPRGKRZSA-N 1 2 337.376 1.636 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000609893413 450112959 /nfs/dbraw/zinc/11/29/59/450112959.db2.gz FJXZGQWQAOWGAC-LBPRGKRZSA-N 1 2 326.784 1.944 20 5 EDBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000610244105 450159123 /nfs/dbraw/zinc/15/91/23/450159123.db2.gz VPZFTANGFBYCRH-ZDUSSCGKSA-N 1 2 344.371 1.623 20 5 EDBDLO Cc1cccn2cc(CCNC(=O)Cn3ccc([N+](=O)[O-])n3)[nH+]c12 ZINC000610435069 450218048 /nfs/dbraw/zinc/21/80/48/450218048.db2.gz WXYCIAGEHVUOOW-UHFFFAOYSA-N 1 2 328.332 1.106 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCCc2cn(C)c[nH+]2)c(C)c1[N+](=O)[O-] ZINC000598617897 490998277 /nfs/dbraw/zinc/99/82/77/490998277.db2.gz ILEMPDUOKDYOQO-UHFFFAOYSA-N 1 2 338.389 1.466 20 5 EDBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174486890 534772708 /nfs/dbraw/zinc/77/27/08/534772708.db2.gz WMAAJMVEEUXHDP-LBPRGKRZSA-N 1 2 325.390 1.593 20 5 EDBDLO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000725789212 578281898 /nfs/dbraw/zinc/28/18/98/578281898.db2.gz BFHIRTULVFGQMX-DIECRNLCSA-N 1 2 349.387 1.914 20 5 EDBDLO COC(=O)/C=C/c1ccc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000725789212 578281899 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CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2cncs2)CC1 ZINC000894848356 591442434 /nfs/dbraw/zinc/44/24/34/591442434.db2.gz NIGVZKYBSDWYAK-UHFFFAOYSA-N 1 2 336.421 1.898 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC12CC(O)C2 ZINC000897090285 591733975 /nfs/dbraw/zinc/73/39/75/591733975.db2.gz PNQZWNAJDMOMEZ-PWZRNIHTSA-N 1 2 333.388 1.752 20 5 EDBDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000895610158 591822660 /nfs/dbraw/zinc/82/26/60/591822660.db2.gz PYROWTCRKLTXFB-ZDUSSCGKSA-N 1 2 349.309 1.719 20 5 EDBDLO C[N@H+]1CCOC[C@@]1(CO)CNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000895610158 591822662 /nfs/dbraw/zinc/82/26/62/591822662.db2.gz PYROWTCRKLTXFB-ZDUSSCGKSA-N 1 2 349.309 1.719 20 5 EDBDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000808139359 593226756 /nfs/dbraw/zinc/22/67/56/593226756.db2.gz FJXYKXNMJLNEDA-QGZVFWFLSA-N 1 2 347.419 1.718 20 5 EDBDLO Cn1cc(C[NH2+]Cc2cnn(C)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000808416989 593257674 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Cc1c(NC(=O)CC[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000346062471 143163352 /nfs/dbraw/zinc/16/33/52/143163352.db2.gz KTVHYYAYNAWBNH-GWCFXTLKSA-N 1 2 338.339 1.130 20 5 EDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346569259 143217563 /nfs/dbraw/zinc/21/75/63/143217563.db2.gz QRFZDGXKAJCADD-SNVBAGLBSA-N 1 2 331.332 1.095 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000347167736 143290261 /nfs/dbraw/zinc/29/02/61/143290261.db2.gz LUHYBQGIPLGXDQ-UHFFFAOYSA-N 1 2 344.375 1.644 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000347375175 143314124 /nfs/dbraw/zinc/31/41/24/143314124.db2.gz NYLFLUVTEBERNO-ZDUSSCGKSA-N 1 2 339.417 1.642 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000347375175 143314125 /nfs/dbraw/zinc/31/41/25/143314125.db2.gz NYLFLUVTEBERNO-ZDUSSCGKSA-N 1 2 339.417 1.642 20 5 EDBDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000348095737 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1.756 20 5 EDBDLO COc1cc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353745694 286221106 /nfs/dbraw/zinc/22/11/06/286221106.db2.gz IMSCCPSMAHIUJR-CZUORRHYSA-N 1 2 337.376 1.127 20 5 EDBDLO COc1cc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353745694 286221107 /nfs/dbraw/zinc/22/11/07/286221107.db2.gz IMSCCPSMAHIUJR-CZUORRHYSA-N 1 2 337.376 1.127 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353745694 286221108 /nfs/dbraw/zinc/22/11/08/286221108.db2.gz IMSCCPSMAHIUJR-CZUORRHYSA-N 1 2 337.376 1.127 20 5 EDBDLO COc1cc(C[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353745694 286221109 /nfs/dbraw/zinc/22/11/09/286221109.db2.gz IMSCCPSMAHIUJR-CZUORRHYSA-N 1 2 337.376 1.127 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3cncnc3C2)c1 ZINC000357660715 151106685 /nfs/dbraw/zinc/10/66/85/151106685.db2.gz TUPYYNGCCNWLEP-AWEZNQCLSA-N 1 2 330.344 1.183 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3cncnc3C2)c1 ZINC000357660715 151106687 /nfs/dbraw/zinc/10/66/87/151106687.db2.gz TUPYYNGCCNWLEP-AWEZNQCLSA-N 1 2 330.344 1.183 20 5 EDBDLO COc1ccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000357665823 151108243 /nfs/dbraw/zinc/10/82/43/151108243.db2.gz PKSVFGRIVLMHQA-LLVKDONJSA-N 1 2 345.359 1.683 20 5 EDBDLO COc1ccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000357665823 151108246 /nfs/dbraw/zinc/10/82/46/151108246.db2.gz PKSVFGRIVLMHQA-LLVKDONJSA-N 1 2 345.359 1.683 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359030207 151571858 /nfs/dbraw/zinc/57/18/58/151571858.db2.gz MIKDAZFJYBATQF-UHFFFAOYSA-N 1 2 341.327 1.854 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(n4cncn4)CC3)nc2c1 ZINC000361260754 152347266 /nfs/dbraw/zinc/34/72/66/152347266.db2.gz PCMYCISZSZYJFM-UHFFFAOYSA-N 1 2 327.348 1.900 20 5 EDBDLO O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364376748 153221513 /nfs/dbraw/zinc/22/15/13/153221513.db2.gz FQFDHPWMYHMBQR-TZMCWYRMSA-N 1 2 344.375 1.729 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364433274 153235880 /nfs/dbraw/zinc/23/58/80/153235880.db2.gz GRMMPWOWYJRIAP-IINYFYTJSA-N 1 2 335.360 1.387 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364433274 153235884 /nfs/dbraw/zinc/23/58/84/153235884.db2.gz GRMMPWOWYJRIAP-IINYFYTJSA-N 1 2 335.360 1.387 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1C ZINC000364535804 153261586 /nfs/dbraw/zinc/26/15/86/153261586.db2.gz JFOMEZMKHWOCIE-LBPRGKRZSA-N 1 2 330.344 1.853 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C2 ZINC000364665752 153298720 /nfs/dbraw/zinc/29/87/20/153298720.db2.gz YXCZRHCXGQEPHG-GFCCVEGCSA-N 1 2 332.364 1.126 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340216538 286384122 /nfs/dbraw/zinc/38/41/22/286384122.db2.gz KPVNEBXLBQRGPC-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340216538 286384123 /nfs/dbraw/zinc/38/41/23/286384123.db2.gz KPVNEBXLBQRGPC-UHFFFAOYSA-N 1 2 343.405 1.117 20 5 EDBDLO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367532744 154164043 /nfs/dbraw/zinc/16/40/43/154164043.db2.gz DHNLBVWBIUPDFT-LBPRGKRZSA-N 1 2 335.360 1.284 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000369371515 155000401 /nfs/dbraw/zinc/00/04/01/155000401.db2.gz WDWCUCRXTMXUHV-LBPRGKRZSA-N 1 2 329.360 1.930 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369525840 155072898 /nfs/dbraw/zinc/07/28/98/155072898.db2.gz PHLFTKZGDXJPHP-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369525840 155072902 /nfs/dbraw/zinc/07/29/02/155072902.db2.gz PHLFTKZGDXJPHP-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371659895 156050523 /nfs/dbraw/zinc/05/05/23/156050523.db2.gz JZSQYYXYFKCOEF-HUUCEWRRSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371659895 156050527 /nfs/dbraw/zinc/05/05/27/156050527.db2.gz JZSQYYXYFKCOEF-HUUCEWRRSA-N 1 2 338.360 1.626 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCN4CCOC[C@H]4C3)n2)c1 ZINC000371821807 156123638 /nfs/dbraw/zinc/12/36/38/156123638.db2.gz DIPDFRRZPZBXCA-CQSZACIVSA-N 1 2 345.359 1.161 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCN4CCOC[C@H]4C3)n2)c1 ZINC000371821807 156123649 /nfs/dbraw/zinc/12/36/49/156123649.db2.gz DIPDFRRZPZBXCA-CQSZACIVSA-N 1 2 345.359 1.161 20 5 EDBDLO COc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000374371837 157264964 /nfs/dbraw/zinc/26/49/64/157264964.db2.gz AUXKQCMYRWGALW-AWEZNQCLSA-N 1 2 342.355 1.785 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000374616876 157345805 /nfs/dbraw/zinc/34/58/05/157345805.db2.gz CQDCBLNESFEKRI-NSHDSACASA-N 1 2 330.344 1.935 20 5 EDBDLO Cc1cc(N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918819 158028582 /nfs/dbraw/zinc/02/85/82/158028582.db2.gz SIKKQXSLGUENIC-CABCVRRESA-N 1 2 349.435 1.139 20 5 EDBDLO Cc1cc(N2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918819 158028584 /nfs/dbraw/zinc/02/85/84/158028584.db2.gz SIKKQXSLGUENIC-CABCVRRESA-N 1 2 349.435 1.139 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)S1 ZINC000274675473 268181148 /nfs/dbraw/zinc/18/11/48/268181148.db2.gz MNDYJCPXQLQMNJ-SECBINFHSA-N 1 2 339.396 1.929 20 5 EDBDLO O=C1OCC[C@@]12CCC[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275072776 268275096 /nfs/dbraw/zinc/27/50/96/268275096.db2.gz ATZIYPIHSKSHAY-BBRMVZONSA-N 1 2 336.344 1.116 20 5 EDBDLO O=C1OCC[C@@]12CCC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275072776 268275098 /nfs/dbraw/zinc/27/50/98/268275098.db2.gz ATZIYPIHSKSHAY-BBRMVZONSA-N 1 2 336.344 1.116 20 5 EDBDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000275183832 268292319 /nfs/dbraw/zinc/29/23/19/268292319.db2.gz NQPDFSVDNMRTPB-SNVBAGLBSA-N 1 2 348.363 1.411 20 5 EDBDLO COc1ccc(NC(=O)CC[N@@H+]2CCC(=O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275294565 268315708 /nfs/dbraw/zinc/31/57/08/268315708.db2.gz YSNDDFJKKIUONV-NSHDSACASA-N 1 2 335.360 1.843 20 5 EDBDLO COc1ccc(NC(=O)CC[N@H+]2CCC(=O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275294565 268315710 /nfs/dbraw/zinc/31/57/10/268315710.db2.gz YSNDDFJKKIUONV-NSHDSACASA-N 1 2 335.360 1.843 20 5 EDBDLO Cc1cccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000275456179 268345007 /nfs/dbraw/zinc/34/50/07/268345007.db2.gz MBULGJCVGAJRMT-UHFFFAOYSA-N 1 2 332.404 1.648 20 5 EDBDLO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ncn(C)n2)c([N+](=O)[O-])c1 ZINC000275497435 268351828 /nfs/dbraw/zinc/35/18/28/268351828.db2.gz GMZMLVFYMUDWBL-SNVBAGLBSA-N 1 2 348.363 1.411 20 5 EDBDLO O=C(N[C@@]1(CCO)CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000278201665 268627179 /nfs/dbraw/zinc/62/71/79/268627179.db2.gz VIRMEPOZGCJUHZ-INIZCTEOSA-N 1 2 346.343 1.052 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)ccc1Br ZINC000273377247 273035777 /nfs/dbraw/zinc/03/57/77/273035777.db2.gz GBQDXNZSBSSGGE-NXEZZACHSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)ccc1Br ZINC000273377247 273035778 /nfs/dbraw/zinc/03/57/78/273035778.db2.gz GBQDXNZSBSSGGE-NXEZZACHSA-N 1 2 331.166 1.285 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000273985904 273064934 /nfs/dbraw/zinc/06/49/34/273064934.db2.gz JEMXXCRUKKDZQK-VHSXEESVSA-N 1 2 348.363 1.410 20 5 EDBDLO Cc1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000274206616 273077927 /nfs/dbraw/zinc/07/79/27/273077927.db2.gz OFAODIHFMZSODU-UHFFFAOYSA-N 1 2 344.389 1.334 20 5 EDBDLO CCOC(=O)c1cc(C(=O)NCCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000171757562 272932242 /nfs/dbraw/zinc/93/22/42/272932242.db2.gz SRFVANIBEARHHR-UHFFFAOYSA-N 1 2 332.316 1.467 20 5 EDBDLO Cn1ncc2c1nc[nH+]c2N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276219181 273154197 /nfs/dbraw/zinc/15/41/97/273154197.db2.gz MNJYDRSVQWHXEG-UHFFFAOYSA-N 1 2 326.316 1.539 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000278339684 273259723 /nfs/dbraw/zinc/25/97/23/273259723.db2.gz NCDTVIDNAFXIEP-LLVKDONJSA-N 1 2 341.795 1.695 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000280778618 273397283 /nfs/dbraw/zinc/39/72/83/273397283.db2.gz CIUMCYUBSPYHDQ-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1nc(C2CC2)no1 ZINC000284800989 274337450 /nfs/dbraw/zinc/33/74/50/274337450.db2.gz ICAPNKOLANAWCL-LBPRGKRZSA-N 1 2 347.379 1.040 20 5 EDBDLO CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1nc(C2CC2)no1 ZINC000284800989 274337452 /nfs/dbraw/zinc/33/74/52/274337452.db2.gz ICAPNKOLANAWCL-LBPRGKRZSA-N 1 2 347.379 1.040 20 5 EDBDLO COc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000349342075 277376167 /nfs/dbraw/zinc/37/61/67/277376167.db2.gz CZJJBUGKZHEHCF-GFCCVEGCSA-N 1 2 338.282 1.967 20 5 EDBDLO COc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000349342075 277376168 /nfs/dbraw/zinc/37/61/68/277376168.db2.gz CZJJBUGKZHEHCF-GFCCVEGCSA-N 1 2 338.282 1.967 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287822249 288331679 /nfs/dbraw/zinc/33/16/79/288331679.db2.gz KZEJOPGOZMEBIA-ZDUSSCGKSA-N 1 2 347.419 1.310 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1C ZINC000289742587 288770816 /nfs/dbraw/zinc/77/08/16/288770816.db2.gz YEBUMGWPHFVVPG-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO COc1c(C)c[nH+]c(CN(C)c2nccc(C(N)=O)c2[N+](=O)[O-])c1C ZINC000290641573 288929608 /nfs/dbraw/zinc/92/96/08/288929608.db2.gz NQULKXSDFPPNQD-UHFFFAOYSA-N 1 2 345.359 1.746 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000332262094 290118238 /nfs/dbraw/zinc/11/82/38/290118238.db2.gz SZCDINJYCBONAN-NEPJUHHUSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000332262094 290118240 /nfs/dbraw/zinc/11/82/40/290118240.db2.gz SZCDINJYCBONAN-NEPJUHHUSA-N 1 2 325.752 1.403 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]21 ZINC000356912871 290119100 /nfs/dbraw/zinc/11/91/00/290119100.db2.gz NFQLDCTYMFXMPO-KBPBESRZSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]21 ZINC000356912871 290119104 /nfs/dbraw/zinc/11/91/04/290119104.db2.gz NFQLDCTYMFXMPO-KBPBESRZSA-N 1 2 330.344 1.231 20 5 EDBDLO NC(=O)[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000051131533 295157362 /nfs/dbraw/zinc/15/73/62/295157362.db2.gz HKZFDKQKZJCZSC-MRXNPFEDSA-N 1 2 338.363 1.632 20 5 EDBDLO NC(=O)[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000051131533 295157364 /nfs/dbraw/zinc/15/73/64/295157364.db2.gz HKZFDKQKZJCZSC-MRXNPFEDSA-N 1 2 338.363 1.632 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293763102 303014771 /nfs/dbraw/zinc/01/47/71/303014771.db2.gz KDSUQWUEJMLZBR-PHIMTYICSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293763102 303014772 /nfs/dbraw/zinc/01/47/72/303014772.db2.gz KDSUQWUEJMLZBR-PHIMTYICSA-N 1 2 327.406 1.616 20 5 EDBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c[nH+]1 ZINC000298733294 303550436 /nfs/dbraw/zinc/55/04/36/303550436.db2.gz TXVUVAYXFHFWJV-UHFFFAOYSA-N 1 2 344.375 1.942 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@]12CCOC2 ZINC000422061527 304828991 /nfs/dbraw/zinc/82/89/91/304828991.db2.gz FJYDDFVAGYJQIQ-INIZCTEOSA-N 1 2 328.328 1.786 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000431119544 305075442 /nfs/dbraw/zinc/07/54/42/305075442.db2.gz JZKXCZLKXUTIRL-NSHDSACASA-N 1 2 344.375 1.789 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000431119544 305075443 /nfs/dbraw/zinc/07/54/43/305075443.db2.gz JZKXCZLKXUTIRL-NSHDSACASA-N 1 2 344.375 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](O)C(F)F ZINC000435591211 305143086 /nfs/dbraw/zinc/14/30/86/305143086.db2.gz CUDSJMZOXWCTJG-CYBMUJFWSA-N 1 2 331.319 1.465 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000444917408 305254827 /nfs/dbraw/zinc/25/48/27/305254827.db2.gz FBQCAUSAQCHIDL-JSGCOSHPSA-N 1 2 336.348 1.150 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000444917408 305254828 /nfs/dbraw/zinc/25/48/28/305254828.db2.gz FBQCAUSAQCHIDL-JSGCOSHPSA-N 1 2 336.348 1.150 20 5 EDBDLO C[C@](O)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447813426 305286127 /nfs/dbraw/zinc/28/61/27/305286127.db2.gz RTYJICYUUZHJDU-KRWDZBQOSA-N 1 2 335.404 2.000 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000451437226 305346306 /nfs/dbraw/zinc/34/63/06/305346306.db2.gz SVOYGNYGCYJIKM-CQSZACIVSA-N 1 2 345.302 1.244 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000451437226 305346307 /nfs/dbraw/zinc/34/63/07/305346307.db2.gz SVOYGNYGCYJIKM-CQSZACIVSA-N 1 2 345.302 1.244 20 5 EDBDLO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000451946756 305373144 /nfs/dbraw/zinc/37/31/44/305373144.db2.gz MRDCUKOEDCTQIQ-GXFFZTMASA-N 1 2 336.373 1.917 20 5 EDBDLO CCOc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1OC ZINC000522250697 305802022 /nfs/dbraw/zinc/80/20/22/305802022.db2.gz SUBJNHGZXFZCCI-UHFFFAOYSA-N 1 2 346.343 1.896 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547757160 306110793 /nfs/dbraw/zinc/11/07/93/306110793.db2.gz JLFUZWPVERNJOV-LBPRGKRZSA-N 1 2 344.306 1.710 20 5 EDBDLO COc1ccc(CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000551921682 306168583 /nfs/dbraw/zinc/16/85/83/306168583.db2.gz CERUNXUZSHVLDR-LLVKDONJSA-N 1 2 330.344 1.543 20 5 EDBDLO COc1ccc(CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000551921682 306168584 /nfs/dbraw/zinc/16/85/84/306168584.db2.gz CERUNXUZSHVLDR-LLVKDONJSA-N 1 2 330.344 1.543 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000552012722 306173347 /nfs/dbraw/zinc/17/33/47/306173347.db2.gz POJQFLHKLIIGQQ-CYBMUJFWSA-N 1 2 326.316 1.571 20 5 EDBDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599735 441115247 /nfs/dbraw/zinc/11/52/47/441115247.db2.gz ZASMGTNEWJQPDS-LBPRGKRZSA-N 1 2 348.403 1.152 20 5 EDBDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599735 441115250 /nfs/dbraw/zinc/11/52/50/441115250.db2.gz ZASMGTNEWJQPDS-LBPRGKRZSA-N 1 2 348.403 1.152 20 5 EDBDLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022420148 441280673 /nfs/dbraw/zinc/28/06/73/441280673.db2.gz WNVVUFFNAXKYOB-MRXNPFEDSA-N 1 2 341.371 1.338 20 5 EDBDLO Cc1sc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000106030605 441323747 /nfs/dbraw/zinc/32/37/47/441323747.db2.gz GNZIHWBKNPFCEA-UHFFFAOYSA-N 1 2 349.416 1.656 20 5 EDBDLO Cc1cccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000106031086 441323967 /nfs/dbraw/zinc/32/39/67/441323967.db2.gz NRYMPSPMASPQBT-UHFFFAOYSA-N 1 2 343.387 1.595 20 5 EDBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169353 441352405 /nfs/dbraw/zinc/35/24/05/441352405.db2.gz ZVJTUZHPABKOMG-LBPRGKRZSA-N 1 2 345.359 1.726 20 5 EDBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169353 441352410 /nfs/dbraw/zinc/35/24/10/441352410.db2.gz ZVJTUZHPABKOMG-LBPRGKRZSA-N 1 2 345.359 1.726 20 5 EDBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197039 441369940 /nfs/dbraw/zinc/36/99/40/441369940.db2.gz VZYUCYIKMVQAHT-OCCSQVGLSA-N 1 2 333.388 1.983 20 5 EDBDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197039 441369945 /nfs/dbraw/zinc/36/99/45/441369945.db2.gz VZYUCYIKMVQAHT-OCCSQVGLSA-N 1 2 333.388 1.983 20 5 EDBDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000027564819 441406307 /nfs/dbraw/zinc/40/63/07/441406307.db2.gz JOYGOMKZGYRKCD-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000027564819 441406314 /nfs/dbraw/zinc/40/63/14/441406314.db2.gz JOYGOMKZGYRKCD-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051766452 441422752 /nfs/dbraw/zinc/42/27/52/441422752.db2.gz MRPLYQFTXQQQTE-UHFFFAOYSA-N 1 2 343.387 1.401 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000065780583 441484420 /nfs/dbraw/zinc/48/44/20/441484420.db2.gz OCBHRMPQBNVBQW-UHFFFAOYSA-N 1 2 344.375 1.362 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000075588327 441536728 /nfs/dbraw/zinc/53/67/28/441536728.db2.gz JEVWKOGMWKUUNX-KGLIPLIRSA-N 1 2 346.431 1.941 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000075588327 441536733 /nfs/dbraw/zinc/53/67/33/441536733.db2.gz JEVWKOGMWKUUNX-KGLIPLIRSA-N 1 2 346.431 1.941 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000113003099 441577671 /nfs/dbraw/zinc/57/76/71/441577671.db2.gz RSSUCOKZWMNIBH-NSHDSACASA-N 1 2 330.406 1.858 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000113003099 441577675 /nfs/dbraw/zinc/57/76/75/441577675.db2.gz RSSUCOKZWMNIBH-NSHDSACASA-N 1 2 330.406 1.858 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000115390145 441735565 /nfs/dbraw/zinc/73/55/65/441735565.db2.gz JWKVRAAPWDUSLX-UHFFFAOYSA-N 1 2 347.375 1.496 20 5 EDBDLO C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000161528647 442009634 /nfs/dbraw/zinc/00/96/34/442009634.db2.gz GYDZGPYFWWSEDR-GXTWGEPZSA-N 1 2 347.379 1.281 20 5 EDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C(N)=O)CCCC1 ZINC000120143425 442015273 /nfs/dbraw/zinc/01/52/73/442015273.db2.gz DGIGLTRCCSNVQS-UHFFFAOYSA-N 1 2 335.360 1.691 20 5 EDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(C(N)=O)CCCC1 ZINC000120143425 442015277 /nfs/dbraw/zinc/01/52/77/442015277.db2.gz DGIGLTRCCSNVQS-UHFFFAOYSA-N 1 2 335.360 1.691 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151607550 442092181 /nfs/dbraw/zinc/09/21/81/442092181.db2.gz JKLHJWRMSGCRLQ-LLVKDONJSA-N 1 2 339.417 1.657 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000170785553 442264297 /nfs/dbraw/zinc/26/42/97/442264297.db2.gz MKJPQUFOQDERNG-UHFFFAOYSA-N 1 2 343.387 1.838 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000170785553 442264300 /nfs/dbraw/zinc/26/43/00/442264300.db2.gz MKJPQUFOQDERNG-UHFFFAOYSA-N 1 2 343.387 1.838 20 5 EDBDLO CCCCOCCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153037132 442257821 /nfs/dbraw/zinc/25/78/21/442257821.db2.gz OBXFPXOIVLAQLW-UHFFFAOYSA-N 1 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ZINC000172302516 442439854 /nfs/dbraw/zinc/43/98/54/442439854.db2.gz OSLWOQIOYXUFBK-STQMWFEESA-N 1 2 337.376 1.395 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134539786 442493074 /nfs/dbraw/zinc/49/30/74/442493074.db2.gz SGMPAILOBCKCME-UHFFFAOYSA-N 1 2 338.389 1.811 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134608091 442500547 /nfs/dbraw/zinc/50/05/47/442500547.db2.gz LKQBZZJIZGEZFH-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO CS(=O)(=O)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179902590 442517650 /nfs/dbraw/zinc/51/76/50/442517650.db2.gz QYSZNBQYQZTXJF-QPJJXVBHSA-N 1 2 339.417 1.575 20 5 EDBDLO CS(=O)(=O)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179902590 442517657 /nfs/dbraw/zinc/51/76/57/442517657.db2.gz QYSZNBQYQZTXJF-QPJJXVBHSA-N 1 2 339.417 1.575 20 5 EDBDLO Cc1cc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc[nH+]1 ZINC000136067685 442648480 /nfs/dbraw/zinc/64/84/80/442648480.db2.gz OKLFOFSWJQQGKC-UHFFFAOYSA-N 1 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ZINC000183537519 442939850 /nfs/dbraw/zinc/93/98/50/442939850.db2.gz PXWBHIKGSXANNV-UHFFFAOYSA-N 1 2 327.344 1.664 20 5 EDBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)c2ccccc2C1 ZINC000183537519 442939855 /nfs/dbraw/zinc/93/98/55/442939855.db2.gz PXWBHIKGSXANNV-UHFFFAOYSA-N 1 2 327.344 1.664 20 5 EDBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccncc1[N+](=O)[O-] ZINC000183582424 442943424 /nfs/dbraw/zinc/94/34/24/442943424.db2.gz AIVDUANVRIFQRX-UHFFFAOYSA-N 1 2 339.315 1.892 20 5 EDBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C(N)=O)C1 ZINC000249606464 442995268 /nfs/dbraw/zinc/99/52/68/442995268.db2.gz ZVLFLCPPNUXMHX-ZWNOBZJWSA-N 1 2 345.359 1.731 20 5 EDBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C(N)=O)C1 ZINC000249606464 442995271 /nfs/dbraw/zinc/99/52/71/442995271.db2.gz ZVLFLCPPNUXMHX-ZWNOBZJWSA-N 1 2 345.359 1.731 20 5 EDBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000195476602 443023056 /nfs/dbraw/zinc/02/30/56/443023056.db2.gz LCXGLKHOVUZLOG-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000268824159 443119525 /nfs/dbraw/zinc/11/95/25/443119525.db2.gz YNMULSZHHSBDSQ-BXKDBHETSA-N 1 2 343.380 1.495 20 5 EDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000268824159 443119531 /nfs/dbraw/zinc/11/95/31/443119531.db2.gz YNMULSZHHSBDSQ-BXKDBHETSA-N 1 2 343.380 1.495 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266582933 443175735 /nfs/dbraw/zinc/17/57/35/443175735.db2.gz VFFPUWQJNRTFHP-LBPRGKRZSA-N 1 2 335.360 1.095 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000351022892 319087187 /nfs/dbraw/zinc/08/71/87/319087187.db2.gz IIIUASYDJDAUHW-ZWNOBZJWSA-N 1 2 333.348 1.909 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000351022892 319087189 /nfs/dbraw/zinc/08/71/89/319087189.db2.gz IIIUASYDJDAUHW-ZWNOBZJWSA-N 1 2 333.348 1.909 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000191439653 443295037 /nfs/dbraw/zinc/29/50/37/443295037.db2.gz BSIBOLFAYKZWTH-OAHLLOKOSA-N 1 2 334.420 1.438 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000191439653 443295041 /nfs/dbraw/zinc/29/50/41/443295041.db2.gz BSIBOLFAYKZWTH-OAHLLOKOSA-N 1 2 334.420 1.438 20 5 EDBDLO CCC[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000264642847 443358621 /nfs/dbraw/zinc/35/86/21/443358621.db2.gz VSCOYRUKQQZWJW-CZUORRHYSA-N 1 2 340.376 1.656 20 5 EDBDLO CC[N@@H+]1CCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272882654 443477819 /nfs/dbraw/zinc/47/78/19/443477819.db2.gz VYQUUBXANWQBHS-SECBINFHSA-N 1 2 333.435 1.956 20 5 EDBDLO CC[N@H+]1CCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272882654 443477824 /nfs/dbraw/zinc/47/78/24/443477824.db2.gz VYQUUBXANWQBHS-SECBINFHSA-N 1 2 333.435 1.956 20 5 EDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CCSCC2)cc1 ZINC000264882229 443465574 /nfs/dbraw/zinc/46/55/74/443465574.db2.gz UWLRRYFKDOQUOK-UHFFFAOYSA-N 1 2 345.446 1.063 20 5 EDBDLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272965137 443504270 /nfs/dbraw/zinc/50/42/70/443504270.db2.gz ANDKUVXRRRYBNW-NSHDSACASA-N 1 2 326.349 1.266 20 5 EDBDLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000267793353 443579820 /nfs/dbraw/zinc/57/98/20/443579820.db2.gz JUEPJNAVLMJRFT-DZGCQCFKSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000267793353 443579826 /nfs/dbraw/zinc/57/98/26/443579826.db2.gz JUEPJNAVLMJRFT-DZGCQCFKSA-N 1 2 338.360 1.362 20 5 EDBDLO Cc1cc(N2CCS(=O)(=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267846793 443596557 /nfs/dbraw/zinc/59/65/57/443596557.db2.gz DDTNVYONZVSMPP-UHFFFAOYSA-N 1 2 348.384 1.595 20 5 EDBDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000440120018 320063485 /nfs/dbraw/zinc/06/34/85/320063485.db2.gz ROSDMUBJHHDAQR-GFCCVEGCSA-N 1 2 330.344 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NC(=O)c1ccnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000290999317 443729479 /nfs/dbraw/zinc/72/94/79/443729479.db2.gz UYXXTOACIUOPPI-JTQLQIEISA-N 1 2 328.332 1.175 20 5 EDBDLO C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276746421 443810800 /nfs/dbraw/zinc/81/08/00/443810800.db2.gz DNNQZJZUENUINL-SNVBAGLBSA-N 1 2 348.338 1.731 20 5 EDBDLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276746421 443810803 /nfs/dbraw/zinc/81/08/03/443810803.db2.gz DNNQZJZUENUINL-SNVBAGLBSA-N 1 2 348.338 1.731 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000285326800 443943117 /nfs/dbraw/zinc/94/31/17/443943117.db2.gz IKTNBJBZJQGKKM-JKSUJKDBSA-N 1 2 348.403 1.252 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000285326800 443943120 /nfs/dbraw/zinc/94/31/20/443943120.db2.gz IKTNBJBZJQGKKM-JKSUJKDBSA-N 1 2 348.403 1.252 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC=C(Br)C2)c1 ZINC000281688119 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EDBDLO C[N@@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301974213 444199210 /nfs/dbraw/zinc/19/92/10/444199210.db2.gz BPULEOVEVXFZMM-SECBINFHSA-N 1 2 333.435 1.814 20 5 EDBDLO C[N@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301974213 444199211 /nfs/dbraw/zinc/19/92/11/444199211.db2.gz BPULEOVEVXFZMM-SECBINFHSA-N 1 2 333.435 1.814 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000580927291 322112145 /nfs/dbraw/zinc/11/21/45/322112145.db2.gz IAPRIJKQGFPQLA-LLVKDONJSA-N 1 2 337.376 1.362 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000580927291 322112146 /nfs/dbraw/zinc/11/21/46/322112146.db2.gz IAPRIJKQGFPQLA-LLVKDONJSA-N 1 2 337.376 1.362 20 5 EDBDLO C[C@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000581529590 322187575 /nfs/dbraw/zinc/18/75/75/322187575.db2.gz NJSLCAKVAWFMNM-MRXNPFEDSA-N 1 2 330.344 1.768 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338256070 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O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343360153 445209483 /nfs/dbraw/zinc/20/94/83/445209483.db2.gz LJACTAWBOBZNJO-UHFFFAOYSA-N 1 2 327.304 1.070 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(CN3CCn4cc[nH+]c4C3)n2)c1 ZINC000357059625 445400873 /nfs/dbraw/zinc/40/08/73/445400873.db2.gz XMFXWOVIKQPJEO-UHFFFAOYSA-N 1 2 326.316 1.857 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000360201601 445624830 /nfs/dbraw/zinc/62/48/30/445624830.db2.gz CROZDPLGCYVNEQ-NSHDSACASA-N 1 2 327.406 1.536 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)c1C ZINC000360201601 445624832 /nfs/dbraw/zinc/62/48/32/445624832.db2.gz CROZDPLGCYVNEQ-NSHDSACASA-N 1 2 327.406 1.536 20 5 EDBDLO CCOC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353532306 445645692 /nfs/dbraw/zinc/64/56/92/445645692.db2.gz WCMWYJMORBRUCK-LSDHHAIUSA-N 1 2 334.376 1.405 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000356345949 445745353 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347.371 1.808 20 5 EDBDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000373182544 446081318 /nfs/dbraw/zinc/08/13/18/446081318.db2.gz JRGQOCNZQOMCSJ-LBPRGKRZSA-N 1 2 347.371 1.808 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000359340257 446160405 /nfs/dbraw/zinc/16/04/05/446160405.db2.gz BWQRUADPOCGTQN-UHFFFAOYSA-N 1 2 329.360 1.584 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359475657 446246431 /nfs/dbraw/zinc/24/64/31/446246431.db2.gz AWITVWFLZWMQJR-NSHDSACASA-N 1 2 347.331 1.140 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000365604275 446270240 /nfs/dbraw/zinc/27/02/40/446270240.db2.gz WTDMXCDJCSRTRP-OAHLLOKOSA-N 1 2 348.403 1.253 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000433171917 446542578 /nfs/dbraw/zinc/54/25/78/446542578.db2.gz FUXHQOQGBQIGEV-AWEZNQCLSA-N 1 2 339.392 1.559 20 5 EDBDLO 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O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NC(C1CC1)C1CC1 ZINC000369011435 447262070 /nfs/dbraw/zinc/26/20/70/447262070.db2.gz QTJFAGGETDAPMC-CQSZACIVSA-N 1 2 347.419 1.733 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000494637194 447452853 /nfs/dbraw/zinc/45/28/53/447452853.db2.gz NCWZFCDLDVGARQ-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457037465 447504855 /nfs/dbraw/zinc/50/48/55/447504855.db2.gz XKVPOJSYNALORO-ZDUSSCGKSA-N 1 2 328.328 1.482 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000495928898 447650478 /nfs/dbraw/zinc/65/04/78/447650478.db2.gz AQKKNCKBZNSDFE-GFCCVEGCSA-N 1 2 325.369 1.528 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000495928898 447650486 /nfs/dbraw/zinc/65/04/86/447650486.db2.gz AQKKNCKBZNSDFE-GFCCVEGCSA-N 1 2 325.369 1.528 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C 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FIEVLRMSVPUDSY-UHFFFAOYSA-N 1 2 343.269 1.097 20 5 EDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnnn1CC(F)(F)F)CC2 ZINC000429330147 447740859 /nfs/dbraw/zinc/74/08/59/447740859.db2.gz FIEVLRMSVPUDSY-UHFFFAOYSA-N 1 2 343.269 1.097 20 5 EDBDLO COCC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451832340 447757586 /nfs/dbraw/zinc/75/75/86/447757586.db2.gz FZNZZFJVKUSDIQ-CYBMUJFWSA-N 1 2 348.359 1.562 20 5 EDBDLO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cscn1 ZINC000422918572 447772448 /nfs/dbraw/zinc/77/24/48/447772448.db2.gz HPFZNIYTJHGANB-CQSZACIVSA-N 1 2 347.400 1.400 20 5 EDBDLO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000496628387 447836511 /nfs/dbraw/zinc/83/65/11/447836511.db2.gz XJJCEGSLJNMXRU-NSHDSACASA-N 1 2 345.359 1.745 20 5 EDBDLO O=C1OCCN1C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000496628387 447836512 /nfs/dbraw/zinc/83/65/12/447836512.db2.gz XJJCEGSLJNMXRU-NSHDSACASA-N 1 2 345.359 1.745 20 5 EDBDLO C[C@H]1C[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000523463145 447887845 /nfs/dbraw/zinc/88/78/45/447887845.db2.gz XMXMICUKKLTKPK-NSHDSACASA-N 1 2 334.376 1.612 20 5 EDBDLO C[C@H]1C[N@@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000523463145 447887852 /nfs/dbraw/zinc/88/78/52/447887852.db2.gz XMXMICUKKLTKPK-NSHDSACASA-N 1 2 334.376 1.612 20 5 EDBDLO Cc1nc2[nH]ccc2c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]1 ZINC000531195373 448036688 /nfs/dbraw/zinc/03/66/88/448036688.db2.gz AZIZGDWVACBTHR-UHFFFAOYSA-N 1 2 339.359 1.896 20 5 EDBDLO Nc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]c2ccccc12 ZINC000576573701 448086798 /nfs/dbraw/zinc/08/67/98/448086798.db2.gz XMCDBPFWTNEVCK-UHFFFAOYSA-N 1 2 339.359 2.158 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000555813230 448092389 /nfs/dbraw/zinc/09/23/89/448092389.db2.gz AISZTUDEDNNMAT-CYBMUJFWSA-N 1 2 336.392 1.457 20 5 EDBDLO CC(C)(C)OC(=O)N1CC[NH+](CCn2nccc2[N+](=O)[O-])CC1 ZINC000497033812 448141925 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ZINC000597862097 449127729 /nfs/dbraw/zinc/12/77/29/449127729.db2.gz GFCZIXVHKRJLNP-LLVKDONJSA-N 1 2 347.331 1.174 20 5 EDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597862097 449127732 /nfs/dbraw/zinc/12/77/32/449127732.db2.gz GFCZIXVHKRJLNP-LLVKDONJSA-N 1 2 347.331 1.174 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863235 449128203 /nfs/dbraw/zinc/12/82/03/449128203.db2.gz LRRBLWFDILNNPJ-LLVKDONJSA-N 1 2 335.368 1.209 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863235 449128206 /nfs/dbraw/zinc/12/82/06/449128206.db2.gz LRRBLWFDILNNPJ-LLVKDONJSA-N 1 2 335.368 1.209 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000597849023 449121986 /nfs/dbraw/zinc/12/19/86/449121986.db2.gz YUMNSSSNHRPLRM-HNNXBMFYSA-N 1 2 346.387 1.747 20 5 EDBDLO C[C@H]1CN(c2ccc(CNc3ccc(N)c([N+](=O)[O-])n3)c[nH+]2)CCO1 ZINC000590573353 449197695 /nfs/dbraw/zinc/19/76/95/449197695.db2.gz XJIJXXWGZUEDQT-NSHDSACASA-N 1 2 344.375 1.804 20 5 EDBDLO O=C(NCC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593812285 449211066 /nfs/dbraw/zinc/21/10/66/449211066.db2.gz AHGRILWUCHJBAQ-INIZCTEOSA-N 1 2 346.343 1.052 20 5 EDBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000611196266 449212463 /nfs/dbraw/zinc/21/24/63/449212463.db2.gz CPJSVCKNUUHFHM-LBPRGKRZSA-N 1 2 344.371 1.623 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597998573 449183697 /nfs/dbraw/zinc/18/36/97/449183697.db2.gz ULCAVDNKZWTXRO-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597998573 449183704 /nfs/dbraw/zinc/18/37/04/449183704.db2.gz ULCAVDNKZWTXRO-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597998570 449184238 /nfs/dbraw/zinc/18/42/38/449184238.db2.gz ULCAVDNKZWTXRO-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597998570 449184241 /nfs/dbraw/zinc/18/42/41/449184241.db2.gz ULCAVDNKZWTXRO-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO CN(C(=O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000601969117 449251211 /nfs/dbraw/zinc/25/12/11/449251211.db2.gz JFQGPOHWOZKGLQ-OAHLLOKOSA-N 1 2 348.403 1.500 20 5 EDBDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000601969117 449251216 /nfs/dbraw/zinc/25/12/16/449251216.db2.gz JFQGPOHWOZKGLQ-OAHLLOKOSA-N 1 2 348.403 1.500 20 5 EDBDLO C[C@]1(C(F)F)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595916862 449252239 /nfs/dbraw/zinc/25/22/39/449252239.db2.gz PECHXWAGWRBDOI-SWLSCSKDSA-N 1 2 346.330 1.691 20 5 EDBDLO C[C@]1(C(F)F)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595916862 449252243 /nfs/dbraw/zinc/25/22/43/449252243.db2.gz PECHXWAGWRBDOI-SWLSCSKDSA-N 1 2 346.330 1.691 20 5 EDBDLO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000598151352 449260588 /nfs/dbraw/zinc/26/05/88/449260588.db2.gz XEDPPCZLXYVYNM-LLVKDONJSA-N 1 2 339.779 1.795 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615667 449359135 /nfs/dbraw/zinc/35/91/35/449359135.db2.gz ZPUSYKHKYOBKGD-UHFFFAOYSA-N 1 2 349.435 1.597 20 5 EDBDLO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000600624469 449463950 /nfs/dbraw/zinc/46/39/50/449463950.db2.gz ZYJIPCZQRPVBLY-KWCYVHTRSA-N 1 2 349.387 1.672 20 5 EDBDLO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000600624469 449463958 /nfs/dbraw/zinc/46/39/58/449463958.db2.gz ZYJIPCZQRPVBLY-KWCYVHTRSA-N 1 2 349.387 1.672 20 5 EDBDLO CC(C)Oc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596426488 449497036 /nfs/dbraw/zinc/49/70/36/449497036.db2.gz AQVWGYVUANRSBU-QWHCGFSZSA-N 1 2 338.408 2.298 20 5 EDBDLO CC(C)Oc1nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596426488 449497042 /nfs/dbraw/zinc/49/70/42/449497042.db2.gz AQVWGYVUANRSBU-QWHCGFSZSA-N 1 2 338.408 2.298 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000598944690 449662593 /nfs/dbraw/zinc/66/25/93/449662593.db2.gz SWJDXMZHKGTGLM-LBPRGKRZSA-N 1 2 330.344 1.610 20 5 EDBDLO COc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598946305 449663897 /nfs/dbraw/zinc/66/38/97/449663897.db2.gz GIJINJMMKXAIGS-LBPRGKRZSA-N 1 2 330.344 1.474 20 5 EDBDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594748532 449664068 /nfs/dbraw/zinc/66/40/68/449664068.db2.gz MCAKRADFDUSQLJ-LLVKDONJSA-N 1 2 328.394 1.143 20 5 EDBDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594748532 449664076 /nfs/dbraw/zinc/66/40/76/449664076.db2.gz MCAKRADFDUSQLJ-LLVKDONJSA-N 1 2 328.394 1.143 20 5 EDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000594764873 449677596 /nfs/dbraw/zinc/67/75/96/449677596.db2.gz CZGMJJMIRKRSMH-MNOVXSKESA-N 1 2 328.394 1.093 20 5 EDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000594764873 449677601 /nfs/dbraw/zinc/67/76/01/449677601.db2.gz CZGMJJMIRKRSMH-MNOVXSKESA-N 1 2 328.394 1.093 20 5 EDBDLO C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1[nH+]ccn1C ZINC000598887840 449631248 /nfs/dbraw/zinc/63/12/48/449631248.db2.gz DEOYPOHBHQBBDM-VIFPVBQESA-N 1 2 345.315 1.114 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599129941 449752578 /nfs/dbraw/zinc/75/25/78/449752578.db2.gz FVAFQEVQEBBGFO-INIZCTEOSA-N 1 2 336.392 1.326 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599129941 449752584 /nfs/dbraw/zinc/75/25/84/449752584.db2.gz FVAFQEVQEBBGFO-INIZCTEOSA-N 1 2 336.392 1.326 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199279 449792545 /nfs/dbraw/zinc/79/25/45/449792545.db2.gz IWCVNEILIKJLPW-VIFPVBQESA-N 1 2 330.182 1.836 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199279 449792551 /nfs/dbraw/zinc/79/25/51/449792551.db2.gz IWCVNEILIKJLPW-VIFPVBQESA-N 1 2 330.182 1.836 20 5 EDBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601611544 450111711 /nfs/dbraw/zinc/11/17/11/450111711.db2.gz IRKLPBGBRNUPFP-GFCCVEGCSA-N 1 2 337.351 1.671 20 5 EDBDLO CCc1cc(N[C@@H](C)CC(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610210555 450154506 /nfs/dbraw/zinc/15/45/06/450154506.db2.gz GBTNWRBTPGNIDI-JTQLQIEISA-N 1 2 329.360 1.712 20 5 EDBDLO Nc1n[nH]c(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000595490306 450180524 /nfs/dbraw/zinc/18/05/24/450180524.db2.gz PKZTZHJTURYWLA-UHFFFAOYSA-N 1 2 338.318 1.953 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000601734244 450198453 /nfs/dbraw/zinc/19/84/53/450198453.db2.gz IMUDGGATTHLCGC-CYBMUJFWSA-N 1 2 325.340 1.065 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000601734244 450198461 /nfs/dbraw/zinc/19/84/61/450198461.db2.gz IMUDGGATTHLCGC-CYBMUJFWSA-N 1 2 325.340 1.065 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000619298791 450450237 /nfs/dbraw/zinc/45/02/37/450450237.db2.gz CIPWNZARCRDOCW-SMDDNHRTSA-N 1 2 337.376 1.442 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000619298791 450450239 /nfs/dbraw/zinc/45/02/39/450450239.db2.gz CIPWNZARCRDOCW-SMDDNHRTSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000619437731 450473081 /nfs/dbraw/zinc/47/30/81/450473081.db2.gz QLXUTYYLJQSXBR-CYBMUJFWSA-N 1 2 349.387 1.540 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000619494913 450491000 /nfs/dbraw/zinc/49/10/00/450491000.db2.gz VKPFULNGOCLFKM-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000619494913 450491004 /nfs/dbraw/zinc/49/10/04/450491004.db2.gz VKPFULNGOCLFKM-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccoc1 ZINC000345093720 536174286 /nfs/dbraw/zinc/17/42/86/536174286.db2.gz VGYKAECNJFYRFP-UHFFFAOYSA-N 1 2 333.300 1.987 20 5 EDBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccoc1 ZINC000345093720 536174294 /nfs/dbraw/zinc/17/42/94/536174294.db2.gz VGYKAECNJFYRFP-UHFFFAOYSA-N 1 2 333.300 1.987 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000270969138 536695572 /nfs/dbraw/zinc/69/55/72/536695572.db2.gz BNAVOKIFSOCGGB-ZDUSSCGKSA-N 1 2 332.316 1.140 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000270969138 536695576 /nfs/dbraw/zinc/69/55/76/536695576.db2.gz BNAVOKIFSOCGGB-ZDUSSCGKSA-N 1 2 332.316 1.140 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000726789075 578360266 /nfs/dbraw/zinc/36/02/66/578360266.db2.gz OJADPDGSQLXKNM-UHFFFAOYSA-N 1 2 349.387 1.927 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000729384986 578566806 /nfs/dbraw/zinc/56/68/06/578566806.db2.gz JULLMQUBFFTAQB-GFCCVEGCSA-N 1 2 336.392 1.111 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000729384986 578566807 /nfs/dbraw/zinc/56/68/07/578566807.db2.gz JULLMQUBFFTAQB-GFCCVEGCSA-N 1 2 336.392 1.111 20 5 EDBDLO CCCC[N@H+](CCOC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000731662312 578678007 /nfs/dbraw/zinc/67/80/07/578678007.db2.gz MNMLTHCDPZGGSV-UHFFFAOYSA-N 1 2 335.360 1.897 20 5 EDBDLO CCCC[N@@H+](CCOC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000731662312 578678008 /nfs/dbraw/zinc/67/80/08/578678008.db2.gz MNMLTHCDPZGGSV-UHFFFAOYSA-N 1 2 335.360 1.897 20 5 EDBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000746101463 579571983 /nfs/dbraw/zinc/57/19/83/579571983.db2.gz FHKSUSVGGLMYQW-SNVBAGLBSA-N 1 2 332.316 1.414 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000755959296 579939742 /nfs/dbraw/zinc/93/97/42/579939742.db2.gz ZINTWUNBOIYFPG-QFIPXVFZSA-N 1 2 329.397 1.230 20 5 EDBDLO Cc1cn(C[N@H+]2CCCOC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772821132 580321253 /nfs/dbraw/zinc/32/12/53/580321253.db2.gz JRFZJXVXUPBKFT-CQSZACIVSA-N 1 2 346.387 1.924 20 5 EDBDLO Cc1cn(C[N@@H+]2CCCOC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772821132 580321254 /nfs/dbraw/zinc/32/12/54/580321254.db2.gz JRFZJXVXUPBKFT-CQSZACIVSA-N 1 2 346.387 1.924 20 5 EDBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775063235 580381991 /nfs/dbraw/zinc/38/19/91/580381991.db2.gz OSKYVNWGPNJLCQ-GFCCVEGCSA-N 1 2 349.347 1.539 20 5 EDBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775063235 580381992 /nfs/dbraw/zinc/38/19/92/580381992.db2.gz OSKYVNWGPNJLCQ-GFCCVEGCSA-N 1 2 349.347 1.539 20 5 EDBDLO COc1ccc(CON=C(N)C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000780128920 580514436 /nfs/dbraw/zinc/51/44/36/580514436.db2.gz SXXVZVVXIUVTIN-UHFFFAOYSA-N 1 2 340.405 1.651 20 5 EDBDLO CC[S@@](=O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780765012 580533335 /nfs/dbraw/zinc/53/33/35/580533335.db2.gz URSLBZJKIXCHQY-LFVRLGFBSA-N 1 2 336.417 1.776 20 5 EDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCn1cc[nH+]c1 ZINC000781739216 580556272 /nfs/dbraw/zinc/55/62/72/580556272.db2.gz APXQLTDBAVHGKS-UHFFFAOYSA-N 1 2 334.288 1.876 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000784922534 580632278 /nfs/dbraw/zinc/63/22/78/580632278.db2.gz VGWDTLWAAPOOQW-LLVKDONJSA-N 1 2 342.323 1.377 20 5 EDBDLO NS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000785986329 580657507 /nfs/dbraw/zinc/65/75/07/580657507.db2.gz SPEBKXQMECJZAB-UHFFFAOYSA-N 1 2 333.797 1.501 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800124978 581043972 /nfs/dbraw/zinc/04/39/72/581043972.db2.gz WWUULWREQOKZDS-LBPRGKRZSA-N 1 2 340.401 1.951 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800124978 581043973 /nfs/dbraw/zinc/04/39/73/581043973.db2.gz WWUULWREQOKZDS-LBPRGKRZSA-N 1 2 340.401 1.951 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000800141559 581044856 /nfs/dbraw/zinc/04/48/56/581044856.db2.gz CYPNTTISKJDASP-NSHDSACASA-N 1 2 333.344 1.954 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000800141559 581044857 /nfs/dbraw/zinc/04/48/57/581044857.db2.gz CYPNTTISKJDASP-NSHDSACASA-N 1 2 333.344 1.954 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CCO1 ZINC000800178679 581046460 /nfs/dbraw/zinc/04/64/60/581046460.db2.gz DRMODYUQVYHREA-VIFPVBQESA-N 1 2 330.287 1.751 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CCO1 ZINC000800178679 581046461 /nfs/dbraw/zinc/04/64/61/581046461.db2.gz DRMODYUQVYHREA-VIFPVBQESA-N 1 2 330.287 1.751 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2cncs2)CC1 ZINC000894855102 591445098 /nfs/dbraw/zinc/44/50/98/591445098.db2.gz HYTPXXPKQGADCN-UHFFFAOYSA-N 1 2 336.421 1.898 20 5 EDBDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000839593538 593346364 /nfs/dbraw/zinc/34/63/64/593346364.db2.gz WFJLEIGJJREIBJ-GFCCVEGCSA-N 1 2 340.767 1.397 20 5 EDBDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000839593538 593346367 /nfs/dbraw/zinc/34/63/67/593346367.db2.gz WFJLEIGJJREIBJ-GFCCVEGCSA-N 1 2 340.767 1.397 20 5 EDBDLO COC(=O)c1conc1C(C)(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823679994 593832924 /nfs/dbraw/zinc/83/29/24/593832924.db2.gz DSNZRAYOGQAFEF-CYBMUJFWSA-N 1 2 349.343 1.928 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000820677076 593860556 /nfs/dbraw/zinc/86/05/56/593860556.db2.gz TZNJGAMFBCKNOF-GFCCVEGCSA-N 1 2 345.346 1.662 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000822503046 594058831 /nfs/dbraw/zinc/05/88/31/594058831.db2.gz DJIXOSWWXNKISN-CYBMUJFWSA-N 1 2 332.320 1.932 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000822503046 594058833 /nfs/dbraw/zinc/05/88/33/594058833.db2.gz DJIXOSWWXNKISN-CYBMUJFWSA-N 1 2 332.320 1.932 20 5 EDBDLO COc1c(C)c[nH+]c(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000825521534 594196614 /nfs/dbraw/zinc/19/66/14/594196614.db2.gz ACBKFKNJGVVGJQ-OAHLLOKOSA-N 1 2 345.355 1.965 20 5 EDBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000825693612 594227328 /nfs/dbraw/zinc/22/73/28/594227328.db2.gz FKZWOJAMEBMEKF-CABCVRRESA-N 1 2 330.344 1.688 20 5 EDBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827634871 594249269 /nfs/dbraw/zinc/24/92/69/594249269.db2.gz FKWYAFQUDXHNOQ-CJNGLKHVSA-N 1 2 342.355 1.418 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826725513 594565109 /nfs/dbraw/zinc/56/51/09/594565109.db2.gz XXWJHJLEHCGHGX-AWEZNQCLSA-N 1 2 329.360 1.403 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826725513 594565112 /nfs/dbraw/zinc/56/51/12/594565112.db2.gz XXWJHJLEHCGHGX-AWEZNQCLSA-N 1 2 329.360 1.403 20 5 EDBDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000842642738 595154450 /nfs/dbraw/zinc/15/44/50/595154450.db2.gz LCKTYLAIBAKUCJ-LLVKDONJSA-N 1 2 335.286 1.058 20 5 EDBDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000842642738 595154452 /nfs/dbraw/zinc/15/44/52/595154452.db2.gz LCKTYLAIBAKUCJ-LLVKDONJSA-N 1 2 335.286 1.058 20 5 EDBDLO CC1(C)COC(=O)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000837634221 595157774 /nfs/dbraw/zinc/15/77/74/595157774.db2.gz ACFSCKSUABNJOR-ZDUSSCGKSA-N 1 2 344.327 1.462 20 5 EDBDLO C[N@H+](CCn1cccn1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478400 595389751 /nfs/dbraw/zinc/38/97/51/595389751.db2.gz MPLASHZKGDXIJZ-MRXNPFEDSA-N 1 2 343.387 1.697 20 5 EDBDLO C[N@@H+](CCn1cccn1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478400 595389752 /nfs/dbraw/zinc/38/97/52/595389752.db2.gz MPLASHZKGDXIJZ-MRXNPFEDSA-N 1 2 343.387 1.697 20 5 EDBDLO CNc1nccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000847407201 595413011 /nfs/dbraw/zinc/41/30/11/595413011.db2.gz GUUQOZAHHCGSEV-UHFFFAOYSA-N 1 2 345.359 1.982 20 5 EDBDLO O=[N+]([O-])c1cn(CN2CCn3c[nH+]cc3C2)nc1-c1ccccn1 ZINC000853515715 595778806 /nfs/dbraw/zinc/77/88/06/595778806.db2.gz PXGMCPGOBXJTDN-UHFFFAOYSA-N 1 2 325.332 1.523 20 5 EDBDLO NC(C[NH+]1CCSCC1)=NOCc1ccc(F)cc1[N+](=O)[O-] ZINC000853688019 595856078 /nfs/dbraw/zinc/85/60/78/595856078.db2.gz CGAZGCBHCSRIRX-UHFFFAOYSA-N 1 2 328.369 1.781 20 5 EDBDLO COC(=O)N(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000855934153 595862724 /nfs/dbraw/zinc/86/27/24/595862724.db2.gz JXOVZNFTEZWDTO-UHFFFAOYSA-N 1 2 347.331 1.209 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854352484 596047274 /nfs/dbraw/zinc/04/72/74/596047274.db2.gz DJISIRHBTJMBMP-WKOYGUFESA-N 1 2 344.415 1.504 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854352484 596047280 /nfs/dbraw/zinc/04/72/80/596047280.db2.gz DJISIRHBTJMBMP-WKOYGUFESA-N 1 2 344.415 1.504 20 5 EDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000852435657 596161552 /nfs/dbraw/zinc/16/15/52/596161552.db2.gz SBFFQCVENYWISF-NSHDSACASA-N 1 2 332.316 1.763 20 5 EDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000852435657 596161555 /nfs/dbraw/zinc/16/15/55/596161555.db2.gz SBFFQCVENYWISF-NSHDSACASA-N 1 2 332.316 1.763 20 5 EDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000852437327 596162151 /nfs/dbraw/zinc/16/21/51/596162151.db2.gz AHOMFFGEHPRWOJ-LLVKDONJSA-N 1 2 331.332 1.498 20 5 EDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000852437327 596162154 /nfs/dbraw/zinc/16/21/54/596162154.db2.gz AHOMFFGEHPRWOJ-LLVKDONJSA-N 1 2 331.332 1.498 20 5 EDBDLO COC[C@H]1CCCN1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000862591359 596353041 /nfs/dbraw/zinc/35/30/41/596353041.db2.gz KRJHGMOHEWIOQX-CYBMUJFWSA-N 1 2 345.359 1.536 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863295862 596541793 /nfs/dbraw/zinc/54/17/93/596541793.db2.gz CMNSTCXPDMSIAF-HNNXBMFYSA-N 1 2 334.332 1.166 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863295862 596541794 /nfs/dbraw/zinc/54/17/94/596541794.db2.gz CMNSTCXPDMSIAF-HNNXBMFYSA-N 1 2 334.332 1.166 20 5 EDBDLO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCn3cc[nH+]c32)C1=O ZINC000863511011 596606260 /nfs/dbraw/zinc/60/62/60/596606260.db2.gz VJDDEOVQVFPSET-WBMJQRKESA-N 1 2 341.327 1.703 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865795705 596686321 /nfs/dbraw/zinc/68/63/21/596686321.db2.gz LKCYXMNTNSZKEM-YPMHNXCESA-N 1 2 339.367 1.526 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069520 596734501 /nfs/dbraw/zinc/73/45/01/596734501.db2.gz JGEMIXBKCLIHSQ-OAHLLOKOSA-N 1 2 349.387 1.076 20 5 EDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cs1 ZINC000119861679 596760919 /nfs/dbraw/zinc/76/09/19/596760919.db2.gz SJNPHXSPCBZVGI-SNVBAGLBSA-N 1 2 329.403 1.291 20 5 EDBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876566327 597243248 /nfs/dbraw/zinc/24/32/48/597243248.db2.gz GLEFNNIHSIYFPW-LBPRGKRZSA-N 1 2 339.396 1.770 20 5 EDBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876566327 597243250 /nfs/dbraw/zinc/24/32/50/597243250.db2.gz GLEFNNIHSIYFPW-LBPRGKRZSA-N 1 2 339.396 1.770 20 5 EDBDLO CN(CCCn1cc[nH+]c1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000130600299 598118039 /nfs/dbraw/zinc/11/80/39/598118039.db2.gz WRMKKXVQLJBJRO-UHFFFAOYSA-N 1 2 343.343 1.367 20 5 EDBDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000919570026 697298873 /nfs/dbraw/zinc/29/88/73/697298873.db2.gz CECVGVNQHRLMIR-PHIMTYICSA-N 1 2 345.396 1.837 20 5 EDBDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000919570026 697298875 /nfs/dbraw/zinc/29/88/75/697298875.db2.gz CECVGVNQHRLMIR-PHIMTYICSA-N 1 2 345.396 1.837 20 5 EDBDLO O=C(C[NH+]1CCC(CO)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000071955899 703063510 /nfs/dbraw/zinc/06/35/10/703063510.db2.gz STNMECAVBXIAEU-UHFFFAOYSA-N 1 2 327.768 1.891 20 5 EDBDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sc1C ZINC001002784238 709390388 /nfs/dbraw/zinc/39/03/88/709390388.db2.gz ZVUNRHYZFHQTOO-CHWSQXEVSA-N 1 2 338.433 1.506 20 5 EDBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051855902 214106400 /nfs/dbraw/zinc/10/64/00/214106400.db2.gz LUNOPDFAQZREKC-GFCCVEGCSA-N 1 2 336.392 1.228 20 5 EDBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051855902 214106404 /nfs/dbraw/zinc/10/64/04/214106404.db2.gz LUNOPDFAQZREKC-GFCCVEGCSA-N 1 2 336.392 1.228 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000560726191 306277990 /nfs/dbraw/zinc/27/79/90/306277990.db2.gz PUURRTXVALHXFW-UHOFOFEASA-N 1 2 333.388 1.535 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000560726191 306277991 /nfs/dbraw/zinc/27/79/91/306277991.db2.gz PUURRTXVALHXFW-UHOFOFEASA-N 1 2 333.388 1.535 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000069156720 215365743 /nfs/dbraw/zinc/36/57/43/215365743.db2.gz LTLBSNIRAFCJFU-UHFFFAOYSA-N 1 2 328.332 1.848 20 5 EDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1cc[nH+]c1 ZINC000045161985 138112182 /nfs/dbraw/zinc/11/21/82/138112182.db2.gz OTAQCBBBHZWNHY-GFCCVEGCSA-N 1 2 345.359 1.116 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186943197 236072726 /nfs/dbraw/zinc/07/27/26/236072726.db2.gz GCWKSIUMLPNPEK-NXEZZACHSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186943197 236072728 /nfs/dbraw/zinc/07/27/28/236072728.db2.gz GCWKSIUMLPNPEK-NXEZZACHSA-N 1 2 327.406 1.492 20 5 EDBDLO O=C(NCCCn1cc[nH+]c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188407784 138840572 /nfs/dbraw/zinc/84/05/72/138840572.db2.gz FFQBUYDHZYGZEA-UHFFFAOYSA-N 1 2 345.359 1.654 20 5 EDBDLO Cc1nc(C)n(C2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000424127664 252134549 /nfs/dbraw/zinc/13/45/49/252134549.db2.gz BHJYTWRGTDVIDG-UHFFFAOYSA-N 1 2 344.375 1.689 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266176666 285156457 /nfs/dbraw/zinc/15/64/57/285156457.db2.gz KLMPHTBQCIBRGH-LLVKDONJSA-N 1 2 341.364 1.369 20 5 EDBDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1[nH]ncc1[N+](=O)[O-] ZINC000270765072 140164647 /nfs/dbraw/zinc/16/46/47/140164647.db2.gz YRAYJVKQGIGWSP-UHFFFAOYSA-N 1 2 330.348 1.633 20 5 EDBDLO CC[C@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000271187856 140253361 /nfs/dbraw/zinc/25/33/61/140253361.db2.gz KXBPXBFXNGKLEA-DOMZBBRYSA-N 1 2 326.349 1.266 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1F ZINC000271457592 140298053 /nfs/dbraw/zinc/29/80/53/140298053.db2.gz QSFLVFABIAHCCC-JTQLQIEISA-N 1 2 342.352 1.606 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000339491472 142059317 /nfs/dbraw/zinc/05/93/17/142059317.db2.gz JQKCKYVKEHQKAP-UHFFFAOYSA-N 1 2 331.369 1.248 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416456238 304321423 /nfs/dbraw/zinc/32/14/23/304321423.db2.gz VZQUSDJDDNVASA-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416456238 304321425 /nfs/dbraw/zinc/32/14/25/304321425.db2.gz VZQUSDJDDNVASA-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(N(C)[C@@H]2COC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343591900 142862271 /nfs/dbraw/zinc/86/22/71/142862271.db2.gz NJQRBFJSSQITPO-KGLIPLIRSA-N 1 2 330.344 1.556 20 5 EDBDLO CN1C[C@H]2[C@@H](CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000345046113 143043150 /nfs/dbraw/zinc/04/31/50/143043150.db2.gz CFDJTDHVDHOZDZ-RISCZKNCSA-N 1 2 329.360 1.524 20 5 EDBDLO CN1C[C@H]2[C@@H](CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000345046113 143043151 /nfs/dbraw/zinc/04/31/51/143043151.db2.gz CFDJTDHVDHOZDZ-RISCZKNCSA-N 1 2 329.360 1.524 20 5 EDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347243931 143299480 /nfs/dbraw/zinc/29/94/80/143299480.db2.gz WOEVZOGXVRIXLM-NSHDSACASA-N 1 2 339.371 1.491 20 5 EDBDLO CC(=O)NC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347352674 143311973 /nfs/dbraw/zinc/31/19/73/143311973.db2.gz GEJTYCLTDGSCSW-OLXGIWCBSA-N 1 2 333.388 1.835 20 5 EDBDLO CC(=O)NC[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000347352674 143311974 /nfs/dbraw/zinc/31/19/74/143311974.db2.gz GEJTYCLTDGSCSW-OLXGIWCBSA-N 1 2 333.388 1.835 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352817035 149178559 /nfs/dbraw/zinc/17/85/59/149178559.db2.gz QGGXCGPFELMCEZ-JIMOISOXSA-N 1 2 334.332 1.397 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352817035 149178560 /nfs/dbraw/zinc/17/85/60/149178560.db2.gz QGGXCGPFELMCEZ-JIMOISOXSA-N 1 2 334.332 1.397 20 5 EDBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000355064635 150099929 /nfs/dbraw/zinc/09/99/29/150099929.db2.gz SQNYPIOKBQNZQP-GFCCVEGCSA-N 1 2 349.322 1.559 20 5 EDBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000355064635 150099932 /nfs/dbraw/zinc/09/99/32/150099932.db2.gz SQNYPIOKBQNZQP-GFCCVEGCSA-N 1 2 349.322 1.559 20 5 EDBDLO CN(C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])nc1 ZINC000357681522 151114114 /nfs/dbraw/zinc/11/41/14/151114114.db2.gz OVWJVGNGRMUIBL-OCCSQVGLSA-N 1 2 348.382 1.772 20 5 EDBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000358191515 151299910 /nfs/dbraw/zinc/29/99/10/151299910.db2.gz FGAJYWDBLSUWEN-UHFFFAOYSA-N 1 2 343.380 1.664 20 5 EDBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000358191515 151299912 /nfs/dbraw/zinc/29/99/12/151299912.db2.gz FGAJYWDBLSUWEN-UHFFFAOYSA-N 1 2 343.380 1.664 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364433273 153236433 /nfs/dbraw/zinc/23/64/33/153236433.db2.gz GRMMPWOWYJRIAP-HZMBPMFUSA-N 1 2 335.360 1.387 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364433273 153236435 /nfs/dbraw/zinc/23/64/35/153236435.db2.gz GRMMPWOWYJRIAP-HZMBPMFUSA-N 1 2 335.360 1.387 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1C ZINC000420437345 292291633 /nfs/dbraw/zinc/29/16/33/292291633.db2.gz JOAMWRYVDDCOFN-CQSZACIVSA-N 1 2 345.396 1.534 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372156666 156246536 /nfs/dbraw/zinc/24/65/36/156246536.db2.gz LDUSJGAWVIPMIO-LLVKDONJSA-N 1 2 333.797 1.372 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372156666 156246539 /nfs/dbraw/zinc/24/65/39/156246539.db2.gz LDUSJGAWVIPMIO-LLVKDONJSA-N 1 2 333.797 1.372 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374332502 157247848 /nfs/dbraw/zinc/24/78/48/157247848.db2.gz SCILBXOGFNOZFD-LLVKDONJSA-N 1 2 348.334 1.862 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000374332776 157248192 /nfs/dbraw/zinc/24/81/92/157248192.db2.gz SMVGKRHLEWITKZ-SECBINFHSA-N 1 2 333.323 1.679 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374372074 157264493 /nfs/dbraw/zinc/26/44/93/157264493.db2.gz BTRUWKDLAKTEPL-CQSZACIVSA-N 1 2 328.328 1.482 20 5 EDBDLO C[N@H+](CCN1CCCC1=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000112703655 287341072 /nfs/dbraw/zinc/34/10/72/287341072.db2.gz QQTXYUINJBRBQC-UHFFFAOYSA-N 1 2 346.387 1.038 20 5 EDBDLO C[N@@H+](CCN1CCCC1=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000112703655 287341074 /nfs/dbraw/zinc/34/10/74/287341074.db2.gz QQTXYUINJBRBQC-UHFFFAOYSA-N 1 2 346.387 1.038 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134608114 287558025 /nfs/dbraw/zinc/55/80/25/287558025.db2.gz LKQBZZJIZGEZFH-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO CCN1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000273369709 268037039 /nfs/dbraw/zinc/03/70/39/268037039.db2.gz DXJOQTGLRPMSBF-UHFFFAOYSA-N 1 2 343.387 1.659 20 5 EDBDLO CCN1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000273369709 268037041 /nfs/dbraw/zinc/03/70/41/268037041.db2.gz DXJOQTGLRPMSBF-UHFFFAOYSA-N 1 2 343.387 1.659 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275366496 268330767 /nfs/dbraw/zinc/33/07/67/268330767.db2.gz MPJVIVZBKVEECG-UHFFFAOYSA-N 1 2 333.392 1.139 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000275623779 268366076 /nfs/dbraw/zinc/36/60/76/268366076.db2.gz KPBPRTAFZOSBHC-UHFFFAOYSA-N 1 2 338.364 1.399 20 5 EDBDLO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)ncc1[N+](=O)[O-] ZINC000275866760 268379742 /nfs/dbraw/zinc/37/97/42/268379742.db2.gz XXRFZSYWQXVHKV-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)ncc1[N+](=O)[O-] ZINC000275866760 268379743 /nfs/dbraw/zinc/37/97/43/268379743.db2.gz XXRFZSYWQXVHKV-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCC[C@@]23CCOC3=O)c([N+](=O)[O-])c1 ZINC000275121555 273101464 /nfs/dbraw/zinc/10/14/64/273101464.db2.gz PHZSQNBNIMEHSW-INIZCTEOSA-N 1 2 336.344 1.764 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCC[C@@]23CCOC3=O)c([N+](=O)[O-])c1 ZINC000275121555 273101465 /nfs/dbraw/zinc/10/14/65/273101465.db2.gz PHZSQNBNIMEHSW-INIZCTEOSA-N 1 2 336.344 1.764 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000276132365 273151037 /nfs/dbraw/zinc/15/10/37/273151037.db2.gz YKHZYOCTFQMPOV-ZDUSSCGKSA-N 1 2 341.371 1.731 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000276132365 273151038 /nfs/dbraw/zinc/15/10/38/273151038.db2.gz YKHZYOCTFQMPOV-ZDUSSCGKSA-N 1 2 341.371 1.731 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000279226586 273286092 /nfs/dbraw/zinc/28/60/92/273286092.db2.gz ISUZBSLXWCTMGI-UHFFFAOYSA-N 1 2 326.349 1.207 20 5 EDBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000284522225 274232696 /nfs/dbraw/zinc/23/26/96/274232696.db2.gz DYAUTJRAUIQPQM-IMJJTQAJSA-N 1 2 336.388 1.965 20 5 EDBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000284522225 274232697 /nfs/dbraw/zinc/23/26/97/274232697.db2.gz DYAUTJRAUIQPQM-IMJJTQAJSA-N 1 2 336.388 1.965 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000284610273 274263294 /nfs/dbraw/zinc/26/32/94/274263294.db2.gz AJMNLJHIUWQRKJ-IMJJTQAJSA-N 1 2 349.387 1.056 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000284610273 274263296 /nfs/dbraw/zinc/26/32/96/274263296.db2.gz AJMNLJHIUWQRKJ-IMJJTQAJSA-N 1 2 349.387 1.056 20 5 EDBDLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285783380 274648099 /nfs/dbraw/zinc/64/80/99/274648099.db2.gz LWUSQEKERFLDMN-GXTWGEPZSA-N 1 2 349.387 1.539 20 5 EDBDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CCN2C1=O ZINC000367293091 276147731 /nfs/dbraw/zinc/14/77/31/276147731.db2.gz YBBYWZZXCKJPFT-CYBMUJFWSA-N 1 2 336.323 1.202 20 5 EDBDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CCN2C1=O ZINC000367293091 276147732 /nfs/dbraw/zinc/14/77/32/276147732.db2.gz YBBYWZZXCKJPFT-CYBMUJFWSA-N 1 2 336.323 1.202 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285863657 287876077 /nfs/dbraw/zinc/87/60/77/287876077.db2.gz PWVHSJJCQHTGFV-HIFRSBDPSA-N 1 2 333.388 1.459 20 5 EDBDLO COC(=O)c1cc(N[C@H](C)C[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000177543334 277152659 /nfs/dbraw/zinc/15/26/59/277152659.db2.gz OAWJOFZVFYGXSD-GFCCVEGCSA-N 1 2 337.376 1.822 20 5 EDBDLO COc1cc(C[NH2+]C2(CO)COC(C)(C)OC2)c([N+](=O)[O-])cc1F ZINC000291095234 289000653 /nfs/dbraw/zinc/00/06/53/289000653.db2.gz IIYAULZDLKDWFJ-UHFFFAOYSA-N 1 2 344.339 1.346 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291787462 289180304 /nfs/dbraw/zinc/18/03/04/289180304.db2.gz CZFSBHOEMGMCHX-CYBMUJFWSA-N 1 2 346.387 1.272 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000184770626 304532532 /nfs/dbraw/zinc/53/25/32/304532532.db2.gz XRTYAYXJQHILLW-AWEZNQCLSA-N 1 2 349.387 1.627 20 5 EDBDLO C[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452706398 300686170 /nfs/dbraw/zinc/68/61/70/300686170.db2.gz CPBOKDXVCUNQCZ-NHYWBVRUSA-N 1 2 330.344 1.766 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000493890120 301193957 /nfs/dbraw/zinc/19/39/57/301193957.db2.gz AZQCUHAIMGAALF-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000493890120 301193960 /nfs/dbraw/zinc/19/39/60/301193960.db2.gz AZQCUHAIMGAALF-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000420605945 304770271 /nfs/dbraw/zinc/77/02/71/304770271.db2.gz WTPUMJISAIWZBQ-RISCZKNCSA-N 1 2 329.360 1.978 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000293832395 303025967 /nfs/dbraw/zinc/02/59/67/303025967.db2.gz PVRNAKXMJOYENS-PHIMTYICSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000293832395 303025969 /nfs/dbraw/zinc/02/59/69/303025969.db2.gz PVRNAKXMJOYENS-PHIMTYICSA-N 1 2 345.396 1.755 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000296075248 303293790 /nfs/dbraw/zinc/29/37/90/303293790.db2.gz RMRQZXQHVANLSR-UHFFFAOYSA-N 1 2 338.371 1.960 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](CO)C1 ZINC000299210005 303593438 /nfs/dbraw/zinc/59/34/38/303593438.db2.gz BNYUXFNRICZRJR-GFCCVEGCSA-N 1 2 330.344 1.625 20 5 EDBDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301760166 303693864 /nfs/dbraw/zinc/69/38/64/303693864.db2.gz FTANYEISURASKY-NSHDSACASA-N 1 2 329.360 1.139 20 5 EDBDLO Cc1cc(N2CC[C@@H](CO)[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302800725 303735489 /nfs/dbraw/zinc/73/54/89/303735489.db2.gz SZPINYSBCCNHKU-DZGCQCFKSA-N 1 2 344.371 1.540 20 5 EDBDLO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000424008068 304924629 /nfs/dbraw/zinc/92/46/29/304924629.db2.gz WAEYFPQSFMRFJG-CJNGLKHVSA-N 1 2 349.387 1.659 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000427460309 304991817 /nfs/dbraw/zinc/99/18/17/304991817.db2.gz RYNDTMRAWXDUHX-UHFFFAOYSA-N 1 2 346.269 1.500 20 5 EDBDLO O=C1C[N@H+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])CCN1 ZINC000432342221 305091865 /nfs/dbraw/zinc/09/18/65/305091865.db2.gz HMMWBBDWPDKXNU-UHFFFAOYSA-N 1 2 329.360 1.377 20 5 EDBDLO O=C1C[N@@H+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])CCN1 ZINC000432342221 305091866 /nfs/dbraw/zinc/09/18/66/305091866.db2.gz HMMWBBDWPDKXNU-UHFFFAOYSA-N 1 2 329.360 1.377 20 5 EDBDLO CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433470578 305110286 /nfs/dbraw/zinc/11/02/86/305110286.db2.gz OEISWGACRHTLLD-OAHLLOKOSA-N 1 2 343.387 1.766 20 5 EDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000445968831 305260473 /nfs/dbraw/zinc/26/04/73/305260473.db2.gz MTBRENQPLRYYEC-UHFFFAOYSA-N 1 2 345.294 1.282 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451423131 305345172 /nfs/dbraw/zinc/34/51/72/305345172.db2.gz DILSCTHGMYQRRZ-BONVTDFDSA-N 1 2 343.330 1.932 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451423131 305345173 /nfs/dbraw/zinc/34/51/73/305345173.db2.gz DILSCTHGMYQRRZ-BONVTDFDSA-N 1 2 343.330 1.932 20 5 EDBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000451967039 305374985 /nfs/dbraw/zinc/37/49/85/305374985.db2.gz GKFIJSPTTKMQEG-SNVBAGLBSA-N 1 2 333.435 1.761 20 5 EDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493735464 305624893 /nfs/dbraw/zinc/62/48/93/305624893.db2.gz BUHBVORAOZLDOZ-YJEWXARHSA-N 1 2 328.332 1.439 20 5 EDBDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045805127 441040155 /nfs/dbraw/zinc/04/01/55/441040155.db2.gz KQAWMWAJSLFDPM-UHFFFAOYSA-N 1 2 342.783 1.774 20 5 EDBDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045805127 441040160 /nfs/dbraw/zinc/04/01/60/441040160.db2.gz KQAWMWAJSLFDPM-UHFFFAOYSA-N 1 2 342.783 1.774 20 5 EDBDLO CC(C)NC(=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045919806 441061127 /nfs/dbraw/zinc/06/11/27/441061127.db2.gz KOIGKZMFUQRSHC-UHFFFAOYSA-N 1 2 345.359 1.425 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000008376122 441091388 /nfs/dbraw/zinc/09/13/88/441091388.db2.gz XBQLQDXPJMGNSW-AWEZNQCLSA-N 1 2 331.376 1.814 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000047151469 441160771 /nfs/dbraw/zinc/16/07/71/441160771.db2.gz NKQPMNVQIRRDCD-ZDUSSCGKSA-N 1 2 336.392 1.234 20 5 EDBDLO Nc1c(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048245874 441277899 /nfs/dbraw/zinc/27/78/99/441277899.db2.gz YRIQTLVJJZIJQU-UHFFFAOYSA-N 1 2 348.334 1.867 20 5 EDBDLO O=C(NCC[NH+]1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000026536781 441379849 /nfs/dbraw/zinc/37/98/49/441379849.db2.gz WFBNECRSJYNOFD-UHFFFAOYSA-N 1 2 334.376 1.231 20 5 EDBDLO CN(C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000083425087 441361819 /nfs/dbraw/zinc/36/18/19/441361819.db2.gz TYLFVCAIVRCKTC-UHFFFAOYSA-N 1 2 344.375 1.555 20 5 EDBDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000027564818 441406971 /nfs/dbraw/zinc/40/69/71/441406971.db2.gz JOYGOMKZGYRKCD-GFCCVEGCSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000027564818 441406972 /nfs/dbraw/zinc/40/69/72/441406972.db2.gz JOYGOMKZGYRKCD-GFCCVEGCSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000027911327 441418155 /nfs/dbraw/zinc/41/81/55/441418155.db2.gz SRXAHXWNCLUZBR-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000027911327 441418159 /nfs/dbraw/zinc/41/81/59/441418159.db2.gz SRXAHXWNCLUZBR-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO CNC(=O)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000029162058 441448922 /nfs/dbraw/zinc/44/89/22/441448922.db2.gz TWGMAMGLWDHGIF-UHFFFAOYSA-N 1 2 334.376 1.300 20 5 EDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000113002136 441577451 /nfs/dbraw/zinc/57/74/51/441577451.db2.gz ODTQXJQWIISUBZ-GFCCVEGCSA-N 1 2 330.406 1.729 20 5 EDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000113002136 441577454 /nfs/dbraw/zinc/57/74/54/441577454.db2.gz ODTQXJQWIISUBZ-GFCCVEGCSA-N 1 2 330.406 1.729 20 5 EDBDLO CS(=O)(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330218 441602181 /nfs/dbraw/zinc/60/21/81/441602181.db2.gz QSDRTSNLXKTAIU-UHFFFAOYSA-N 1 2 341.414 1.853 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000067417632 441638903 /nfs/dbraw/zinc/63/89/03/441638903.db2.gz DFYSKBOTDWBTCA-AWEZNQCLSA-N 1 2 348.403 1.690 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000067417632 441638905 /nfs/dbraw/zinc/63/89/05/441638905.db2.gz DFYSKBOTDWBTCA-AWEZNQCLSA-N 1 2 348.403 1.690 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000114709581 441676914 /nfs/dbraw/zinc/67/69/14/441676914.db2.gz OULVXQXJTVTONR-UHFFFAOYSA-N 1 2 347.423 1.309 20 5 EDBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000158321965 441723924 /nfs/dbraw/zinc/72/39/24/441723924.db2.gz GJGGDMNANLTSSJ-SNVBAGLBSA-N 1 2 335.389 1.898 20 5 EDBDLO COC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000092605752 441811662 /nfs/dbraw/zinc/81/16/62/441811662.db2.gz LMMZLYLTLVFVJS-UHFFFAOYSA-N 1 2 344.371 1.828 20 5 EDBDLO COC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000092605752 441811670 /nfs/dbraw/zinc/81/16/70/441811670.db2.gz LMMZLYLTLVFVJS-UHFFFAOYSA-N 1 2 344.371 1.828 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000140167038 441834068 /nfs/dbraw/zinc/83/40/68/441834068.db2.gz CMVNCMLEVLUYAV-UHFFFAOYSA-N 1 2 325.365 1.152 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160425726 441880802 /nfs/dbraw/zinc/88/08/02/441880802.db2.gz RCMZQOHWFCAYFO-UHFFFAOYSA-N 1 2 328.332 1.416 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000126322201 442099056 /nfs/dbraw/zinc/09/90/56/442099056.db2.gz SBKDOVJJGYRZFU-WYVULQQZSA-N 1 2 343.405 1.241 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000126322201 442099060 /nfs/dbraw/zinc/09/90/60/442099060.db2.gz SBKDOVJJGYRZFU-WYVULQQZSA-N 1 2 343.405 1.241 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000170628859 442238998 /nfs/dbraw/zinc/23/89/98/442238998.db2.gz SVEMSWGDQYEUGL-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000170628859 442239001 /nfs/dbraw/zinc/23/90/01/442239001.db2.gz SVEMSWGDQYEUGL-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C)(O)CC1 ZINC000177300885 442325821 /nfs/dbraw/zinc/32/58/21/442325821.db2.gz MLHLLLPSHUJOCI-NSHDSACASA-N 1 2 337.376 1.777 20 5 EDBDLO CC1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000177743212 442378170 /nfs/dbraw/zinc/37/81/70/442378170.db2.gz UQACACGWUBRBPE-UHFFFAOYSA-N 1 2 330.344 1.768 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191851800 442523660 /nfs/dbraw/zinc/52/36/60/442523660.db2.gz ILTHXVAZSINLDJ-UHFFFAOYSA-N 1 2 327.406 1.538 20 5 EDBDLO CCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239349 442571238 /nfs/dbraw/zinc/57/12/38/442571238.db2.gz WYWCZKAUCVFCES-UHFFFAOYSA-N 1 2 334.376 1.795 20 5 EDBDLO CCCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239349 442571242 /nfs/dbraw/zinc/57/12/42/442571242.db2.gz WYWCZKAUCVFCES-UHFFFAOYSA-N 1 2 334.376 1.795 20 5 EDBDLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000193657953 442764792 /nfs/dbraw/zinc/76/47/92/442764792.db2.gz KZQAQDIIABNUBD-TVQRCGJNSA-N 1 2 331.332 1.259 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268317717 442945604 /nfs/dbraw/zinc/94/56/04/442945604.db2.gz DSOKQBBXBFIMTI-GXTWGEPZSA-N 1 2 340.376 1.606 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268317717 442945608 /nfs/dbraw/zinc/94/56/08/442945608.db2.gz DSOKQBBXBFIMTI-GXTWGEPZSA-N 1 2 340.376 1.606 20 5 EDBDLO Cc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000198154005 443036548 /nfs/dbraw/zinc/03/65/48/443036548.db2.gz QJVPTNXGPFLCRU-CQSZACIVSA-N 1 2 333.388 1.840 20 5 EDBDLO COC(=O)Cc1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000296697844 318718792 /nfs/dbraw/zinc/71/87/92/318718792.db2.gz DUFCQIOXFUGOMM-UHFFFAOYSA-N 1 2 349.387 1.587 20 5 EDBDLO O=C(NC[C@@H]1CCC[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000266242525 443071834 /nfs/dbraw/zinc/07/18/34/443071834.db2.gz MQDRHBOZILJPRA-SWLSCSKDSA-N 1 2 330.344 1.671 20 5 EDBDLO CCN1CC[NH+]([C@H]2CCN(c3cccc(OC)c3[N+](=O)[O-])C2)CC1 ZINC000185384373 443192421 /nfs/dbraw/zinc/19/24/21/443192421.db2.gz QUPDOKSXOKEAPX-AWEZNQCLSA-N 1 2 334.420 1.820 20 5 EDBDLO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000266538266 443161303 /nfs/dbraw/zinc/16/13/03/443161303.db2.gz RDBQPUOMFLGNJV-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272504788 443343260 /nfs/dbraw/zinc/34/32/60/443343260.db2.gz HUCWOYRUFJVGEK-CZUORRHYSA-N 1 2 343.387 1.628 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000191474010 443299795 /nfs/dbraw/zinc/29/97/95/443299795.db2.gz JZUCOYRMMQWYEE-AWEZNQCLSA-N 1 2 343.387 1.940 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000191474010 443299798 /nfs/dbraw/zinc/29/97/98/443299798.db2.gz JZUCOYRMMQWYEE-AWEZNQCLSA-N 1 2 343.387 1.940 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272524437 443350467 /nfs/dbraw/zinc/35/04/67/443350467.db2.gz LUIPIKYBFBJQPN-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272549884 443359957 /nfs/dbraw/zinc/35/99/57/443359957.db2.gz KNQHHLLWFQUQNQ-ZJUUUORDSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272549884 443359962 /nfs/dbraw/zinc/35/99/62/443359962.db2.gz KNQHHLLWFQUQNQ-ZJUUUORDSA-N 1 2 327.768 1.889 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267655831 443529521 /nfs/dbraw/zinc/52/95/21/443529521.db2.gz CMPXCTRRDINONZ-HIFRSBDPSA-N 1 2 349.435 1.509 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000267655831 443529525 /nfs/dbraw/zinc/52/95/25/443529525.db2.gz CMPXCTRRDINONZ-HIFRSBDPSA-N 1 2 349.435 1.509 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000279396612 443576181 /nfs/dbraw/zinc/57/61/81/443576181.db2.gz VRQKUMIRSHGBGM-JTQLQIEISA-N 1 2 343.330 1.666 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000440640940 320075995 /nfs/dbraw/zinc/07/59/95/320075995.db2.gz VBCKASBULKKRES-OAHLLOKOSA-N 1 2 339.396 1.228 20 5 EDBDLO Cn1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000447804462 320145049 /nfs/dbraw/zinc/14/50/49/320145049.db2.gz YSJCYUCXJXVJML-UHFFFAOYSA-N 1 2 331.376 1.773 20 5 EDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000291086377 443748722 /nfs/dbraw/zinc/74/87/22/443748722.db2.gz ITMHHKYJMVBXHF-ZYHUDNBSSA-N 1 2 326.784 1.943 20 5 EDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000292781246 443841837 /nfs/dbraw/zinc/84/18/37/443841837.db2.gz SVQZMBDYCFDCDY-DGCLKSJQSA-N 1 2 334.376 1.112 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000285380239 443962697 /nfs/dbraw/zinc/96/26/97/443962697.db2.gz LCPSXBWOROITAQ-JKSUJKDBSA-N 1 2 348.403 1.252 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000285380239 443962701 /nfs/dbraw/zinc/96/27/01/443962701.db2.gz LCPSXBWOROITAQ-JKSUJKDBSA-N 1 2 348.403 1.252 20 5 EDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277412420 443984841 /nfs/dbraw/zinc/98/48/41/443984841.db2.gz JRJLRYFYWNZQPU-WOZUBWMWSA-N 1 2 342.417 1.035 20 5 EDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277412420 443984844 /nfs/dbraw/zinc/98/48/44/443984844.db2.gz JRJLRYFYWNZQPU-WOZUBWMWSA-N 1 2 342.417 1.035 20 5 EDBDLO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299216417 443986185 /nfs/dbraw/zinc/98/61/85/443986185.db2.gz HPYVFNKGMNEQBW-VIFPVBQESA-N 1 2 333.797 1.621 20 5 EDBDLO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299216417 443986188 /nfs/dbraw/zinc/98/61/88/443986188.db2.gz HPYVFNKGMNEQBW-VIFPVBQESA-N 1 2 333.797 1.621 20 5 EDBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000277486660 443993556 /nfs/dbraw/zinc/99/35/56/443993556.db2.gz IGSVESWDLCGQNI-UHFFFAOYSA-N 1 2 334.380 1.640 20 5 EDBDLO CSC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293242180 443960009 /nfs/dbraw/zinc/96/00/09/443960009.db2.gz STKPSQKULUETBP-LBPRGKRZSA-N 1 2 339.417 1.077 20 5 EDBDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285804621 444112566 /nfs/dbraw/zinc/11/25/66/444112566.db2.gz VLVFRJOAUUWXGP-UKRRQHHQSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000285804621 444112567 /nfs/dbraw/zinc/11/25/67/444112567.db2.gz VLVFRJOAUUWXGP-UKRRQHHQSA-N 1 2 348.359 1.863 20 5 EDBDLO C[C@@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301535515 444178433 /nfs/dbraw/zinc/17/84/33/444178433.db2.gz MJYRDWDHLAIYPO-VIFPVBQESA-N 1 2 345.197 1.255 20 5 EDBDLO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000301871146 444194942 /nfs/dbraw/zinc/19/49/42/444194942.db2.gz HHLSGAUEJZDPOO-NSHDSACASA-N 1 2 338.389 1.943 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000342228819 444576379 /nfs/dbraw/zinc/57/63/79/444576379.db2.gz LOBDIMGTVGPVAZ-NSHDSACASA-N 1 2 336.348 1.052 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000342228819 444576383 /nfs/dbraw/zinc/57/63/83/444576383.db2.gz LOBDIMGTVGPVAZ-NSHDSACASA-N 1 2 336.348 1.052 20 5 EDBDLO NC(=O)c1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000342681812 444810941 /nfs/dbraw/zinc/81/09/41/444810941.db2.gz RNAZZEQHVZBHFM-LBPRGKRZSA-N 1 2 328.328 1.746 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339074187 445020625 /nfs/dbraw/zinc/02/06/25/445020625.db2.gz PTIROWFVKGINLR-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339065425 445016267 /nfs/dbraw/zinc/01/62/67/445016267.db2.gz DYYQCRRGLPEVPV-VXGBXAGGSA-N 1 2 341.433 1.870 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339067350 445017643 /nfs/dbraw/zinc/01/76/43/445017643.db2.gz LSUWQAXEKYWJLT-QWRGUYRKSA-N 1 2 343.405 1.317 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330629795 445069945 /nfs/dbraw/zinc/06/99/45/445069945.db2.gz BNYIALDYMDGNLM-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330629795 445069949 /nfs/dbraw/zinc/06/99/49/445069949.db2.gz BNYIALDYMDGNLM-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330799044 445146486 /nfs/dbraw/zinc/14/64/86/445146486.db2.gz HPSSVKKWUGPLMT-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330799044 445146488 /nfs/dbraw/zinc/14/64/88/445146488.db2.gz HPSSVKKWUGPLMT-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CCc1ccc([C@@H]2CN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000337576699 445146930 /nfs/dbraw/zinc/14/69/30/445146930.db2.gz GMWYQQYMGBCUSR-AWEZNQCLSA-N 1 2 343.387 1.975 20 5 EDBDLO CCc1ccc([C@@H]2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000337576699 445146933 /nfs/dbraw/zinc/14/69/33/445146933.db2.gz GMWYQQYMGBCUSR-AWEZNQCLSA-N 1 2 343.387 1.975 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000357034102 445385231 /nfs/dbraw/zinc/38/52/31/445385231.db2.gz HFCNJARDHSJPSN-CHWSQXEVSA-N 1 2 348.403 1.917 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCN1C ZINC000357034102 445385234 /nfs/dbraw/zinc/38/52/34/445385234.db2.gz HFCNJARDHSJPSN-CHWSQXEVSA-N 1 2 348.403 1.917 20 5 EDBDLO COc1c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000357161292 445461181 /nfs/dbraw/zinc/46/11/81/445461181.db2.gz RXVDWLYRHHNMCR-GFCCVEGCSA-N 1 2 337.376 1.396 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356088269 445612928 /nfs/dbraw/zinc/61/29/28/445612928.db2.gz VUNHTVWMSHLCEZ-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356088269 445612932 /nfs/dbraw/zinc/61/29/32/445612932.db2.gz VUNHTVWMSHLCEZ-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO Cn1cnc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000353614231 445677438 /nfs/dbraw/zinc/67/74/38/445677438.db2.gz RKKBVCSTJHDXTQ-OAHLLOKOSA-N 1 2 341.375 1.379 20 5 EDBDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000356451762 445797030 /nfs/dbraw/zinc/79/70/30/445797030.db2.gz HDVVZOHKZJIIPM-UHFFFAOYSA-N 1 2 336.392 1.819 20 5 EDBDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000356451762 445797033 /nfs/dbraw/zinc/79/70/33/445797033.db2.gz HDVVZOHKZJIIPM-UHFFFAOYSA-N 1 2 336.392 1.819 20 5 EDBDLO C[N@@H+]1CCc2ncnc(NCCNc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000356680219 445933503 /nfs/dbraw/zinc/93/35/03/445933503.db2.gz VXLDTHZMEGKWLS-UHFFFAOYSA-N 1 2 328.376 1.897 20 5 EDBDLO C[N@H+]1CCc2ncnc(NCCNc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000356680219 445933509 /nfs/dbraw/zinc/93/35/09/445933509.db2.gz VXLDTHZMEGKWLS-UHFFFAOYSA-N 1 2 328.376 1.897 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000369312106 446066063 /nfs/dbraw/zinc/06/60/63/446066063.db2.gz KWBNXHLPHDZYDL-LLVKDONJSA-N 1 2 330.344 1.935 20 5 EDBDLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000366416883 446201979 /nfs/dbraw/zinc/20/19/79/446201979.db2.gz UVVDMKUZJFNBFF-GFCCVEGCSA-N 1 2 348.403 1.199 20 5 EDBDLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000366416883 446201982 /nfs/dbraw/zinc/20/19/82/446201982.db2.gz UVVDMKUZJFNBFF-GFCCVEGCSA-N 1 2 348.403 1.199 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000365605384 446271119 /nfs/dbraw/zinc/27/11/19/446271119.db2.gz XLJNMLXSYWKNGZ-NSHDSACASA-N 1 2 329.360 1.930 20 5 EDBDLO NC(=O)c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000359545460 446283586 /nfs/dbraw/zinc/28/35/86/446283586.db2.gz YEYWYKQXGFAXBS-CQSZACIVSA-N 1 2 333.319 1.656 20 5 EDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000370555915 446331385 /nfs/dbraw/zinc/33/13/85/446331385.db2.gz IYQRAXVGQHVYMN-QGZVFWFLSA-N 1 2 349.387 1.206 20 5 EDBDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000359637968 446331457 /nfs/dbraw/zinc/33/14/57/446331457.db2.gz KZXGSFDNQSIFDM-WDEREUQCSA-N 1 2 337.359 1.086 20 5 EDBDLO COC(=O)[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[NH2+]1 ZINC000365769725 446335797 /nfs/dbraw/zinc/33/57/97/446335797.db2.gz WEQUKKZRULTRKL-GXSJLCMTSA-N 1 2 349.368 1.443 20 5 EDBDLO Cc1cc(NC[C@]2([NH+]3CCOCC3)CCCOC2)ncc1[N+](=O)[O-] ZINC000370573256 446336871 /nfs/dbraw/zinc/33/68/71/446336871.db2.gz BFBSLPBZLQSLMC-MRXNPFEDSA-N 1 2 336.392 1.592 20 5 EDBDLO Cc1sc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000370479947 446297950 /nfs/dbraw/zinc/29/79/50/446297950.db2.gz HUEPKYPGZCZLTA-NSHDSACASA-N 1 2 325.390 1.511 20 5 EDBDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376479526 446522701 /nfs/dbraw/zinc/52/27/01/446522701.db2.gz SZJVTODIQQJSAV-UHFFFAOYSA-N 1 2 349.313 1.449 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000420472268 446648349 /nfs/dbraw/zinc/64/83/49/446648349.db2.gz SENONCDHVBNVLX-SECBINFHSA-N 1 2 335.332 1.118 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000411753883 446668741 /nfs/dbraw/zinc/66/87/41/446668741.db2.gz GGWYVSGHZXIRLJ-ZDUSSCGKSA-N 1 2 337.376 1.442 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000411753883 446668745 /nfs/dbraw/zinc/66/87/45/446668745.db2.gz GGWYVSGHZXIRLJ-ZDUSSCGKSA-N 1 2 337.376 1.442 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000420452529 446628894 /nfs/dbraw/zinc/62/88/94/446628894.db2.gz WJOAOBYYETUCQR-SNVBAGLBSA-N 1 2 349.359 1.426 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000376803602 446729913 /nfs/dbraw/zinc/72/99/13/446729913.db2.gz WRFALYYESABFSC-JTQLQIEISA-N 1 2 335.332 1.131 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368521271 446918111 /nfs/dbraw/zinc/91/81/11/446918111.db2.gz DFQZZIPSIBDRRE-SMDDNHRTSA-N 1 2 335.360 1.653 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368521271 446918120 /nfs/dbraw/zinc/91/81/20/446918120.db2.gz DFQZZIPSIBDRRE-SMDDNHRTSA-N 1 2 335.360 1.653 20 5 EDBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377493661 447162556 /nfs/dbraw/zinc/16/25/56/447162556.db2.gz KAOWULISXATWDJ-WHOFXGATSA-N 1 2 346.387 1.652 20 5 EDBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377493661 447162560 /nfs/dbraw/zinc/16/25/60/447162560.db2.gz KAOWULISXATWDJ-WHOFXGATSA-N 1 2 346.387 1.652 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375949198 447168426 /nfs/dbraw/zinc/16/84/26/447168426.db2.gz WSEMCHHWZRPFKE-UHFFFAOYSA-N 1 2 346.391 1.681 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000421777415 447247859 /nfs/dbraw/zinc/24/78/59/447247859.db2.gz ZGYDEPCOTOSCFK-AWEZNQCLSA-N 1 2 333.388 1.758 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257055 447714763 /nfs/dbraw/zinc/71/47/63/447714763.db2.gz FXCWCPKZUPCGNV-XJKSGUPXSA-N 1 2 334.351 1.628 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257055 447714770 /nfs/dbraw/zinc/71/47/70/447714770.db2.gz FXCWCPKZUPCGNV-XJKSGUPXSA-N 1 2 334.351 1.628 20 5 EDBDLO COc1ccc(OCC[N@H+](C)Cc2nnc3n2CCC3)c([N+](=O)[O-])c1 ZINC000531255920 448047501 /nfs/dbraw/zinc/04/75/01/448047501.db2.gz WMASESFMKKCFOH-UHFFFAOYSA-N 1 2 347.375 1.652 20 5 EDBDLO COc1ccc(OCC[N@@H+](C)Cc2nnc3n2CCC3)c([N+](=O)[O-])c1 ZINC000531255920 448047508 /nfs/dbraw/zinc/04/75/08/448047508.db2.gz WMASESFMKKCFOH-UHFFFAOYSA-N 1 2 347.375 1.652 20 5 EDBDLO C[C@H]1C[NH+](CCn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@H](C)O1 ZINC000571702696 448193579 /nfs/dbraw/zinc/19/35/79/448193579.db2.gz QSIDTNPHBLEFHL-RYUDHWBXSA-N 1 2 348.359 1.521 20 5 EDBDLO Cc1cc(N[C@@H]2CCNC(=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591196044 448285304 /nfs/dbraw/zinc/28/53/04/448285304.db2.gz XFLZBVNBVLLMNM-ZDUSSCGKSA-N 1 2 341.371 1.863 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000492767518 448286064 /nfs/dbraw/zinc/28/60/64/448286064.db2.gz CQRIDLAPOROIKW-ZQUHVBMZSA-N 1 2 349.362 1.679 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000492767518 448286067 /nfs/dbraw/zinc/28/60/67/448286067.db2.gz CQRIDLAPOROIKW-ZQUHVBMZSA-N 1 2 349.362 1.679 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000572716113 448446054 /nfs/dbraw/zinc/44/60/54/448446054.db2.gz XSODXXMDWBPDLL-GXFFZTMASA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000572716113 448446058 /nfs/dbraw/zinc/44/60/58/448446058.db2.gz XSODXXMDWBPDLL-GXFFZTMASA-N 1 2 345.193 1.532 20 5 EDBDLO CC(C)Oc1nc(NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000584729853 448613664 /nfs/dbraw/zinc/61/36/64/448613664.db2.gz GPIIFWGDKDYDAB-CYBMUJFWSA-N 1 2 337.424 1.825 20 5 EDBDLO Nc1nccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000573337795 448603311 /nfs/dbraw/zinc/60/33/11/448603311.db2.gz ZOBBOCWPIQYIAI-UHFFFAOYSA-N 1 2 343.334 1.279 20 5 EDBDLO CNc1nccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000573860883 448731509 /nfs/dbraw/zinc/73/15/09/448731509.db2.gz PLQVCGHSAKRHPF-AAEUAGOBSA-N 1 2 344.375 1.951 20 5 EDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000587062413 448834886 /nfs/dbraw/zinc/83/48/86/448834886.db2.gz VBFUIVVTDAXNJM-VIFPVBQESA-N 1 2 326.316 1.412 20 5 EDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000574339946 448850271 /nfs/dbraw/zinc/85/02/71/448850271.db2.gz YUJFPPBNTYHFOR-LBPRGKRZSA-N 1 2 344.375 1.240 20 5 EDBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000574339946 448850277 /nfs/dbraw/zinc/85/02/77/448850277.db2.gz YUJFPPBNTYHFOR-LBPRGKRZSA-N 1 2 344.375 1.240 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000548161624 448995176 /nfs/dbraw/zinc/99/51/76/448995176.db2.gz LLQNWTFWLBNNJG-AWEZNQCLSA-N 1 2 340.343 1.581 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611083583 449162336 /nfs/dbraw/zinc/16/23/36/449162336.db2.gz KNNZYPVMEVXOIY-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611083583 449162338 /nfs/dbraw/zinc/16/23/38/449162338.db2.gz KNNZYPVMEVXOIY-NSHDSACASA-N 1 2 343.405 1.318 20 5 EDBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1COCCO1 ZINC000595743177 449142905 /nfs/dbraw/zinc/14/29/05/449142905.db2.gz QUAGPMZOGFEITG-CYBMUJFWSA-N 1 2 334.332 1.492 20 5 EDBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1COCCO1 ZINC000595743177 449142908 /nfs/dbraw/zinc/14/29/08/449142908.db2.gz QUAGPMZOGFEITG-CYBMUJFWSA-N 1 2 334.332 1.492 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000595759078 449151927 /nfs/dbraw/zinc/15/19/27/449151927.db2.gz NKZFDNBOHJNTIR-UHFFFAOYSA-N 1 2 332.364 1.492 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000595759078 449151930 /nfs/dbraw/zinc/15/19/30/449151930.db2.gz NKZFDNBOHJNTIR-UHFFFAOYSA-N 1 2 332.364 1.492 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454244 449292284 /nfs/dbraw/zinc/29/22/84/449292284.db2.gz GBBXLUVANWIHOF-UHFFFAOYSA-N 1 2 329.360 1.011 20 5 EDBDLO Cc1cc(CN2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)no1 ZINC000611581675 449345481 /nfs/dbraw/zinc/34/54/81/449345481.db2.gz VCQWPGLCLLYRET-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO O=c1[nH]ccc(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000596108124 449365373 /nfs/dbraw/zinc/36/53/73/449365373.db2.gz LJIRVAWCZJNZMY-UHFFFAOYSA-N 1 2 335.389 1.864 20 5 EDBDLO O=c1[nH]ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000596108124 449365376 /nfs/dbraw/zinc/36/53/76/449365376.db2.gz LJIRVAWCZJNZMY-UHFFFAOYSA-N 1 2 335.389 1.864 20 5 EDBDLO CCCNC(=O)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560239 449336632 /nfs/dbraw/zinc/33/66/32/449336632.db2.gz DDWZJSJKDVFGFQ-OAHLLOKOSA-N 1 2 331.376 1.534 20 5 EDBDLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000611802217 449426044 /nfs/dbraw/zinc/42/60/44/449426044.db2.gz SBEIRYPOTZRAHH-UHFFFAOYSA-N 1 2 329.360 1.862 20 5 EDBDLO COC(=O)c1ccnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000598622028 449499684 /nfs/dbraw/zinc/49/96/84/449499684.db2.gz KIOYZSSTXJQXAB-GFCCVEGCSA-N 1 2 344.327 1.829 20 5 EDBDLO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000596634893 449579878 /nfs/dbraw/zinc/57/98/78/449579878.db2.gz FWTORVBIDRKNOG-ZDUSSCGKSA-N 1 2 334.376 1.842 20 5 EDBDLO CO[C@](C)(CO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594511448 449559371 /nfs/dbraw/zinc/55/93/71/449559371.db2.gz NIIJSTZVYXAYLU-HOCLYGCPSA-N 1 2 334.376 1.405 20 5 EDBDLO CCOC(=O)c1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])c1 ZINC000598944210 449663024 /nfs/dbraw/zinc/66/30/24/449663024.db2.gz ZPLZSEOJGDQXBF-LBPRGKRZSA-N 1 2 344.327 1.323 20 5 EDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598948931 449665719 /nfs/dbraw/zinc/66/57/19/449665719.db2.gz WMDMOEPJAUUYJA-GFCCVEGCSA-N 1 2 328.328 1.495 20 5 EDBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598978543 449678066 /nfs/dbraw/zinc/67/80/66/449678066.db2.gz GQODZIZFYYJILQ-ZDUSSCGKSA-N 1 2 343.387 1.890 20 5 EDBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594765739 449679665 /nfs/dbraw/zinc/67/96/65/449679665.db2.gz ONFIGUFJYUKTKY-ZDUSSCGKSA-N 1 2 348.384 1.455 20 5 EDBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594765739 449679670 /nfs/dbraw/zinc/67/96/70/449679670.db2.gz ONFIGUFJYUKTKY-ZDUSSCGKSA-N 1 2 348.384 1.455 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599017374 449700067 /nfs/dbraw/zinc/70/00/67/449700067.db2.gz YHEMSIXFYRTULE-UHFFFAOYSA-N 1 2 329.360 1.011 20 5 EDBDLO C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000601258790 449781913 /nfs/dbraw/zinc/78/19/13/449781913.db2.gz NONYDAGUUCUXER-FZMZJTMJSA-N 1 2 337.351 1.527 20 5 EDBDLO Cc1nn(C)c(NCCNc2cc(C)[nH+]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000599147438 449762958 /nfs/dbraw/zinc/76/29/58/449762958.db2.gz KGQOCPVRTPEVJZ-UHFFFAOYSA-N 1 2 333.396 2.383 20 5 EDBDLO CCCn1nccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000597149807 449838059 /nfs/dbraw/zinc/83/80/59/449838059.db2.gz QRBXGJPVJIIICF-UHFFFAOYSA-N 1 2 330.392 1.919 20 5 EDBDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595339985 450052840 /nfs/dbraw/zinc/05/28/40/450052840.db2.gz BNXDCSIBRXPBIH-UHFFFAOYSA-N 1 2 326.324 1.624 20 5 EDBDLO CCOC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618700 450107826 /nfs/dbraw/zinc/10/78/26/450107826.db2.gz LWXDOWSIFPTEHJ-GOEBONIOSA-N 1 2 340.376 1.072 20 5 EDBDLO CCOC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618700 450107833 /nfs/dbraw/zinc/10/78/33/450107833.db2.gz LWXDOWSIFPTEHJ-GOEBONIOSA-N 1 2 340.376 1.072 20 5 EDBDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595490128 450180405 /nfs/dbraw/zinc/18/04/05/450180405.db2.gz DJZNMTKHNKPVED-UHFFFAOYSA-N 1 2 345.396 1.495 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603252618 450180592 /nfs/dbraw/zinc/18/05/92/450180592.db2.gz WJVIIYBHQBCQPE-CQSZACIVSA-N 1 2 345.403 1.979 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000610429192 450215189 /nfs/dbraw/zinc/21/51/89/450215189.db2.gz NKJUEFRVBRCIJX-UHFFFAOYSA-N 1 2 339.355 2.323 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000603375257 450269601 /nfs/dbraw/zinc/26/96/01/450269601.db2.gz OWUCUVBJJBLOPI-UHFFFAOYSA-N 1 2 327.406 1.451 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000603375257 450269603 /nfs/dbraw/zinc/26/96/03/450269603.db2.gz OWUCUVBJJBLOPI-UHFFFAOYSA-N 1 2 327.406 1.451 20 5 EDBDLO NC(=O)[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615990683 450291826 /nfs/dbraw/zinc/29/18/26/450291826.db2.gz PBZMESGGCPTEJF-AWEZNQCLSA-N 1 2 348.403 1.129 20 5 EDBDLO COc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000202889282 485533056 /nfs/dbraw/zinc/53/30/56/485533056.db2.gz DAKBEORPSFARMX-UHFFFAOYSA-N 1 2 336.392 1.250 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000263744179 536444778 /nfs/dbraw/zinc/44/47/78/536444778.db2.gz AXCWGCGLVWZSQR-OAHLLOKOSA-N 1 2 336.392 1.234 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000263744179 536444779 /nfs/dbraw/zinc/44/47/79/536444779.db2.gz AXCWGCGLVWZSQR-OAHLLOKOSA-N 1 2 336.392 1.234 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339841065 535022128 /nfs/dbraw/zinc/02/21/28/535022128.db2.gz ATPVJPACZSTZTK-ZDUSSCGKSA-N 1 2 343.405 1.245 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339841065 535022134 /nfs/dbraw/zinc/02/21/34/535022134.db2.gz ATPVJPACZSTZTK-ZDUSSCGKSA-N 1 2 343.405 1.245 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000271394436 535496642 /nfs/dbraw/zinc/49/66/42/535496642.db2.gz VTTKNOMZFJSNQO-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000271394436 535496649 /nfs/dbraw/zinc/49/66/49/535496649.db2.gz VTTKNOMZFJSNQO-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332520613 535702293 /nfs/dbraw/zinc/70/22/93/535702293.db2.gz PKMSPVHFXIIGPD-GOEBONIOSA-N 1 2 349.387 1.539 20 5 EDBDLO CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332520613 535702300 /nfs/dbraw/zinc/70/23/00/535702300.db2.gz PKMSPVHFXIIGPD-GOEBONIOSA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1cccn2cc(COC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[nH+]c12 ZINC000728340777 578546506 /nfs/dbraw/zinc/54/65/06/578546506.db2.gz QVYJFMQGHLKMOV-UHFFFAOYSA-N 1 2 342.311 1.456 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754496268 579904434 /nfs/dbraw/zinc/90/44/34/579904434.db2.gz YBMPSFQMKTWWTA-UHFFFAOYSA-N 1 2 327.300 1.720 20 5 EDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000768560639 580216202 /nfs/dbraw/zinc/21/62/02/580216202.db2.gz CXHQEPRANRDEOJ-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000768560639 580216203 /nfs/dbraw/zinc/21/62/03/580216203.db2.gz CXHQEPRANRDEOJ-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768562415 580216224 /nfs/dbraw/zinc/21/62/24/580216224.db2.gz NNLMAYYHAYDHMV-VHSXEESVSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768562415 580216225 /nfs/dbraw/zinc/21/62/25/580216225.db2.gz NNLMAYYHAYDHMV-VHSXEESVSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000768707981 580218745 /nfs/dbraw/zinc/21/87/45/580218745.db2.gz XCMVVYKSWVSRCO-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000768707981 580218746 /nfs/dbraw/zinc/21/87/46/580218746.db2.gz XCMVVYKSWVSRCO-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000768880930 580223314 /nfs/dbraw/zinc/22/33/14/580223314.db2.gz GRHVMONZIWOYGY-NXEZZACHSA-N 1 2 333.435 1.760 20 5 EDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000768880930 580223315 /nfs/dbraw/zinc/22/33/15/580223315.db2.gz GRHVMONZIWOYGY-NXEZZACHSA-N 1 2 333.435 1.760 20 5 EDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776584692 580422323 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COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000348105473 445269775 /nfs/dbraw/zinc/26/97/75/445269775.db2.gz DHQXAUCVHYDWEX-DTWKUNHWSA-N 1 2 349.347 1.973 20 5 EDBDLO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000351752324 445308559 /nfs/dbraw/zinc/30/85/59/445308559.db2.gz PVODPLRBUYZJFC-HNNXBMFYSA-N 1 2 325.315 1.975 20 5 EDBDLO O=C1C[C@]2(CN1)CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000351752324 445308563 /nfs/dbraw/zinc/30/85/63/445308563.db2.gz PVODPLRBUYZJFC-HNNXBMFYSA-N 1 2 325.315 1.975 20 5 EDBDLO Cc1c(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cccc1[N+](=O)[O-] ZINC000348581277 445332512 /nfs/dbraw/zinc/33/25/12/445332512.db2.gz CLQUHOVYCSPZSK-LBPRGKRZSA-N 1 2 329.316 1.289 20 5 EDBDLO Cc1c(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cccc1[N+](=O)[O-] ZINC000348581277 445332514 /nfs/dbraw/zinc/33/25/14/445332514.db2.gz CLQUHOVYCSPZSK-LBPRGKRZSA-N 1 2 329.316 1.289 20 5 EDBDLO COc1cc(Cn2c3ccccc3[nH+]c2NCCO)ccc1[N+](=O)[O-] ZINC000351919671 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CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000158403095 533441363 /nfs/dbraw/zinc/44/13/63/533441363.db2.gz BBLSQRFKALUZEG-FVQBIDKESA-N 1 2 349.387 1.462 20 5 EDBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331534529 141044302 /nfs/dbraw/zinc/04/43/02/141044302.db2.gz FFDYUEQJTLIQQN-LLVKDONJSA-N 1 2 333.352 1.157 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339415950 142041845 /nfs/dbraw/zinc/04/18/45/142041845.db2.gz XPJHIJAHMGVZOV-GFCCVEGCSA-N 1 2 335.339 1.655 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339415950 142041847 /nfs/dbraw/zinc/04/18/47/142041847.db2.gz XPJHIJAHMGVZOV-GFCCVEGCSA-N 1 2 335.339 1.655 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CN3CCOCC3)nc2c1 ZINC000345238991 143068468 /nfs/dbraw/zinc/06/84/68/143068468.db2.gz XCLGQXBSSZQUEQ-AWEZNQCLSA-N 1 2 345.403 1.768 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3CN3CCOCC3)nc2c1 ZINC000345238991 143068469 /nfs/dbraw/zinc/06/84/69/143068469.db2.gz XCLGQXBSSZQUEQ-AWEZNQCLSA-N 1 2 345.403 1.768 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346082852 143165794 /nfs/dbraw/zinc/16/57/94/143165794.db2.gz PTUKJFRNRAPZAF-GXFFZTMASA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346082852 143165795 /nfs/dbraw/zinc/16/57/95/143165795.db2.gz PTUKJFRNRAPZAF-GXFFZTMASA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)c1[N+](=O)[O-] ZINC000347304989 143305979 /nfs/dbraw/zinc/30/59/79/143305979.db2.gz ABTISJJJYGYASM-LLVKDONJSA-N 1 2 348.363 1.258 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000347375199 143314145 /nfs/dbraw/zinc/31/41/45/143314145.db2.gz TXAOZFMOACAYQO-ZDUSSCGKSA-N 1 2 339.417 1.642 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000347375199 143314146 /nfs/dbraw/zinc/31/41/46/143314146.db2.gz TXAOZFMOACAYQO-ZDUSSCGKSA-N 1 2 339.417 1.642 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000347511131 143330537 /nfs/dbraw/zinc/33/05/37/143330537.db2.gz BHWBKFBITWYGFN-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO Cc1ccc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1[N+](=O)[O-] ZINC000353814317 149538773 /nfs/dbraw/zinc/53/87/73/149538773.db2.gz ZKCDYZQKRMTCCY-UHFFFAOYSA-N 1 2 343.387 1.319 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)N(C)C ZINC000355028911 150082876 /nfs/dbraw/zinc/08/28/76/150082876.db2.gz ICBSHBWPHKSIDG-NSHDSACASA-N 1 2 337.380 1.125 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCNC(=O)N(C)C ZINC000355028911 150082877 /nfs/dbraw/zinc/08/28/77/150082877.db2.gz ICBSHBWPHKSIDG-NSHDSACASA-N 1 2 337.380 1.125 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355047518 150091494 /nfs/dbraw/zinc/09/14/94/150091494.db2.gz KIEZCDGAGKNWJP-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355047518 150091497 /nfs/dbraw/zinc/09/14/97/150091497.db2.gz KIEZCDGAGKNWJP-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000355423832 150263511 /nfs/dbraw/zinc/26/35/11/150263511.db2.gz DYGNAYUBPYWOAX-NHYWBVRUSA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1nn(CCc2nc(Cc3c[nH+]cn3C)no2)c(C)c1[N+](=O)[O-] ZINC000357929339 151199438 /nfs/dbraw/zinc/19/94/38/151199438.db2.gz CXWSIAMPHUCIHH-UHFFFAOYSA-N 1 2 331.336 1.358 20 5 EDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCn2cc[nH+]c2C1 ZINC000358167974 151293369 /nfs/dbraw/zinc/29/33/69/151293369.db2.gz FDNUYFPARKAENN-UHFFFAOYSA-N 1 2 325.328 1.788 20 5 EDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358386706 151358169 /nfs/dbraw/zinc/35/81/69/151358169.db2.gz BAJULEFYJWSGNA-UHFFFAOYSA-N 1 2 347.350 1.344 20 5 EDBDLO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000360586487 152110527 /nfs/dbraw/zinc/11/05/27/152110527.db2.gz VHPLFMAQOUHGRX-HUUCEWRRSA-N 1 2 335.408 1.164 20 5 EDBDLO CC(C)n1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000360586487 152110529 /nfs/dbraw/zinc/11/05/29/152110529.db2.gz VHPLFMAQOUHGRX-HUUCEWRRSA-N 1 2 335.408 1.164 20 5 EDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000360739178 152178119 /nfs/dbraw/zinc/17/81/19/152178119.db2.gz LOOIVLVVGAKITL-GFCCVEGCSA-N 1 2 339.355 1.946 20 5 EDBDLO Cc1nn(CCC(=O)N[C@H]2CCc3[nH+]ccn3C2)c(C)c1[N+](=O)[O-] ZINC000363634762 153018963 /nfs/dbraw/zinc/01/89/63/153018963.db2.gz OVOZRRGXXFCGDZ-LBPRGKRZSA-N 1 2 332.364 1.126 20 5 EDBDLO CN(CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1[N+](=O)[O-] ZINC000364056091 153134532 /nfs/dbraw/zinc/13/45/32/153134532.db2.gz KHDQUZMJYLZMBH-CYBMUJFWSA-N 1 2 343.387 1.781 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000364227324 153180468 /nfs/dbraw/zinc/18/04/68/153180468.db2.gz DETMEWAMKJMOQG-UHFFFAOYSA-N 1 2 347.824 1.762 20 5 EDBDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364334086 153208575 /nfs/dbraw/zinc/20/85/75/153208575.db2.gz DOCWEDNLEVGGJM-CYBMUJFWSA-N 1 2 337.424 1.981 20 5 EDBDLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364334086 153208578 /nfs/dbraw/zinc/20/85/78/153208578.db2.gz DOCWEDNLEVGGJM-CYBMUJFWSA-N 1 2 337.424 1.981 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364360075 153216368 /nfs/dbraw/zinc/21/63/68/153216368.db2.gz LCVHQHKLLUZPCE-GFCCVEGCSA-N 1 2 333.352 1.035 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1OC ZINC000364727213 153314955 /nfs/dbraw/zinc/31/49/55/153314955.db2.gz LKVWEBHJNGVIKO-SNVBAGLBSA-N 1 2 346.343 1.553 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000367488128 154146422 /nfs/dbraw/zinc/14/64/22/154146422.db2.gz FKVBXVUWBUXANH-UHFFFAOYSA-N 1 2 332.364 1.733 20 5 EDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369500646 155060996 /nfs/dbraw/zinc/06/09/96/155060996.db2.gz NSWAOPMRGJLSHM-CYBMUJFWSA-N 1 2 343.387 1.972 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369637065 155117428 /nfs/dbraw/zinc/11/74/28/155117428.db2.gz HYXIAYSOONCCLJ-LBPRGKRZSA-N 1 2 329.360 1.829 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374381781 157267644 /nfs/dbraw/zinc/26/76/44/157267644.db2.gz XIKRQKILSRYJIQ-GFCCVEGCSA-N 1 2 332.364 1.239 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000378297533 158132215 /nfs/dbraw/zinc/13/22/15/158132215.db2.gz UTUWTUWKFRJKPV-UHFFFAOYSA-N 1 2 334.355 1.575 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000378297533 158132217 /nfs/dbraw/zinc/13/22/17/158132217.db2.gz UTUWTUWKFRJKPV-UHFFFAOYSA-N 1 2 334.355 1.575 20 5 EDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065729634 287241241 /nfs/dbraw/zinc/24/12/41/287241241.db2.gz CVQLQGKMNSXURH-UHFFFAOYSA-N 1 2 331.267 1.150 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283976975 274034245 /nfs/dbraw/zinc/03/42/45/274034245.db2.gz MKRGVMZXFFRMGB-UHFFFAOYSA-N 1 2 340.355 1.157 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283976975 274034248 /nfs/dbraw/zinc/03/42/48/274034248.db2.gz MKRGVMZXFFRMGB-UHFFFAOYSA-N 1 2 340.355 1.157 20 5 EDBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000284843227 274355753 /nfs/dbraw/zinc/35/57/53/274355753.db2.gz CEJBUHMJALYMCC-AWEZNQCLSA-N 1 2 339.323 1.604 20 5 EDBDLO CCOc1cc(CN2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872323 274367556 /nfs/dbraw/zinc/36/75/56/274367556.db2.gz SOFKAAAHZRORQV-CVEARBPZSA-N 1 2 335.404 1.898 20 5 EDBDLO CCOc1cc(CN2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872323 274367557 /nfs/dbraw/zinc/36/75/57/274367557.db2.gz SOFKAAAHZRORQV-CVEARBPZSA-N 1 2 335.404 1.898 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332154559 276593741 /nfs/dbraw/zinc/59/37/41/276593741.db2.gz NOTZSIRULINEQA-NSHDSACASA-N 1 2 347.379 1.066 20 5 EDBDLO O=C1NCCCC[C@@H]1[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000370506726 280285069 /nfs/dbraw/zinc/28/50/69/280285069.db2.gz GFABAXYSEWGTKJ-AWEZNQCLSA-N 1 2 336.367 1.525 20 5 EDBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287431166 288237003 /nfs/dbraw/zinc/23/70/03/288237003.db2.gz POLVWRWEHIHGPP-UHFFFAOYSA-N 1 2 344.371 1.737 20 5 EDBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287431166 288237004 /nfs/dbraw/zinc/23/70/04/288237004.db2.gz POLVWRWEHIHGPP-UHFFFAOYSA-N 1 2 344.371 1.737 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000288178486 288423899 /nfs/dbraw/zinc/42/38/99/288423899.db2.gz QXGCWSLHRBHLDP-UHFFFAOYSA-N 1 2 334.380 1.738 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCOC1=O ZINC000289695502 288761719 /nfs/dbraw/zinc/76/17/19/288761719.db2.gz VXEIDGNVHOINMQ-HNNXBMFYSA-N 1 2 337.332 1.227 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293825935 303024961 /nfs/dbraw/zinc/02/49/61/303024961.db2.gz PIQGBMUAFZCQCR-TXEJJXNPSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293825935 303024962 /nfs/dbraw/zinc/02/49/62/303024962.db2.gz PIQGBMUAFZCQCR-TXEJJXNPSA-N 1 2 327.406 1.449 20 5 EDBDLO O=c1nc([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000295313129 303203461 /nfs/dbraw/zinc/20/34/61/303203461.db2.gz NIXRLDMTRMROCU-CYBMUJFWSA-N 1 2 333.348 1.612 20 5 EDBDLO O=c1nc([C@H]2CCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000295313129 303203462 /nfs/dbraw/zinc/20/34/62/303203462.db2.gz NIXRLDMTRMROCU-CYBMUJFWSA-N 1 2 333.348 1.612 20 5 EDBDLO NC(=O)C1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000295362586 303209227 /nfs/dbraw/zinc/20/92/27/303209227.db2.gz OORJDEUHETUPLW-UHFFFAOYSA-N 1 2 348.186 1.714 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000295885913 303279696 /nfs/dbraw/zinc/27/96/96/303279696.db2.gz YWICMJWKHRAUNR-UHFFFAOYSA-N 1 2 333.304 1.958 20 5 EDBDLO Cc1cc(F)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000296126836 303297016 /nfs/dbraw/zinc/29/70/16/303297016.db2.gz VVZXNIBVJJBLLD-UHFFFAOYSA-N 1 2 349.322 1.384 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000297744369 303437751 /nfs/dbraw/zinc/43/77/51/303437751.db2.gz DGMGTJGPCWLXJW-UHFFFAOYSA-N 1 2 345.359 1.553 20 5 EDBDLO C[C@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301535509 303682944 /nfs/dbraw/zinc/68/29/44/303682944.db2.gz MJYRDWDHLAIYPO-SECBINFHSA-N 1 2 345.197 1.255 20 5 EDBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421752151 304812157 /nfs/dbraw/zinc/81/21/57/304812157.db2.gz QEEAAEKFFFYBFE-UHFFFAOYSA-N 1 2 348.403 1.106 20 5 EDBDLO COc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000429546660 305031851 /nfs/dbraw/zinc/03/18/51/305031851.db2.gz CRFUSQZHFFPRAK-NSHDSACASA-N 1 2 331.332 1.936 20 5 EDBDLO C[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000447810111 305286020 /nfs/dbraw/zinc/28/60/20/305286020.db2.gz GKEUKJZRUBWQPW-GFCCVEGCSA-N 1 2 346.391 1.729 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448911912 305303732 /nfs/dbraw/zinc/30/37/32/305303732.db2.gz PZOJJEDQJVHTNE-ZDUSSCGKSA-N 1 2 349.387 1.395 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448911912 305303733 /nfs/dbraw/zinc/30/37/33/305303733.db2.gz PZOJJEDQJVHTNE-ZDUSSCGKSA-N 1 2 349.387 1.395 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450246544 305328169 /nfs/dbraw/zinc/32/81/69/305328169.db2.gz RCPFBWWQYJKTFM-UHFFFAOYSA-N 1 2 343.387 1.401 20 5 EDBDLO COC(=O)[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000548399707 306126868 /nfs/dbraw/zinc/12/68/68/306126868.db2.gz ZQGSCYRDVAHVSD-CQSZACIVSA-N 1 2 326.349 1.769 20 5 EDBDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000044742639 440883279 /nfs/dbraw/zinc/88/32/79/440883279.db2.gz SLUPHTKNYMORCW-AWEZNQCLSA-N 1 2 334.420 1.627 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000044742639 440883287 /nfs/dbraw/zinc/88/32/87/440883287.db2.gz SLUPHTKNYMORCW-AWEZNQCLSA-N 1 2 334.420 1.627 20 5 EDBDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008474357 441093124 /nfs/dbraw/zinc/09/31/24/441093124.db2.gz DWMPBVMLPNAABY-AWEZNQCLSA-N 1 2 334.420 1.878 20 5 EDBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000072073174 441205051 /nfs/dbraw/zinc/20/50/51/441205051.db2.gz ASBDEHFSEDJZIP-UHFFFAOYSA-N 1 2 325.340 1.809 20 5 EDBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000072073174 441205056 /nfs/dbraw/zinc/20/50/56/441205056.db2.gz ASBDEHFSEDJZIP-UHFFFAOYSA-N 1 2 325.340 1.809 20 5 EDBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NC[C@H]1CCCO1 ZINC000047743183 441223961 /nfs/dbraw/zinc/22/39/61/441223961.db2.gz QWUSUCFASUNPHX-MRXNPFEDSA-N 1 2 348.403 1.012 20 5 EDBDLO NC(=O)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000048025024 441252732 /nfs/dbraw/zinc/25/27/32/441252732.db2.gz NCNXLLDHFFNSIN-UHFFFAOYSA-N 1 2 345.359 1.732 20 5 EDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000022328813 441279752 /nfs/dbraw/zinc/27/97/52/441279752.db2.gz DOIYHNZPEIFZOR-ZDUSSCGKSA-N 1 2 332.404 1.380 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048372945 441300821 /nfs/dbraw/zinc/30/08/21/441300821.db2.gz JYRMRBHPKJTEQV-UHFFFAOYSA-N 1 2 344.375 1.493 20 5 EDBDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000026489071 441378708 /nfs/dbraw/zinc/37/87/08/441378708.db2.gz XHZDQXIRZYQPIF-CQSZACIVSA-N 1 2 347.419 1.370 20 5 EDBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197027 441369821 /nfs/dbraw/zinc/36/98/21/441369821.db2.gz VZYUCYIKMVQAHT-GXTWGEPZSA-N 1 2 333.388 1.983 20 5 EDBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197027 441369825 /nfs/dbraw/zinc/36/98/25/441369825.db2.gz VZYUCYIKMVQAHT-GXTWGEPZSA-N 1 2 333.388 1.983 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000041992199 441691271 /nfs/dbraw/zinc/69/12/71/441691271.db2.gz LRVIUHVYLFICCR-LLVKDONJSA-N 1 2 331.332 1.243 20 5 EDBDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000136604572 441706089 /nfs/dbraw/zinc/70/60/89/441706089.db2.gz UXZOTBQMAFQCCW-UHFFFAOYSA-N 1 2 345.359 1.080 20 5 EDBDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000136604572 441706094 /nfs/dbraw/zinc/70/60/94/441706094.db2.gz UXZOTBQMAFQCCW-UHFFFAOYSA-N 1 2 345.359 1.080 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000068216286 441754901 /nfs/dbraw/zinc/75/49/01/441754901.db2.gz CIWSQKFETFXYRY-UHFFFAOYSA-N 1 2 339.396 1.111 20 5 EDBDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116272953 441805990 /nfs/dbraw/zinc/80/59/90/441805990.db2.gz JIXLTXKRJKOYCK-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116272953 441805996 /nfs/dbraw/zinc/80/59/96/441805996.db2.gz JIXLTXKRJKOYCK-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000116448308 441823206 /nfs/dbraw/zinc/82/32/06/441823206.db2.gz QWURYKWNQRVKKM-CYBMUJFWSA-N 1 2 337.376 1.123 20 5 EDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000174368117 441917601 /nfs/dbraw/zinc/91/76/01/441917601.db2.gz OGQZSULHFXOPGW-LBPRGKRZSA-N 1 2 349.387 1.613 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093343585 441880262 /nfs/dbraw/zinc/88/02/62/441880262.db2.gz YBEJLQMZTLWYGE-PGUXBMHVSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093343585 441880268 /nfs/dbraw/zinc/88/02/68/441880268.db2.gz YBEJLQMZTLWYGE-PGUXBMHVSA-N 1 2 337.376 1.633 20 5 EDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](Cc2cccnc2)CC1 ZINC000124603836 441938910 /nfs/dbraw/zinc/93/89/10/441938910.db2.gz JJHMSQTUIPOMQA-UHFFFAOYSA-N 1 2 342.359 1.735 20 5 EDBDLO Cc1cnc(NCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000078632286 441955373 /nfs/dbraw/zinc/95/53/73/441955373.db2.gz QKRIZFCKXXPKLN-UHFFFAOYSA-N 1 2 343.391 1.322 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127966200 442236841 /nfs/dbraw/zinc/23/68/41/442236841.db2.gz QRNRHZWQKIOWIF-HNNXBMFYSA-N 1 2 348.447 1.936 20 5 EDBDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127966200 442236845 /nfs/dbraw/zinc/23/68/45/442236845.db2.gz QRNRHZWQKIOWIF-HNNXBMFYSA-N 1 2 348.447 1.936 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178270445 442420484 /nfs/dbraw/zinc/42/04/84/442420484.db2.gz OTYXHEMHGFVAOS-LBPRGKRZSA-N 1 2 332.364 1.006 20 5 EDBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000172796860 442543845 /nfs/dbraw/zinc/54/38/45/442543845.db2.gz HGOGJYJITSCBMA-UHFFFAOYSA-N 1 2 334.763 1.900 20 5 EDBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000172796860 442543850 /nfs/dbraw/zinc/54/38/50/442543850.db2.gz HGOGJYJITSCBMA-UHFFFAOYSA-N 1 2 334.763 1.900 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000191809522 442515364 /nfs/dbraw/zinc/51/53/64/442515364.db2.gz RKKRUANMNKYXHA-UHFFFAOYSA-N 1 2 328.332 1.697 20 5 EDBDLO CC(C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179086019 442569657 /nfs/dbraw/zinc/56/96/57/442569657.db2.gz ZHEKCKXEQGRVFU-CYBMUJFWSA-N 1 2 332.360 1.917 20 5 EDBDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000182465561 442771117 /nfs/dbraw/zinc/77/11/17/442771117.db2.gz DRDLMTJXXVWBKN-MRXNPFEDSA-N 1 2 345.355 1.802 20 5 EDBDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000182465561 442771122 /nfs/dbraw/zinc/77/11/22/442771122.db2.gz DRDLMTJXXVWBKN-MRXNPFEDSA-N 1 2 345.355 1.802 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000194532414 442911301 /nfs/dbraw/zinc/91/13/01/442911301.db2.gz DLELSSDEPDLHIZ-UHFFFAOYSA-N 1 2 348.403 1.573 20 5 EDBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000194662080 442934271 /nfs/dbraw/zinc/93/42/71/442934271.db2.gz ZJHDGXSRRDLCGX-UHFFFAOYSA-N 1 2 340.299 1.206 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268716689 443087436 /nfs/dbraw/zinc/08/74/36/443087436.db2.gz UWBMOFWMNZYHHW-NVXWUHKLSA-N 1 2 346.387 1.616 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000268716689 443087440 /nfs/dbraw/zinc/08/74/40/443087440.db2.gz UWBMOFWMNZYHHW-NVXWUHKLSA-N 1 2 346.387 1.616 20 5 EDBDLO COC(=O)Cc1ccc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000296658018 318715439 /nfs/dbraw/zinc/71/54/39/318715439.db2.gz YAYFZELXTAJXDQ-LBPRGKRZSA-N 1 2 337.376 1.443 20 5 EDBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185136859 443146384 /nfs/dbraw/zinc/14/63/84/443146384.db2.gz JUDHPHNLOSSFAO-SDWAUSNYSA-N 1 2 338.389 1.844 20 5 EDBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000185136859 443146387 /nfs/dbraw/zinc/14/63/87/443146387.db2.gz JUDHPHNLOSSFAO-SDWAUSNYSA-N 1 2 338.389 1.844 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185004214 443116324 /nfs/dbraw/zinc/11/63/24/443116324.db2.gz QOSGYAHVWSDTPC-NEPJUHHUSA-N 1 2 339.367 1.674 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000269258857 443255125 /nfs/dbraw/zinc/25/51/25/443255125.db2.gz AMUAKGFJTOHTGF-LBPRGKRZSA-N 1 2 335.360 1.095 20 5 EDBDLO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269477801 443319319 /nfs/dbraw/zinc/31/93/19/443319319.db2.gz KVQPXHJXJNWCCC-SNVBAGLBSA-N 1 2 342.197 1.164 20 5 EDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278457936 443337527 /nfs/dbraw/zinc/33/75/27/443337527.db2.gz ZGKRNDLGGWOWPZ-CYBMUJFWSA-N 1 2 334.332 1.700 20 5 EDBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278457936 443337530 /nfs/dbraw/zinc/33/75/30/443337530.db2.gz ZGKRNDLGGWOWPZ-CYBMUJFWSA-N 1 2 334.332 1.700 20 5 EDBDLO O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000272534857 443354294 /nfs/dbraw/zinc/35/42/94/443354294.db2.gz PEZOGGHHEOZHOI-UHFFFAOYSA-N 1 2 348.352 1.165 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000267523914 443484871 /nfs/dbraw/zinc/48/48/71/443484871.db2.gz QZGSQSDYWKIMBC-UHFFFAOYSA-N 1 2 343.387 1.529 20 5 EDBDLO CN(C[C@H]1CC[N@H+](C)C1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272856278 443469172 /nfs/dbraw/zinc/46/91/72/443469172.db2.gz PMFJXPZJLFLNCM-VIFPVBQESA-N 1 2 333.435 1.448 20 5 EDBDLO CN(C[C@H]1CC[N@@H+](C)C1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272856278 443469177 /nfs/dbraw/zinc/46/91/77/443469177.db2.gz PMFJXPZJLFLNCM-VIFPVBQESA-N 1 2 333.435 1.448 20 5 EDBDLO COc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000279258780 443543103 /nfs/dbraw/zinc/54/31/03/443543103.db2.gz IATGEEWHXOPPLH-LBPRGKRZSA-N 1 2 337.376 1.396 20 5 EDBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283569917 443663188 /nfs/dbraw/zinc/66/31/88/443663188.db2.gz OJVHFHWWCDDGBY-GFCCVEGCSA-N 1 2 345.396 1.638 20 5 EDBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283569917 443663191 /nfs/dbraw/zinc/66/31/91/443663191.db2.gz OJVHFHWWCDDGBY-GFCCVEGCSA-N 1 2 345.396 1.638 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000434762015 320002656 /nfs/dbraw/zinc/00/26/56/320002656.db2.gz FDYPWPDYBQRGKT-NSHDSACASA-N 1 2 345.446 1.952 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)s1 ZINC000434762015 320002658 /nfs/dbraw/zinc/00/26/58/320002658.db2.gz FDYPWPDYBQRGKT-NSHDSACASA-N 1 2 345.446 1.952 20 5 EDBDLO O=C(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])NC1CC1 ZINC000447802925 320144869 /nfs/dbraw/zinc/14/48/69/320144869.db2.gz OSOQWRRHJMAKDS-UHFFFAOYSA-N 1 2 334.376 1.118 20 5 EDBDLO O=C(CCC(=O)N1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000448965777 320166692 /nfs/dbraw/zinc/16/66/92/320166692.db2.gz YSOUUVKITZJRQD-UHFFFAOYSA-N 1 2 328.328 1.797 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000276805056 443834506 /nfs/dbraw/zinc/83/45/06/443834506.db2.gz WLLHNRSZAZVGGI-CQSZACIVSA-N 1 2 329.360 1.457 20 5 EDBDLO COc1ccc(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000531325280 320655496 /nfs/dbraw/zinc/65/54/96/320655496.db2.gz VTBHVEZDKKNVRX-LBPRGKRZSA-N 1 2 332.360 1.795 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299201556 443981703 /nfs/dbraw/zinc/98/17/03/443981703.db2.gz DMTBXGNIPCAFAD-SECBINFHSA-N 1 2 344.780 1.812 20 5 EDBDLO O=c1nc([C@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[nH][nH]1 ZINC000289043241 444040554 /nfs/dbraw/zinc/04/05/54/444040554.db2.gz BPUBZFRCMSAGOS-GFCCVEGCSA-N 1 2 333.348 1.612 20 5 EDBDLO O=c1nc([C@H]2CCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])[nH][nH]1 ZINC000289043241 444040560 /nfs/dbraw/zinc/04/05/60/444040560.db2.gz BPUBZFRCMSAGOS-GFCCVEGCSA-N 1 2 333.348 1.612 20 5 EDBDLO C[C@@H](c1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000549186098 320903675 /nfs/dbraw/zinc/90/36/75/320903675.db2.gz TWJJEXYHPOIHKS-NSHDSACASA-N 1 2 345.359 1.963 20 5 EDBDLO CC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000299487752 444061048 /nfs/dbraw/zinc/06/10/48/444061048.db2.gz HKPNNPMAESNPJG-INIZCTEOSA-N 1 2 346.343 1.852 20 5 EDBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563394474 321108006 /nfs/dbraw/zinc/10/80/06/321108006.db2.gz OHSWYHRLHFVZCW-SECBINFHSA-N 1 2 328.332 1.689 20 5 EDBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 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Cc1noc([C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000344195456 444833827 /nfs/dbraw/zinc/83/38/27/444833827.db2.gz KVBUDFIJROFHJP-AWEZNQCLSA-N 1 2 347.375 1.654 20 5 EDBDLO Cc1noc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000344195456 444833831 /nfs/dbraw/zinc/83/38/31/444833831.db2.gz KVBUDFIJROFHJP-AWEZNQCLSA-N 1 2 347.375 1.654 20 5 EDBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1cccc(F)c1 ZINC000341579170 444905044 /nfs/dbraw/zinc/90/50/44/444905044.db2.gz CAZDLKAUGBGMSF-UHFFFAOYSA-N 1 2 348.334 1.466 20 5 EDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1cccc(F)c1 ZINC000341579170 444905047 /nfs/dbraw/zinc/90/50/47/444905047.db2.gz CAZDLKAUGBGMSF-UHFFFAOYSA-N 1 2 348.334 1.466 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000341721463 444970343 /nfs/dbraw/zinc/97/03/43/444970343.db2.gz LEUUFFGJXUMTPO-UHFFFAOYSA-N 1 2 346.366 1.758 20 5 EDBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2[nH+]1 ZINC000338919478 444932025 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O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000348443802 445292967 /nfs/dbraw/zinc/29/29/67/445292967.db2.gz AENFOSMLYKOVTK-LBPRGKRZSA-N 1 2 345.363 1.152 20 5 EDBDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000349021198 445477973 /nfs/dbraw/zinc/47/79/73/445477973.db2.gz BWOSPSGMYOODHS-CYBMUJFWSA-N 1 2 341.433 1.759 20 5 EDBDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000349021198 445477979 /nfs/dbraw/zinc/47/79/79/445477979.db2.gz BWOSPSGMYOODHS-CYBMUJFWSA-N 1 2 341.433 1.759 20 5 EDBDLO Cc1n[nH]c(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000357118899 445438559 /nfs/dbraw/zinc/43/85/59/445438559.db2.gz KPUOCDOXXGOYCT-UHFFFAOYSA-N 1 2 344.375 1.729 20 5 EDBDLO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nncn1C ZINC000352490319 445533203 /nfs/dbraw/zinc/53/32/03/445533203.db2.gz IGEKKRGZJVPDBI-CYBMUJFWSA-N 1 2 332.364 1.309 20 5 EDBDLO CN1CCO[C@@H]2C[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000352095223 445489908 /nfs/dbraw/zinc/48/99/08/445489908.db2.gz BKSCMEOPLPRPDU-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@@H]2C[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000352095223 445489913 /nfs/dbraw/zinc/48/99/13/445489913.db2.gz BKSCMEOPLPRPDU-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000352095223 445489916 /nfs/dbraw/zinc/48/99/16/445489916.db2.gz BKSCMEOPLPRPDU-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000352095223 445489919 /nfs/dbraw/zinc/48/99/19/445489919.db2.gz BKSCMEOPLPRPDU-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO NC(=O)c1ccnc(Nc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000357239598 445500587 /nfs/dbraw/zinc/50/05/87/445500587.db2.gz PGJILESHLDJEDU-UHFFFAOYSA-N 1 2 344.331 1.064 20 5 EDBDLO Cc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000353432881 445599254 /nfs/dbraw/zinc/59/92/54/445599254.db2.gz DCIFWAGHBKDEEK-UHFFFAOYSA-N 1 2 329.404 1.955 20 5 EDBDLO Cc1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000353432881 445599257 /nfs/dbraw/zinc/59/92/57/445599257.db2.gz DCIFWAGHBKDEEK-UHFFFAOYSA-N 1 2 329.404 1.955 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000362896697 445601868 /nfs/dbraw/zinc/60/18/68/445601868.db2.gz ROEDJEILPBRPBV-CYBMUJFWSA-N 1 2 345.396 1.695 20 5 EDBDLO CC(C)[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000362896697 445601873 /nfs/dbraw/zinc/60/18/73/445601873.db2.gz ROEDJEILPBRPBV-CYBMUJFWSA-N 1 2 345.396 1.695 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363056184 445663200 /nfs/dbraw/zinc/66/32/00/445663200.db2.gz ULWSJEAYXRPPJQ-BFHYXJOUSA-N 1 2 331.372 1.857 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363056184 445663205 /nfs/dbraw/zinc/66/32/05/445663205.db2.gz ULWSJEAYXRPPJQ-BFHYXJOUSA-N 1 2 331.372 1.857 20 5 EDBDLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)CC1 ZINC000363796500 445876525 /nfs/dbraw/zinc/87/65/25/445876525.db2.gz NXQQIBCXODXIJU-CYBMUJFWSA-N 1 2 348.403 1.199 20 5 EDBDLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)CC1 ZINC000363796500 445876531 /nfs/dbraw/zinc/87/65/31/445876531.db2.gz NXQQIBCXODXIJU-CYBMUJFWSA-N 1 2 348.403 1.199 20 5 EDBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccncc3[N+](=O)[O-])cn2c1 ZINC000359024982 445893853 /nfs/dbraw/zinc/89/38/53/445893853.db2.gz JFOODPVBZMNLFO-UHFFFAOYSA-N 1 2 326.316 1.690 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000350829187 445919303 /nfs/dbraw/zinc/91/93/03/445919303.db2.gz IFPKRTUORVZFSW-VXGBXAGGSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000350829187 445919309 /nfs/dbraw/zinc/91/93/09/445919309.db2.gz IFPKRTUORVZFSW-VXGBXAGGSA-N 1 2 327.406 1.449 20 5 EDBDLO Cc1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000584227388 326224362 /nfs/dbraw/zinc/22/43/62/326224362.db2.gz OWGOGBKZSMSDOQ-UHFFFAOYSA-N 1 2 325.346 1.455 20 5 EDBDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373259812 446129246 /nfs/dbraw/zinc/12/92/46/446129246.db2.gz MYDUGWHQAMETDN-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373259812 446129251 /nfs/dbraw/zinc/12/92/51/446129251.db2.gz MYDUGWHQAMETDN-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO O=C(CC[N@@H+]1CCO[C@H]2CCOC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000366334858 446159039 /nfs/dbraw/zinc/15/90/39/446159039.db2.gz SRTPAWCNWDWAQF-CABCVRRESA-N 1 2 335.360 1.413 20 5 EDBDLO O=C(CC[N@H+]1CCO[C@H]2CCOC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000366334858 446159045 /nfs/dbraw/zinc/15/90/45/446159045.db2.gz SRTPAWCNWDWAQF-CABCVRRESA-N 1 2 335.360 1.413 20 5 EDBDLO C[C@@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000365674080 446296022 /nfs/dbraw/zinc/29/60/22/446296022.db2.gz CFPBBVRWBCKSCK-WKPIXPDZSA-N 1 2 337.351 1.379 20 5 EDBDLO C[C@@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000365674080 446296027 /nfs/dbraw/zinc/29/60/27/446296027.db2.gz CFPBBVRWBCKSCK-WKPIXPDZSA-N 1 2 337.351 1.379 20 5 EDBDLO Cc1c(CNC(=O)N(C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000359535973 446280083 /nfs/dbraw/zinc/28/00/83/446280083.db2.gz WGECPIWMGXKHIC-UHFFFAOYSA-N 1 2 336.392 1.377 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374901749 446445613 /nfs/dbraw/zinc/44/56/13/446445613.db2.gz KXZWRSNMDMRHFZ-CYBMUJFWSA-N 1 2 349.778 1.618 20 5 EDBDLO C[C@@H](O)c1cn(C2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000374817810 446404690 /nfs/dbraw/zinc/40/46/90/446404690.db2.gz JKBFFDJDNGSDNM-FVOPLDGLSA-N 1 2 329.360 1.810 20 5 EDBDLO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376446889 446501831 /nfs/dbraw/zinc/50/18/31/446501831.db2.gz DLPYBZKFZGIMOT-ZDUSSCGKSA-N 1 2 333.436 1.782 20 5 EDBDLO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376446889 446501837 /nfs/dbraw/zinc/50/18/37/446501837.db2.gz DLPYBZKFZGIMOT-ZDUSSCGKSA-N 1 2 333.436 1.782 20 5 EDBDLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000434476507 446648314 /nfs/dbraw/zinc/64/83/14/446648314.db2.gz JIKRENLMAOIWMV-GFCCVEGCSA-N 1 2 331.380 1.849 20 5 EDBDLO CC(C)n1ncnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000434476507 446648316 /nfs/dbraw/zinc/64/83/16/446648316.db2.gz JIKRENLMAOIWMV-GFCCVEGCSA-N 1 2 331.380 1.849 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368466807 446881437 /nfs/dbraw/zinc/88/14/37/446881437.db2.gz SIISKGQJBRYTCO-UHFFFAOYSA-N 1 2 332.364 1.291 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000368506009 446907905 /nfs/dbraw/zinc/90/79/05/446907905.db2.gz ZOXUCPSWMHLNQM-MRXNPFEDSA-N 1 2 335.360 1.797 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000368506009 446907914 /nfs/dbraw/zinc/90/79/14/446907914.db2.gz ZOXUCPSWMHLNQM-MRXNPFEDSA-N 1 2 335.360 1.797 20 5 EDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000377157311 446957629 /nfs/dbraw/zinc/95/76/29/446957629.db2.gz FANJUUFAXCKURH-AWEZNQCLSA-N 1 2 333.388 1.956 20 5 EDBDLO C[C@H]1CC[C@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033915 447004308 /nfs/dbraw/zinc/00/43/08/447004308.db2.gz XVKYHPUIMFNEBU-AAEUAGOBSA-N 1 2 328.390 1.214 20 5 EDBDLO C[C@H]1CC[C@H](O)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033915 447004313 /nfs/dbraw/zinc/00/43/13/447004313.db2.gz XVKYHPUIMFNEBU-AAEUAGOBSA-N 1 2 328.390 1.214 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC000368783430 447101698 /nfs/dbraw/zinc/10/16/98/447101698.db2.gz MBQDHKXFFJMJQA-CYBMUJFWSA-N 1 2 341.331 1.683 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC000368783430 447101703 /nfs/dbraw/zinc/10/17/03/447101703.db2.gz MBQDHKXFFJMJQA-CYBMUJFWSA-N 1 2 341.331 1.683 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000444185032 447092064 /nfs/dbraw/zinc/09/20/64/447092064.db2.gz PWLIMEGIOHKJBL-UHFFFAOYSA-N 1 2 329.360 1.973 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000444185032 447092069 /nfs/dbraw/zinc/09/20/69/447092069.db2.gz PWLIMEGIOHKJBL-UHFFFAOYSA-N 1 2 329.360 1.973 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000425417795 447154033 /nfs/dbraw/zinc/15/40/33/447154033.db2.gz IIGAAFWPMHEHNJ-MNOVXSKESA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000425417795 447154040 /nfs/dbraw/zinc/15/40/40/447154040.db2.gz IIGAAFWPMHEHNJ-MNOVXSKESA-N 1 2 331.166 1.285 20 5 EDBDLO C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450786183 447576265 /nfs/dbraw/zinc/57/62/65/447576265.db2.gz BRHDHQISCYHCLZ-LLVKDONJSA-N 1 2 343.343 1.083 20 5 EDBDLO CC(C)(C)OC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459498130 447688981 /nfs/dbraw/zinc/68/89/81/447688981.db2.gz UYVZSKLACYIARS-UHFFFAOYSA-N 1 2 336.392 1.844 20 5 EDBDLO O=C(C[N@@H+]1CC[C@H](CN2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000496842818 447960685 /nfs/dbraw/zinc/96/06/85/447960685.db2.gz YNKYHRKTNUJMNM-LBPRGKRZSA-N 1 2 348.359 1.307 20 5 EDBDLO O=C(C[N@H+]1CC[C@H](CN2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000496842818 447960693 /nfs/dbraw/zinc/96/06/93/447960693.db2.gz YNKYHRKTNUJMNM-LBPRGKRZSA-N 1 2 348.359 1.307 20 5 EDBDLO CCc1nc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000525782917 448025529 /nfs/dbraw/zinc/02/55/29/448025529.db2.gz DPTLTJVQUBJMSL-GFCCVEGCSA-N 1 2 325.394 1.303 20 5 EDBDLO CCc1nc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000525782917 448025534 /nfs/dbraw/zinc/02/55/34/448025534.db2.gz DPTLTJVQUBJMSL-GFCCVEGCSA-N 1 2 325.394 1.303 20 5 EDBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000591068324 448251585 /nfs/dbraw/zinc/25/15/85/448251585.db2.gz FVTFSIRBYPTNJX-IXDOHACOSA-N 1 2 345.399 1.631 20 5 EDBDLO CC(C)Oc1nc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000516937904 448503169 /nfs/dbraw/zinc/50/31/69/448503169.db2.gz PLAZURHTQCAOCO-CHWSQXEVSA-N 1 2 338.408 2.298 20 5 EDBDLO O=[N+]([O-])c1cc2c(nc1N1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000591925188 448584333 /nfs/dbraw/zinc/58/43/33/448584333.db2.gz SBLPAUCINKCHEV-AWEZNQCLSA-N 1 2 332.404 1.780 20 5 EDBDLO CC(C)Oc1nc(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000566925038 448587337 /nfs/dbraw/zinc/58/73/37/448587337.db2.gz XEJURYKWLMKMQP-UHFFFAOYSA-N 1 2 338.408 2.300 20 5 EDBDLO Cn1c[nH+]cc1CCCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000567292590 448659209 /nfs/dbraw/zinc/65/92/09/448659209.db2.gz UZUHFYMRPLUYMQ-UHFFFAOYSA-N 1 2 329.316 1.778 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)O1 ZINC000567368047 448678666 /nfs/dbraw/zinc/67/86/66/448678666.db2.gz KGNAMOFUHYTALA-PHIMTYICSA-N 1 2 333.344 1.300 20 5 EDBDLO C[C@@H]1C[N@H+](CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)O1 ZINC000567368047 448678668 /nfs/dbraw/zinc/67/86/68/448678668.db2.gz KGNAMOFUHYTALA-PHIMTYICSA-N 1 2 333.344 1.300 20 5 EDBDLO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C(F)(F)F ZINC000589198232 448987813 /nfs/dbraw/zinc/98/78/13/448987813.db2.gz VNFZSDABUWMBHY-LBPRGKRZSA-N 1 2 336.266 1.721 20 5 EDBDLO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C(F)(F)F ZINC000589198232 448987819 /nfs/dbraw/zinc/98/78/19/448987819.db2.gz VNFZSDABUWMBHY-LBPRGKRZSA-N 1 2 336.266 1.721 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCn3cc(C)[nH+]c3C2)c1 ZINC000589510577 449027081 /nfs/dbraw/zinc/02/70/81/449027081.db2.gz LKVDBLVULOPRBH-UHFFFAOYSA-N 1 2 330.344 1.902 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000597844846 449119556 /nfs/dbraw/zinc/11/95/56/449119556.db2.gz CUUKSTNEIOJEPG-LBPRGKRZSA-N 1 2 333.348 1.213 20 5 EDBDLO COc1cc(OCC(=O)N2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000599951151 449123847 /nfs/dbraw/zinc/12/38/47/449123847.db2.gz AIIBKPHRYOZGOM-UHFFFAOYSA-N 1 2 332.316 1.290 20 5 EDBDLO COc1cc(OCC(=O)N2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000599951151 449123849 /nfs/dbraw/zinc/12/38/49/449123849.db2.gz AIIBKPHRYOZGOM-UHFFFAOYSA-N 1 2 332.316 1.290 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595744653 449143346 /nfs/dbraw/zinc/14/33/46/449143346.db2.gz LFHAFTDNDGXFOQ-QWRGUYRKSA-N 1 2 337.376 1.491 20 5 EDBDLO C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598000271 449186117 /nfs/dbraw/zinc/18/61/17/449186117.db2.gz YSHPWIUPXQCBOH-MGPQQGTHSA-N 1 2 335.404 1.924 20 5 EDBDLO C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000598000271 449186123 /nfs/dbraw/zinc/18/61/23/449186123.db2.gz YSHPWIUPXQCBOH-MGPQQGTHSA-N 1 2 335.404 1.924 20 5 EDBDLO CNC(=O)NC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600193770 449237323 /nfs/dbraw/zinc/23/73/23/449237323.db2.gz RAHWPUOHWNDSCY-WDBUWWRISA-N 1 2 348.403 1.628 20 5 EDBDLO CNC(=O)NC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600193770 449237326 /nfs/dbraw/zinc/23/73/26/449237326.db2.gz RAHWPUOHWNDSCY-WDBUWWRISA-N 1 2 348.403 1.628 20 5 EDBDLO COc1ccc(NC(=O)CC[N@H+](C)Cc2nc(C)no2)c([N+](=O)[O-])c1 ZINC000594052962 449339672 /nfs/dbraw/zinc/33/96/72/449339672.db2.gz KIBKNIATKGLGOB-UHFFFAOYSA-N 1 2 349.347 1.755 20 5 EDBDLO COc1ccc(NC(=O)CC[N@@H+](C)Cc2nc(C)no2)c([N+](=O)[O-])c1 ZINC000594052962 449339677 /nfs/dbraw/zinc/33/96/77/449339677.db2.gz KIBKNIATKGLGOB-UHFFFAOYSA-N 1 2 349.347 1.755 20 5 EDBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000596069942 449347410 /nfs/dbraw/zinc/34/74/10/449347410.db2.gz KPJMBEODFQISFZ-MRXNPFEDSA-N 1 2 349.435 1.378 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600420085 449365797 /nfs/dbraw/zinc/36/57/97/449365797.db2.gz IMUPVGCRFPKZPG-CYBMUJFWSA-N 1 2 332.360 1.065 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600420085 449365800 /nfs/dbraw/zinc/36/58/00/449365800.db2.gz IMUPVGCRFPKZPG-CYBMUJFWSA-N 1 2 332.360 1.065 20 5 EDBDLO NC(=O)c1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000596173030 449396271 /nfs/dbraw/zinc/39/62/71/449396271.db2.gz OZRYRXSUHXQGQY-LBPRGKRZSA-N 1 2 327.344 1.780 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459294 449406708 /nfs/dbraw/zinc/40/67/08/449406708.db2.gz GVWMRKFIYPGARB-WDEREUQCSA-N 1 2 349.395 1.438 20 5 EDBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596219737 449422348 /nfs/dbraw/zinc/42/23/48/449422348.db2.gz DUMMIPGHWANZAF-UHFFFAOYSA-N 1 2 341.371 1.724 20 5 EDBDLO CN1CC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1(C)C ZINC000596221178 449423138 /nfs/dbraw/zinc/42/31/38/449423138.db2.gz AWVFWBUIMDQGMU-UHFFFAOYSA-N 1 2 335.408 1.132 20 5 EDBDLO CN1CC[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1(C)C ZINC000596221178 449423142 /nfs/dbraw/zinc/42/31/42/449423142.db2.gz AWVFWBUIMDQGMU-UHFFFAOYSA-N 1 2 335.408 1.132 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])s2)C1=O ZINC000611930496 449477409 /nfs/dbraw/zinc/47/74/09/449477409.db2.gz PFDAATNNDYHTBS-JTQLQIEISA-N 1 2 335.389 1.993 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608429 449491042 /nfs/dbraw/zinc/49/10/42/449491042.db2.gz SMPXBDLHQSZYON-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608429 449491046 /nfs/dbraw/zinc/49/10/46/449491046.db2.gz SMPXBDLHQSZYON-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cccc(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[nH+]1 ZINC000598623654 449501461 /nfs/dbraw/zinc/50/14/61/449501461.db2.gz ZUZMNIOCBULGEA-UHFFFAOYSA-N 1 2 344.375 1.579 20 5 EDBDLO COC(=O)c1ccnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000598634804 449510546 /nfs/dbraw/zinc/51/05/46/449510546.db2.gz SQRRBWWMLCFDSX-QWRGUYRKSA-N 1 2 338.364 1.298 20 5 EDBDLO COC(=O)c1ccnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000598634804 449510552 /nfs/dbraw/zinc/51/05/52/449510552.db2.gz SQRRBWWMLCFDSX-QWRGUYRKSA-N 1 2 338.364 1.298 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CCCO)C2CC2)cc1 ZINC000612077861 449554866 /nfs/dbraw/zinc/55/48/66/449554866.db2.gz RUXYMLXANNUMFF-UHFFFAOYSA-N 1 2 328.390 1.215 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCCO)C2CC2)cc1 ZINC000612077861 449554869 /nfs/dbraw/zinc/55/48/69/449554869.db2.gz RUXYMLXANNUMFF-UHFFFAOYSA-N 1 2 328.390 1.215 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599076084 449719496 /nfs/dbraw/zinc/71/94/96/449719496.db2.gz BTXHYEZRIPJZOB-HZPDHXFCSA-N 1 2 345.403 1.338 20 5 EDBDLO COCC[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601100478 449689150 /nfs/dbraw/zinc/68/91/50/449689150.db2.gz DOPHIRRPMQUDLG-UHFFFAOYSA-N 1 2 337.302 1.116 20 5 EDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](Cn2ccnn2)C1 ZINC000601196005 449744785 /nfs/dbraw/zinc/74/47/85/449744785.db2.gz CSWXNWVRQJGJAV-CYBMUJFWSA-N 1 2 340.343 1.640 20 5 EDBDLO Cc1ccnc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000599130755 449753881 /nfs/dbraw/zinc/75/38/81/449753881.db2.gz JZSSIBPFWJYXJS-MRXNPFEDSA-N 1 2 336.392 1.326 20 5 EDBDLO Cc1ccnc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000599130755 449753886 /nfs/dbraw/zinc/75/38/86/449753886.db2.gz JZSSIBPFWJYXJS-MRXNPFEDSA-N 1 2 336.392 1.326 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H](O)C(F)F ZINC000601222301 449759239 /nfs/dbraw/zinc/75/92/39/449759239.db2.gz JSCFXSDWVDWXTD-AWEZNQCLSA-N 1 2 345.346 1.855 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000599161595 449770717 /nfs/dbraw/zinc/77/07/17/449770717.db2.gz UAENLQWVXZUCAM-SECBINFHSA-N 1 2 331.170 1.495 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000599161595 449770724 /nfs/dbraw/zinc/77/07/24/449770724.db2.gz UAENLQWVXZUCAM-SECBINFHSA-N 1 2 331.170 1.495 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000602830786 449841483 /nfs/dbraw/zinc/84/14/83/449841483.db2.gz SGKAHFDBOVRHSL-ZDUSSCGKSA-N 1 2 336.421 1.623 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000602830786 449841488 /nfs/dbraw/zinc/84/14/88/449841488.db2.gz SGKAHFDBOVRHSL-ZDUSSCGKSA-N 1 2 336.421 1.623 20 5 EDBDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602875894 449884365 /nfs/dbraw/zinc/88/43/65/449884365.db2.gz GBOYBDCEJQBWCK-AWEZNQCLSA-N 1 2 332.360 1.474 20 5 EDBDLO Cc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000601375647 449891044 /nfs/dbraw/zinc/89/10/44/449891044.db2.gz ZEQDNMHGWAJKNU-UHFFFAOYSA-N 1 2 344.418 1.872 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601378734 449893831 /nfs/dbraw/zinc/89/38/31/449893831.db2.gz WSSIIJRXBBEROW-SECBINFHSA-N 1 2 333.435 1.679 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601378734 449893835 /nfs/dbraw/zinc/89/38/35/449893835.db2.gz WSSIIJRXBBEROW-SECBINFHSA-N 1 2 333.435 1.679 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595219478 449954919 /nfs/dbraw/zinc/95/49/19/449954919.db2.gz GBZROPWXJSXSHQ-SNVBAGLBSA-N 1 2 331.332 1.453 20 5 EDBDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602914673 449916673 /nfs/dbraw/zinc/91/66/73/449916673.db2.gz DWDRKMJDGNQKTD-HNNXBMFYSA-N 1 2 340.380 1.144 20 5 EDBDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602914673 449916680 /nfs/dbraw/zinc/91/66/80/449916680.db2.gz DWDRKMJDGNQKTD-HNNXBMFYSA-N 1 2 340.380 1.144 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609387671 450021856 /nfs/dbraw/zinc/02/18/56/450021856.db2.gz CMUBNDQMNSFRKO-LLVKDONJSA-N 1 2 343.380 1.497 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387671 450021860 /nfs/dbraw/zinc/02/18/60/450021860.db2.gz CMUBNDQMNSFRKO-LLVKDONJSA-N 1 2 343.380 1.497 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595383853 450098186 /nfs/dbraw/zinc/09/81/86/450098186.db2.gz PIRXINNPKJWJBP-SNVBAGLBSA-N 1 2 338.389 1.930 20 5 EDBDLO Cc1nnc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)[nH]1 ZINC000609849108 450105370 /nfs/dbraw/zinc/10/53/70/450105370.db2.gz APXKCBMFNGJHMW-UHFFFAOYSA-N 1 2 330.392 1.648 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000610237951 450158519 /nfs/dbraw/zinc/15/85/19/450158519.db2.gz DBBFMGKMPOTOQX-CQSZACIVSA-N 1 2 333.388 1.840 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599704819 450167516 /nfs/dbraw/zinc/16/75/16/450167516.db2.gz UPQMLWLLBWHSMN-OAHLLOKOSA-N 1 2 348.403 1.832 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599704819 450167519 /nfs/dbraw/zinc/16/75/19/450167519.db2.gz UPQMLWLLBWHSMN-OAHLLOKOSA-N 1 2 348.403 1.832 20 5 EDBDLO O=[N+]([O-])c1ccc(OC2CN(c3cc(-n4cc[nH+]c4)ncn3)C2)cc1 ZINC000615721944 450211854 /nfs/dbraw/zinc/21/18/54/450211854.db2.gz MAQFJFMDGRMCHF-UHFFFAOYSA-N 1 2 338.327 1.838 20 5 EDBDLO CCOC(=O)c1ccnc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000610909527 450379085 /nfs/dbraw/zinc/37/90/85/450379085.db2.gz ZZCFUNSRNAHACX-PWSUYJOCSA-N 1 2 338.364 1.298 20 5 EDBDLO CCOC(=O)c1ccnc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000610909527 450379088 /nfs/dbraw/zinc/37/90/88/450379088.db2.gz ZZCFUNSRNAHACX-PWSUYJOCSA-N 1 2 338.364 1.298 20 5 EDBDLO O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000078740025 487141640 /nfs/dbraw/zinc/14/16/40/487141640.db2.gz FXRVACMACDRRMZ-INIZCTEOSA-N 1 2 339.395 1.243 20 5 EDBDLO O=C(NCCOC(=O)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000282818996 518199706 /nfs/dbraw/zinc/19/97/06/518199706.db2.gz CDROGQBJJJCDBW-UHFFFAOYSA-N 1 2 344.327 1.464 20 5 EDBDLO CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000345222247 536785348 /nfs/dbraw/zinc/78/53/48/536785348.db2.gz SCJKNVBHBLKZBO-STQMWFEESA-N 1 2 346.343 1.002 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000725720231 578278044 /nfs/dbraw/zinc/27/80/44/578278044.db2.gz HSHXBCXYJJEINQ-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000725720231 578278045 /nfs/dbraw/zinc/27/80/45/578278045.db2.gz HSHXBCXYJJEINQ-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]([C@H](C)NC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000729647416 578586403 /nfs/dbraw/zinc/58/64/03/578586403.db2.gz OMBNVHOQAFOJDD-NWDGAFQWSA-N 1 2 338.433 1.990 20 5 EDBDLO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732050221 578688559 /nfs/dbraw/zinc/68/85/59/578688559.db2.gz NTVSHEBXFIEWKX-CQSZACIVSA-N 1 2 347.419 1.145 20 5 EDBDLO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732050221 578688561 /nfs/dbraw/zinc/68/85/61/578688561.db2.gz NTVSHEBXFIEWKX-CQSZACIVSA-N 1 2 347.419 1.145 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Br ZINC000749797344 579740255 /nfs/dbraw/zinc/74/02/55/579740255.db2.gz JTQRPEXRLYAOSH-ZJUUUORDSA-N 1 2 345.197 1.870 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Br ZINC000749797344 579740256 /nfs/dbraw/zinc/74/02/56/579740256.db2.gz JTQRPEXRLYAOSH-ZJUUUORDSA-N 1 2 345.197 1.870 20 5 EDBDLO COc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000753893849 579890489 /nfs/dbraw/zinc/89/04/89/579890489.db2.gz BMCZWTSTROHRAX-BETUJISGSA-N 1 2 336.344 1.623 20 5 EDBDLO COc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000753893849 579890490 /nfs/dbraw/zinc/89/04/90/579890490.db2.gz BMCZWTSTROHRAX-BETUJISGSA-N 1 2 336.344 1.623 20 5 EDBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)S1 ZINC000762220827 580070004 /nfs/dbraw/zinc/07/00/04/580070004.db2.gz CCCSMELKZSOHMH-UHFFFAOYSA-N 1 2 349.416 1.629 20 5 EDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000763205804 580095076 /nfs/dbraw/zinc/09/50/76/580095076.db2.gz RABOMKYAJURUIJ-AWEZNQCLSA-N 1 2 333.388 1.956 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4nnc[nH]4)CC3)nc2c1 ZINC000769727407 580243717 /nfs/dbraw/zinc/24/37/17/580243717.db2.gz GXBQGLLKJLDQFC-UHFFFAOYSA-N 1 2 327.348 1.969 20 5 EDBDLO O=C(NCC[NH+]1CCSCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778273672 580460527 /nfs/dbraw/zinc/46/05/27/580460527.db2.gz RZOHNVANOSWJHW-UHFFFAOYSA-N 1 2 345.371 1.852 20 5 EDBDLO COC1(C)CC[NH+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000774639323 580368485 /nfs/dbraw/zinc/36/84/85/580368485.db2.gz KAZRLDRWRUQSEC-UHFFFAOYSA-N 1 2 333.344 1.649 20 5 EDBDLO Cn1ccnc1CN1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276605 580413633 /nfs/dbraw/zinc/41/36/33/580413633.db2.gz KDCFBGDPWYAITI-MRXNPFEDSA-N 1 2 345.403 1.180 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000776593319 580423291 /nfs/dbraw/zinc/42/32/91/580423291.db2.gz GWXSDNGJNIPFQZ-GOSISDBHSA-N 1 2 342.399 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000776593319 580423292 /nfs/dbraw/zinc/42/32/92/580423292.db2.gz GWXSDNGJNIPFQZ-GOSISDBHSA-N 1 2 342.399 1.841 20 5 EDBDLO CCOC(=O)c1cnn(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000782861821 580586436 /nfs/dbraw/zinc/58/64/36/580586436.db2.gz OAEKFVAKQHOJMJ-UHFFFAOYSA-N 1 2 348.363 1.459 20 5 EDBDLO C[C@@H](O)C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000785989145 580657697 /nfs/dbraw/zinc/65/76/97/580657697.db2.gz SLCQRKXHWNDPJP-NXEZZACHSA-N 1 2 347.209 1.921 20 5 EDBDLO C[C@@H](O)C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000785989145 580657698 /nfs/dbraw/zinc/65/76/98/580657698.db2.gz SLCQRKXHWNDPJP-NXEZZACHSA-N 1 2 347.209 1.921 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000787248782 580690729 /nfs/dbraw/zinc/69/07/29/580690729.db2.gz ZEDNJNZQNLDMMX-MWLCHTKSSA-N 1 2 335.316 1.344 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000787248782 580690730 /nfs/dbraw/zinc/69/07/30/580690730.db2.gz ZEDNJNZQNLDMMX-MWLCHTKSSA-N 1 2 335.316 1.344 20 5 EDBDLO C[C@@H]1CCSCC[N@@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000790476760 580771351 /nfs/dbraw/zinc/77/13/51/580771351.db2.gz GJBKBVNZFKFLRA-SNVBAGLBSA-N 1 2 335.385 1.976 20 5 EDBDLO C[C@@H]1CCSCC[N@H+]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000790476760 580771352 /nfs/dbraw/zinc/77/13/52/580771352.db2.gz GJBKBVNZFKFLRA-SNVBAGLBSA-N 1 2 335.385 1.976 20 5 EDBDLO COc1cc(C(=O)O[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000791694146 580799638 /nfs/dbraw/zinc/79/96/38/580799638.db2.gz SAHWGGUVPJPPKW-LLVKDONJSA-N 1 2 338.360 1.789 20 5 EDBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794616933 580899812 /nfs/dbraw/zinc/89/98/12/580899812.db2.gz RELKXWAIYNHMKE-LLVKDONJSA-N 1 2 349.343 1.735 20 5 EDBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794616933 580899813 /nfs/dbraw/zinc/89/98/13/580899813.db2.gz RELKXWAIYNHMKE-LLVKDONJSA-N 1 2 349.343 1.735 20 5 EDBDLO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795658877 580933159 /nfs/dbraw/zinc/93/31/59/580933159.db2.gz VLFIHDBJCIKIIQ-SNVBAGLBSA-N 1 2 349.313 1.529 20 5 EDBDLO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795658877 580933160 /nfs/dbraw/zinc/93/31/60/580933160.db2.gz VLFIHDBJCIKIIQ-SNVBAGLBSA-N 1 2 349.313 1.529 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCO1 ZINC000800157807 581045459 /nfs/dbraw/zinc/04/54/59/581045459.db2.gz KCPCRJPIVNRNOO-VIFPVBQESA-N 1 2 330.287 1.751 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCO1 ZINC000800157807 581045460 /nfs/dbraw/zinc/04/54/60/581045460.db2.gz KCPCRJPIVNRNOO-VIFPVBQESA-N 1 2 330.287 1.751 20 5 EDBDLO CCCc1[nH]nc(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000800224964 581048273 /nfs/dbraw/zinc/04/82/73/581048273.db2.gz 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CCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000903013079 592101759 /nfs/dbraw/zinc/10/17/59/592101759.db2.gz ZRBSJGWFPXDBHV-UHFFFAOYSA-N 1 2 345.396 1.638 20 5 EDBDLO Cc1cc(C[NH+]2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)on1 ZINC000028743528 593043672 /nfs/dbraw/zinc/04/36/72/593043672.db2.gz KVQASDBBULUGBA-UHFFFAOYSA-N 1 2 342.359 1.861 20 5 EDBDLO CSc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000912517815 593102069 /nfs/dbraw/zinc/10/20/69/593102069.db2.gz UHXQHUORPHGNNB-UHFFFAOYSA-N 1 2 326.374 1.806 20 5 EDBDLO O=C(OCCC1OCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102910 593125131 /nfs/dbraw/zinc/12/51/31/593125131.db2.gz ZXMKYXQNPMOJPI-UHFFFAOYSA-N 1 2 333.300 1.700 20 5 EDBDLO CCOC(=O)c1cnn(C2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000840106245 593186453 /nfs/dbraw/zinc/18/64/53/593186453.db2.gz BIWFJZLJYFYEGR-UHFFFAOYSA-N 1 2 348.363 1.459 20 5 EDBDLO CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000840129002 593222520 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O=C(N[C@H]1CCn2cc[nH+]c21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000833292410 594821464 /nfs/dbraw/zinc/82/14/64/594821464.db2.gz FXDWNIJWXVDTAC-NSHDSACASA-N 1 2 330.300 1.437 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000836866306 595007020 /nfs/dbraw/zinc/00/70/20/595007020.db2.gz NTWRDXQVBQFZOL-PHIMTYICSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000836866306 595007023 /nfs/dbraw/zinc/00/70/23/595007023.db2.gz NTWRDXQVBQFZOL-PHIMTYICSA-N 1 2 339.779 1.841 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836867390 595007688 /nfs/dbraw/zinc/00/76/88/595007688.db2.gz XZDJVZJJHQPAJQ-ALTADZDJSA-N 1 2 345.399 1.978 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836867390 595007691 /nfs/dbraw/zinc/00/76/91/595007691.db2.gz XZDJVZJJHQPAJQ-ALTADZDJSA-N 1 2 345.399 1.978 20 5 EDBDLO 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Cc1sc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000125669494 138335467 /nfs/dbraw/zinc/33/54/67/138335467.db2.gz GYSHJCLIMHYESC-UHFFFAOYSA-N 1 2 344.418 1.872 20 5 EDBDLO NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282736 283344187 /nfs/dbraw/zinc/34/41/87/283344187.db2.gz DJBIEWURZYEHED-HNNXBMFYSA-N 1 2 347.350 1.794 20 5 EDBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111352688 220143568 /nfs/dbraw/zinc/14/35/68/220143568.db2.gz XNRYYFBQGLUXHP-JTQLQIEISA-N 1 2 333.435 1.809 20 5 EDBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111352688 220143573 /nfs/dbraw/zinc/14/35/73/220143573.db2.gz XNRYYFBQGLUXHP-JTQLQIEISA-N 1 2 333.435 1.809 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C(N)=O)O1 ZINC000092006740 218102607 /nfs/dbraw/zinc/10/26/07/218102607.db2.gz DQUMWFXPOIWTCN-BZNIZROVSA-N 1 2 345.355 1.929 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C(N)=O)O1 ZINC000092006740 218102608 /nfs/dbraw/zinc/10/26/08/218102608.db2.gz DQUMWFXPOIWTCN-BZNIZROVSA-N 1 2 345.355 1.929 20 5 EDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152748176 224007231 /nfs/dbraw/zinc/00/72/31/224007231.db2.gz CKAFTWHRZXYQFS-AWEZNQCLSA-N 1 2 326.356 1.927 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cn2c([nH+]1)CCCC2 ZINC000263871764 139366137 /nfs/dbraw/zinc/36/61/37/139366137.db2.gz UELZCEKYUAIQIT-UHFFFAOYSA-N 1 2 348.334 1.962 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495778732 255324626 /nfs/dbraw/zinc/32/46/26/255324626.db2.gz ZCGRXDJGUDXUJN-HNNXBMFYSA-N 1 2 339.396 1.986 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495778732 255324627 /nfs/dbraw/zinc/32/46/27/255324627.db2.gz ZCGRXDJGUDXUJN-HNNXBMFYSA-N 1 2 339.396 1.986 20 5 EDBDLO CC(=O)N1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000117333333 221053435 /nfs/dbraw/zinc/05/34/35/221053435.db2.gz JERPLBQJFHZHLE-UHFFFAOYSA-N 1 2 348.359 1.057 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117756565 221086619 /nfs/dbraw/zinc/08/66/19/221086619.db2.gz BSTUMYOOCDZMJQ-LLVKDONJSA-N 1 2 341.795 1.628 20 5 EDBDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000344359478 285306300 /nfs/dbraw/zinc/30/63/00/285306300.db2.gz GHQMLSFOXKOOQF-NWDGAFQWSA-N 1 2 328.340 1.978 20 5 EDBDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000344359478 285306306 /nfs/dbraw/zinc/30/63/06/285306306.db2.gz GHQMLSFOXKOOQF-NWDGAFQWSA-N 1 2 328.340 1.978 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNc2c([N+](=O)[O-])ncn2C)nc[nH+]1 ZINC000264296581 139394643 /nfs/dbraw/zinc/39/46/43/139394643.db2.gz CMKUDACXQPULCY-SNVBAGLBSA-N 1 2 332.368 1.241 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNc2c([N+](=O)[O-])ncn2C)[nH+]cn1 ZINC000264296581 139394644 /nfs/dbraw/zinc/39/46/44/139394644.db2.gz CMKUDACXQPULCY-SNVBAGLBSA-N 1 2 332.368 1.241 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270660780 140142890 /nfs/dbraw/zinc/14/28/90/140142890.db2.gz QNIDXQXQKNBSQT-ONGXEEELSA-N 1 2 346.347 1.448 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270660780 140142892 /nfs/dbraw/zinc/14/28/92/140142892.db2.gz QNIDXQXQKNBSQT-ONGXEEELSA-N 1 2 346.347 1.448 20 5 EDBDLO O=C1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1 ZINC000271300924 140273712 /nfs/dbraw/zinc/27/37/12/140273712.db2.gz BZPNPXWLSOFODE-UHFFFAOYSA-N 1 2 344.318 1.430 20 5 EDBDLO O=C1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1 ZINC000271300924 140273714 /nfs/dbraw/zinc/27/37/14/140273714.db2.gz BZPNPXWLSOFODE-UHFFFAOYSA-N 1 2 344.318 1.430 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000344859978 143020616 /nfs/dbraw/zinc/02/06/16/143020616.db2.gz CCGJQJRKYJUZPN-VXGBXAGGSA-N 1 2 342.323 1.051 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](F)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000344859978 143020617 /nfs/dbraw/zinc/02/06/17/143020617.db2.gz CCGJQJRKYJUZPN-VXGBXAGGSA-N 1 2 342.323 1.051 20 5 EDBDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000345393730 143085884 /nfs/dbraw/zinc/08/58/84/143085884.db2.gz UERMFSXJROHFQD-GHMZBOCLSA-N 1 2 327.406 1.838 20 5 EDBDLO Cc1cc(NC[C@@H](O)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000346435980 143204401 /nfs/dbraw/zinc/20/44/01/143204401.db2.gz WMHUYSYXIQGSOB-UKRRQHHQSA-N 1 2 344.371 1.591 20 5 EDBDLO Cc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000352805643 149174529 /nfs/dbraw/zinc/17/45/29/149174529.db2.gz XLYNKIIGDFHWKS-GFCCVEGCSA-N 1 2 339.396 1.103 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000353388387 149388646 /nfs/dbraw/zinc/38/86/46/149388646.db2.gz QTXYQODEAWWVQO-DUVNUKRYSA-N 1 2 328.372 1.944 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000354910638 150026596 /nfs/dbraw/zinc/02/65/96/150026596.db2.gz MIJZUIKWIZRYKC-LBPRGKRZSA-N 1 2 335.360 1.210 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000354910638 150026600 /nfs/dbraw/zinc/02/66/00/150026600.db2.gz MIJZUIKWIZRYKC-LBPRGKRZSA-N 1 2 335.360 1.210 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000355773338 150395492 /nfs/dbraw/zinc/39/54/92/150395492.db2.gz ROERFYWLJBCZGX-BETUJISGSA-N 1 2 336.344 1.510 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000355773338 150395494 /nfs/dbraw/zinc/39/54/94/150395494.db2.gz ROERFYWLJBCZGX-BETUJISGSA-N 1 2 336.344 1.510 20 5 EDBDLO Cn1c(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000357801622 151155306 /nfs/dbraw/zinc/15/53/06/151155306.db2.gz GMEQFHGNRZLHMR-LBPRGKRZSA-N 1 2 344.375 1.070 20 5 EDBDLO Cn1c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000357801622 151155307 /nfs/dbraw/zinc/15/53/07/151155307.db2.gz 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CC(=O)NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361268966 152350063 /nfs/dbraw/zinc/35/00/63/152350063.db2.gz YGLVTGUQBMZDBW-GFCCVEGCSA-N 1 2 331.376 1.819 20 5 EDBDLO CCc1n[nH]c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000363512593 152987936 /nfs/dbraw/zinc/98/79/36/152987936.db2.gz XGOMLVQZEOELMZ-UHFFFAOYSA-N 1 2 332.364 1.386 20 5 EDBDLO COC(=O)c1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000364049683 153132177 /nfs/dbraw/zinc/13/21/77/153132177.db2.gz XJADPNNODNQSKG-SNVBAGLBSA-N 1 2 329.259 1.317 20 5 EDBDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CCN2C1=O ZINC000364826811 153344470 /nfs/dbraw/zinc/34/44/70/153344470.db2.gz NSBNMFXRFBCEBD-ZDUSSCGKSA-N 1 2 336.323 1.202 20 5 EDBDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CCN2C1=O ZINC000364826811 153344471 /nfs/dbraw/zinc/34/44/71/153344471.db2.gz NSBNMFXRFBCEBD-ZDUSSCGKSA-N 1 2 336.323 1.202 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 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CC[N@H+](Cc1cnn(C)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379003 287244956 /nfs/dbraw/zinc/24/49/56/287244956.db2.gz USZUXDSDGBZVLN-MRXNPFEDSA-N 1 2 343.387 1.956 20 5 EDBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379003 287244959 /nfs/dbraw/zinc/24/49/59/287244959.db2.gz USZUXDSDGBZVLN-MRXNPFEDSA-N 1 2 343.387 1.956 20 5 EDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000158961406 225116401 /nfs/dbraw/zinc/11/64/01/225116401.db2.gz SMVWJHUBJUFIAH-UHFFFAOYSA-N 1 2 339.417 1.247 20 5 EDBDLO CC[N@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000028484431 267380621 /nfs/dbraw/zinc/38/06/21/267380621.db2.gz BMEHWTVWRINYTB-UHFFFAOYSA-N 1 2 331.376 1.824 20 5 EDBDLO CC[N@@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000028484431 267380625 /nfs/dbraw/zinc/38/06/25/267380625.db2.gz BMEHWTVWRINYTB-UHFFFAOYSA-N 1 2 331.376 1.824 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000273474253 268046924 /nfs/dbraw/zinc/04/69/24/268046924.db2.gz PFQDRUYVYOEGJY-WDEREUQCSA-N 1 2 340.355 1.965 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274234658 268115774 /nfs/dbraw/zinc/11/57/74/268115774.db2.gz UXEBZGNTDMMQJT-UHFFFAOYSA-N 1 2 344.389 1.334 20 5 EDBDLO COc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000274454567 273091563 /nfs/dbraw/zinc/09/15/63/273091563.db2.gz TUFVXPWGFGOUMR-MRXNPFEDSA-N 1 2 338.360 1.603 20 5 EDBDLO COc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000274454567 273091564 /nfs/dbraw/zinc/09/15/64/273091564.db2.gz TUFVXPWGFGOUMR-MRXNPFEDSA-N 1 2 338.360 1.603 20 5 EDBDLO CCc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284247563 274132575 /nfs/dbraw/zinc/13/25/75/274132575.db2.gz WTUYIEKCBTXKNN-CVEARBPZSA-N 1 2 333.388 1.702 20 5 EDBDLO CCc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284247563 274132577 /nfs/dbraw/zinc/13/25/77/274132577.db2.gz WTUYIEKCBTXKNN-CVEARBPZSA-N 1 2 333.388 1.702 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284377840 274180831 /nfs/dbraw/zinc/18/08/31/274180831.db2.gz FTVVNENPYNJCPU-JKSUJKDBSA-N 1 2 348.403 1.206 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284377840 274180833 /nfs/dbraw/zinc/18/08/33/274180833.db2.gz FTVVNENPYNJCPU-JKSUJKDBSA-N 1 2 348.403 1.206 20 5 EDBDLO CN1C(=O)N[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1=O ZINC000369224028 277018846 /nfs/dbraw/zinc/01/88/46/277018846.db2.gz DKTWQXYDFJWPND-AWEZNQCLSA-N 1 2 338.751 1.374 20 5 EDBDLO CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1=O ZINC000369224028 277018847 /nfs/dbraw/zinc/01/88/47/277018847.db2.gz DKTWQXYDFJWPND-AWEZNQCLSA-N 1 2 338.751 1.374 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000356794065 278091954 /nfs/dbraw/zinc/09/19/54/278091954.db2.gz MOXIADJBHLCMME-WDEREUQCSA-N 1 2 327.406 1.527 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000356794065 278091957 /nfs/dbraw/zinc/09/19/57/278091957.db2.gz MOXIADJBHLCMME-WDEREUQCSA-N 1 2 327.406 1.527 20 5 EDBDLO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000287438624 288238560 /nfs/dbraw/zinc/23/85/60/288238560.db2.gz QZDKNWYMXSSZOO-CHWSQXEVSA-N 1 2 348.403 1.421 20 5 EDBDLO Cc1cc(N)nc(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000288813942 288573206 /nfs/dbraw/zinc/57/32/06/288573206.db2.gz MPVONBACUMRTLK-LLVKDONJSA-N 1 2 336.373 1.807 20 5 EDBDLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000289841987 288789040 /nfs/dbraw/zinc/78/90/40/288789040.db2.gz PWRRBSUGETZRKD-IUIKQTSFSA-N 1 2 347.375 1.623 20 5 EDBDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000291640505 289135076 /nfs/dbraw/zinc/13/50/76/289135076.db2.gz DRCMNDGCJDALSP-AWEZNQCLSA-N 1 2 342.417 1.868 20 5 EDBDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000291640505 289135078 /nfs/dbraw/zinc/13/50/78/289135078.db2.gz DRCMNDGCJDALSP-AWEZNQCLSA-N 1 2 342.417 1.868 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291666519 289143088 /nfs/dbraw/zinc/14/30/88/289143088.db2.gz GCLXDAUINBTBNJ-LLVKDONJSA-N 1 2 343.330 1.791 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291666519 289143090 /nfs/dbraw/zinc/14/30/90/289143090.db2.gz GCLXDAUINBTBNJ-LLVKDONJSA-N 1 2 343.330 1.791 20 5 EDBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000292221196 289292277 /nfs/dbraw/zinc/29/22/77/289292277.db2.gz VBFKDHMDRJFAJW-MWLCHTKSSA-N 1 2 349.313 1.323 20 5 EDBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000292221196 289292280 /nfs/dbraw/zinc/29/22/80/289292280.db2.gz VBFKDHMDRJFAJW-MWLCHTKSSA-N 1 2 349.313 1.323 20 5 EDBDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492256696 295286382 /nfs/dbraw/zinc/28/63/82/295286382.db2.gz IBLLSZHIGDFXFZ-VIFPVBQESA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492256696 295286383 /nfs/dbraw/zinc/28/63/83/295286383.db2.gz IBLLSZHIGDFXFZ-VIFPVBQESA-N 1 2 333.797 1.501 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)S1 ZINC000301595335 303685735 /nfs/dbraw/zinc/68/57/35/303685735.db2.gz RVHJDHFEZMQQHS-SNVBAGLBSA-N 1 2 349.416 1.307 20 5 EDBDLO Cn1ncc2c1nc(NCCNc1ccccc1[N+](=O)[O-])[nH+]c2N ZINC000302606816 303727385 /nfs/dbraw/zinc/72/73/85/303727385.db2.gz ZRLBKAGWIKELJY-UHFFFAOYSA-N 1 2 328.336 1.378 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000432891647 305097151 /nfs/dbraw/zinc/09/71/51/305097151.db2.gz GCGYCAPLUPXYEW-ZWNOBZJWSA-N 1 2 333.348 1.317 20 5 EDBDLO Cc1nc([C@](C)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)no1 ZINC000433313919 305105540 /nfs/dbraw/zinc/10/55/40/305105540.db2.gz XKQOLRBNTGSSJQ-OAHLLOKOSA-N 1 2 333.348 1.363 20 5 EDBDLO Cc1cc(NCCc2ncn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000436358618 305156183 /nfs/dbraw/zinc/15/61/83/305156183.db2.gz GHLOTOZUUAHIGX-UHFFFAOYSA-N 1 2 339.359 1.565 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCc3cncnc3C2)c([N+](=O)[O-])c1 ZINC000441496427 305222534 /nfs/dbraw/zinc/22/25/34/305222534.db2.gz DOFBNDZOZXXRIX-UHFFFAOYSA-N 1 2 330.344 1.831 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCc3cncnc3C2)c([N+](=O)[O-])c1 ZINC000441496427 305222535 /nfs/dbraw/zinc/22/25/35/305222535.db2.gz DOFBNDZOZXXRIX-UHFFFAOYSA-N 1 2 330.344 1.831 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449655405 305316340 /nfs/dbraw/zinc/31/63/40/305316340.db2.gz YYTCGWHWNRVQEV-VIFPVBQESA-N 1 2 329.303 1.578 20 5 EDBDLO O=C(NC[C@H]1CCCC(=O)N1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451293238 305336844 /nfs/dbraw/zinc/33/68/44/305336844.db2.gz ATLXEDAMFSBYKI-GFCCVEGCSA-N 1 2 343.343 1.179 20 5 EDBDLO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2[nH+]ccn21 ZINC000456403295 305462497 /nfs/dbraw/zinc/46/24/97/305462497.db2.gz FNKZAOALBCGHGU-SCZZXKLOSA-N 1 2 330.300 1.956 20 5 EDBDLO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000535835748 306018218 /nfs/dbraw/zinc/01/82/18/306018218.db2.gz NITNMTMETIDIQZ-NSHDSACASA-N 1 2 325.365 1.123 20 5 EDBDLO COC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000544520601 306075776 /nfs/dbraw/zinc/07/57/76/306075776.db2.gz WATXKQCWMPUDLJ-HNNXBMFYSA-N 1 2 337.376 1.468 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458472002 447379592 /nfs/dbraw/zinc/37/95/92/447379592.db2.gz LGWMOALFMXBYRM-GASCZTMLSA-N 1 2 348.403 1.300 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458472002 447379598 /nfs/dbraw/zinc/37/95/98/447379598.db2.gz LGWMOALFMXBYRM-GASCZTMLSA-N 1 2 348.403 1.300 20 5 EDBDLO O=C(NC[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450033971 447424400 /nfs/dbraw/zinc/42/44/00/447424400.db2.gz UDVFXIYARMOUJO-HNNXBMFYSA-N 1 2 348.384 1.378 20 5 EDBDLO CC(C)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000046228875 441093415 /nfs/dbraw/zinc/09/34/15/441093415.db2.gz NQXKATWMXUKPML-UHFFFAOYSA-N 1 2 341.433 1.776 20 5 EDBDLO Cc1ccc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000080636867 441185583 /nfs/dbraw/zinc/18/55/83/441185583.db2.gz NGHMHFGEGWZLFJ-UHFFFAOYSA-N 1 2 341.433 1.824 20 5 EDBDLO CCC1(O)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000072724432 441255218 /nfs/dbraw/zinc/25/52/18/441255218.db2.gz CBAMVPMCTMPEIY-UHFFFAOYSA-N 1 2 337.376 1.779 20 5 EDBDLO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000048297782 441289000 /nfs/dbraw/zinc/28/90/00/441289000.db2.gz CLNOOHGMJGQWAI-UHFFFAOYSA-N 1 2 340.355 1.157 20 5 EDBDLO O=C(CN1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000073605336 441332541 /nfs/dbraw/zinc/33/25/41/441332541.db2.gz CWTMLBAIUIJUPL-UHFFFAOYSA-N 1 2 346.431 1.725 20 5 EDBDLO O=C(CN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000073605336 441332546 /nfs/dbraw/zinc/33/25/46/441332546.db2.gz CWTMLBAIUIJUPL-UHFFFAOYSA-N 1 2 346.431 1.725 20 5 EDBDLO CN(C)c1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000023618941 441297273 /nfs/dbraw/zinc/29/72/73/441297273.db2.gz SJCGVUKIZXVWGP-UHFFFAOYSA-N 1 2 337.361 1.447 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000083975775 441378804 /nfs/dbraw/zinc/37/88/04/441378804.db2.gz JOQIBYWUJKFGOY-UHFFFAOYSA-N 1 2 347.824 1.883 20 5 EDBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000051381945 441409398 /nfs/dbraw/zinc/40/93/98/441409398.db2.gz XOBLVTOZZWXGAG-UHFFFAOYSA-N 1 2 332.404 1.648 20 5 EDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000113257938 441592901 /nfs/dbraw/zinc/59/29/01/441592901.db2.gz VITCFFOTFLYPPQ-RYUDHWBXSA-N 1 2 330.406 1.727 20 5 EDBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000113257938 441592903 /nfs/dbraw/zinc/59/29/03/441592903.db2.gz VITCFFOTFLYPPQ-RYUDHWBXSA-N 1 2 330.406 1.727 20 5 EDBDLO Nc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)ncc1[N+](=O)[O-] ZINC000076652588 441670451 /nfs/dbraw/zinc/67/04/51/441670451.db2.gz XFEIXLFIPDWNMS-UHFFFAOYSA-N 1 2 325.332 1.824 20 5 EDBDLO CCOC(=O)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175134580 442008905 /nfs/dbraw/zinc/00/89/05/442008905.db2.gz KJJVNEDEGGENHQ-LLVKDONJSA-N 1 2 346.343 1.710 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000125683076 442041195 /nfs/dbraw/zinc/04/11/95/442041195.db2.gz CZETVDMVRPEXDX-ZWNOBZJWSA-N 1 2 331.332 1.615 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000162389007 442089213 /nfs/dbraw/zinc/08/92/13/442089213.db2.gz ZTMXDSDCRBGNOE-NWDGAFQWSA-N 1 2 337.376 1.777 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000162389007 442089216 /nfs/dbraw/zinc/08/92/16/442089216.db2.gz ZTMXDSDCRBGNOE-NWDGAFQWSA-N 1 2 337.376 1.777 20 5 EDBDLO Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)[nH+]c12 ZINC000126702028 442136463 /nfs/dbraw/zinc/13/64/63/442136463.db2.gz IIMPXDKKKOJFIB-UHFFFAOYSA-N 1 2 327.300 1.582 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126981062 442158705 /nfs/dbraw/zinc/15/87/05/442158705.db2.gz VJJAAFTYMDWIEX-UHFFFAOYSA-N 1 2 346.387 1.409 20 5 EDBDLO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000152765376 442242266 /nfs/dbraw/zinc/24/22/66/442242266.db2.gz VFQVLENAZNZMQJ-RYUDHWBXSA-N 1 2 339.367 1.502 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000128894517 442294057 /nfs/dbraw/zinc/29/40/57/442294057.db2.gz GXTPUXZXEBGOLZ-UHFFFAOYSA-N 1 2 343.343 1.048 20 5 EDBDLO Nc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cc(F)cc1[N+](=O)[O-] ZINC000178066336 442405073 /nfs/dbraw/zinc/40/50/73/442405073.db2.gz GIKOVUMBIPUGEI-UHFFFAOYSA-N 1 2 329.291 1.894 20 5 EDBDLO CN(Cc1cnccn1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172162048 442417771 /nfs/dbraw/zinc/41/77/71/442417771.db2.gz KZCPDRCYUZUMFU-UHFFFAOYSA-N 1 2 338.327 1.843 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000133995631 442444769 /nfs/dbraw/zinc/44/47/69/442444769.db2.gz PUOTTWCSJZUUSX-UHFFFAOYSA-N 1 2 333.348 1.731 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000133995631 442444773 /nfs/dbraw/zinc/44/47/73/442444773.db2.gz PUOTTWCSJZUUSX-UHFFFAOYSA-N 1 2 333.348 1.731 20 5 EDBDLO Cc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000134549284 442494410 /nfs/dbraw/zinc/49/44/10/442494410.db2.gz HJKXUDYHZPKHMC-UHFFFAOYSA-N 1 2 338.389 1.811 20 5 EDBDLO CC[N@H+](CC(N)=O)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000191713822 442496574 /nfs/dbraw/zinc/49/65/74/442496574.db2.gz JBRPNBWAYBGHTO-UHFFFAOYSA-N 1 2 333.291 1.512 20 5 EDBDLO CC[N@@H+](CC(N)=O)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000191713822 442496581 /nfs/dbraw/zinc/49/65/81/442496581.db2.gz JBRPNBWAYBGHTO-UHFFFAOYSA-N 1 2 333.291 1.512 20 5 EDBDLO COCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156353875 442470807 /nfs/dbraw/zinc/47/08/07/442470807.db2.gz WSRDADBCFYPCCE-UHFFFAOYSA-N 1 2 331.756 1.127 20 5 EDBDLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156353875 442470812 /nfs/dbraw/zinc/47/08/12/442470812.db2.gz WSRDADBCFYPCCE-UHFFFAOYSA-N 1 2 331.756 1.127 20 5 EDBDLO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764424 442538068 /nfs/dbraw/zinc/53/80/68/442538068.db2.gz KQMQPAWJRSTNKD-ZDUSSCGKSA-N 1 2 344.371 1.623 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000186339208 442515038 /nfs/dbraw/zinc/51/50/38/442515038.db2.gz SFUKUCFCHPHZRP-OKFGHLOFSA-N 1 2 346.431 1.750 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157703325 442605702 /nfs/dbraw/zinc/60/57/02/442605702.db2.gz ARACCQRJJRPWKA-UHFFFAOYSA-N 1 2 336.392 1.546 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157703325 442605708 /nfs/dbraw/zinc/60/57/08/442605708.db2.gz ARACCQRJJRPWKA-UHFFFAOYSA-N 1 2 336.392 1.546 20 5 EDBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](c2ccccc2)C1 ZINC000180507418 442613636 /nfs/dbraw/zinc/61/36/36/442613636.db2.gz URSLQBWLISQXJN-OAHLLOKOSA-N 1 2 341.371 1.701 20 5 EDBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](c2ccccc2)C1 ZINC000180507418 442613639 /nfs/dbraw/zinc/61/36/39/442613639.db2.gz URSLQBWLISQXJN-OAHLLOKOSA-N 1 2 341.371 1.701 20 5 EDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187287517 442667181 /nfs/dbraw/zinc/66/71/81/442667181.db2.gz YGEASYCCNMKWGF-MRXNPFEDSA-N 1 2 333.388 1.712 20 5 EDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187287517 442667183 /nfs/dbraw/zinc/66/71/83/442667183.db2.gz YGEASYCCNMKWGF-MRXNPFEDSA-N 1 2 333.388 1.712 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000183116019 442882934 /nfs/dbraw/zinc/88/29/34/442882934.db2.gz WVXPOSCWFXTRBI-STQMWFEESA-N 1 2 341.433 1.930 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000183116019 442882936 /nfs/dbraw/zinc/88/29/36/442882936.db2.gz WVXPOSCWFXTRBI-STQMWFEESA-N 1 2 341.433 1.930 20 5 EDBDLO COCc1noc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000248458914 442894190 /nfs/dbraw/zinc/89/41/90/442894190.db2.gz NHAWGPKXAFWIDQ-GHMZBOCLSA-N 1 2 348.363 1.767 20 5 EDBDLO COCc1noc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000248458914 442894194 /nfs/dbraw/zinc/89/41/94/442894194.db2.gz NHAWGPKXAFWIDQ-GHMZBOCLSA-N 1 2 348.363 1.767 20 5 EDBDLO COc1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268248600 442916959 /nfs/dbraw/zinc/91/69/59/442916959.db2.gz JLNXYXAWHOYTBY-JTQLQIEISA-N 1 2 340.361 1.167 20 5 EDBDLO CCCN1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000189394147 442938504 /nfs/dbraw/zinc/93/85/04/442938504.db2.gz ILBAJXOJCYRNKP-UHFFFAOYSA-N 1 2 334.376 1.138 20 5 EDBDLO CCCN1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000189394147 442938508 /nfs/dbraw/zinc/93/85/08/442938508.db2.gz ILBAJXOJCYRNKP-UHFFFAOYSA-N 1 2 334.376 1.138 20 5 EDBDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248944571 442939464 /nfs/dbraw/zinc/93/94/64/442939464.db2.gz OOBPYMHEISYVHH-RISCZKNCSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248944571 442939467 /nfs/dbraw/zinc/93/94/67/442939467.db2.gz OOBPYMHEISYVHH-RISCZKNCSA-N 1 2 328.390 1.071 20 5 EDBDLO CCOC(=O)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194466919 318591101 /nfs/dbraw/zinc/59/11/01/318591101.db2.gz UCCVVEUSNRJCIB-UHFFFAOYSA-N 1 2 346.343 1.806 20 5 EDBDLO CC1(O)CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000268409314 442978371 /nfs/dbraw/zinc/97/83/71/442978371.db2.gz CWQQRZUVUXSOTK-UHFFFAOYSA-N 1 2 337.332 1.109 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249590399 442991944 /nfs/dbraw/zinc/99/19/44/442991944.db2.gz VFFGNGATBCHHDU-XHDPSFHLSA-N 1 2 337.376 1.635 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249590399 442991946 /nfs/dbraw/zinc/99/19/46/442991946.db2.gz VFFGNGATBCHHDU-XHDPSFHLSA-N 1 2 337.376 1.635 20 5 EDBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189954105 443036153 /nfs/dbraw/zinc/03/61/53/443036153.db2.gz LINVOZYMQTUIBV-UHFFFAOYSA-N 1 2 338.389 1.721 20 5 EDBDLO COc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000190538985 443131835 /nfs/dbraw/zinc/13/18/35/443131835.db2.gz WWLJTTIQYUFTIX-LLVKDONJSA-N 1 2 337.376 1.050 20 5 EDBDLO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000190538985 443131837 /nfs/dbraw/zinc/13/18/37/443131837.db2.gz WWLJTTIQYUFTIX-LLVKDONJSA-N 1 2 337.376 1.050 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000185089791 443133919 /nfs/dbraw/zinc/13/39/19/443133919.db2.gz RPDNSOPXGUIGOW-YPDDLIOESA-N 1 2 333.388 1.835 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185115541 443140824 /nfs/dbraw/zinc/14/08/24/443140824.db2.gz RTTNQIBAPCQCDH-DJNLSKAYSA-N 1 2 338.389 1.844 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185115541 443140828 /nfs/dbraw/zinc/14/08/28/443140828.db2.gz RTTNQIBAPCQCDH-DJNLSKAYSA-N 1 2 338.389 1.844 20 5 EDBDLO COCCN1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000190810390 443187691 /nfs/dbraw/zinc/18/76/91/443187691.db2.gz WETRENJLSUJWJI-UHFFFAOYSA-N 1 2 337.376 1.154 20 5 EDBDLO COCCN1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000190810390 443187695 /nfs/dbraw/zinc/18/76/95/443187695.db2.gz WETRENJLSUJWJI-UHFFFAOYSA-N 1 2 337.376 1.154 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000190894154 443206177 /nfs/dbraw/zinc/20/61/77/443206177.db2.gz UMBGBADLPBDNMF-ZJUUUORDSA-N 1 2 327.768 1.747 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000190894154 443206181 /nfs/dbraw/zinc/20/61/81/443206181.db2.gz UMBGBADLPBDNMF-ZJUUUORDSA-N 1 2 327.768 1.747 20 5 EDBDLO CC(C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000269155914 443215623 /nfs/dbraw/zinc/21/56/23/443215623.db2.gz UYBNXQLVQUIDMJ-HNNXBMFYSA-N 1 2 337.376 1.387 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000351225706 319097487 /nfs/dbraw/zinc/09/74/87/319097487.db2.gz ZWANKCLPXBUPLD-SNVBAGLBSA-N 1 2 334.336 1.466 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000351225706 319097490 /nfs/dbraw/zinc/09/74/90/319097490.db2.gz ZWANKCLPXBUPLD-SNVBAGLBSA-N 1 2 334.336 1.466 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000264513860 443312081 /nfs/dbraw/zinc/31/20/81/443312081.db2.gz YHMHFCCATSZNTL-UHFFFAOYSA-N 1 2 333.392 1.043 20 5 EDBDLO COc1cc(CCNC(=O)c2c[nH+]c(C)[nH]2)c([N+](=O)[O-])cc1OC ZINC000264690760 443376115 /nfs/dbraw/zinc/37/61/15/443376115.db2.gz AEODUMBUUDAYNJ-UHFFFAOYSA-N 1 2 334.332 1.616 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000264647838 443360175 /nfs/dbraw/zinc/36/01/75/443360175.db2.gz DMRADFXLFJAADA-UHFFFAOYSA-N 1 2 332.364 1.733 20 5 EDBDLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272941726 443496830 /nfs/dbraw/zinc/49/68/30/443496830.db2.gz NVTIULJLYKKVKQ-GXTWGEPZSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272941726 443496835 /nfs/dbraw/zinc/49/68/35/443496835.db2.gz NVTIULJLYKKVKQ-GXTWGEPZSA-N 1 2 338.360 1.362 20 5 EDBDLO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000267563661 443497877 /nfs/dbraw/zinc/49/78/77/443497877.db2.gz VKEWYBNHJVPABB-MNOVXSKESA-N 1 2 337.405 1.461 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000279374629 443568504 /nfs/dbraw/zinc/56/85/04/443568504.db2.gz SYPFEBBUDADVAM-CYBMUJFWSA-N 1 2 337.376 1.153 20 5 EDBDLO Cc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N(C)C)[nH+]1 ZINC000443884739 320114015 /nfs/dbraw/zinc/11/40/15/320114015.db2.gz YRQWGCOYBREKGJ-LLVKDONJSA-N 1 2 344.379 1.240 20 5 EDBDLO Cc1nc(N(C)C)nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000443884739 320114018 /nfs/dbraw/zinc/11/40/18/320114018.db2.gz YRQWGCOYBREKGJ-LLVKDONJSA-N 1 2 344.379 1.240 20 5 EDBDLO COc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000280285535 443690794 /nfs/dbraw/zinc/69/07/94/443690794.db2.gz ZDCZYQBMWXUGKN-OAHLLOKOSA-N 1 2 345.403 1.826 20 5 EDBDLO COc1ccc(C[N@H+]2CCN(C)[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000280285535 443690796 /nfs/dbraw/zinc/69/07/96/443690796.db2.gz ZDCZYQBMWXUGKN-OAHLLOKOSA-N 1 2 345.403 1.826 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000276390479 443696142 /nfs/dbraw/zinc/69/61/42/443696142.db2.gz UOZPSHRHWKTHAN-HZMBPMFUSA-N 1 2 345.359 1.561 20 5 EDBDLO COc1cc(CCNC(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OC ZINC000276704721 443797745 /nfs/dbraw/zinc/79/77/45/443797745.db2.gz YXANUHNNHJEUHE-UHFFFAOYSA-N 1 2 348.359 1.627 20 5 EDBDLO COc1cc(CCNC(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000276704721 443797746 /nfs/dbraw/zinc/79/77/46/443797746.db2.gz YXANUHNNHJEUHE-UHFFFAOYSA-N 1 2 348.359 1.627 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298732167 443852582 /nfs/dbraw/zinc/85/25/82/443852582.db2.gz JILIDCQFPBDCGI-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285718820 444083963 /nfs/dbraw/zinc/08/39/63/444083963.db2.gz IIASIFWNDJOGCR-JSGCOSHPSA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278090874 444092819 /nfs/dbraw/zinc/09/28/19/444092819.db2.gz PUCDBPDBWNLUSE-UHFFFAOYSA-N 1 2 334.376 1.890 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285869124 444135580 /nfs/dbraw/zinc/13/55/80/444135580.db2.gz IYBCPBWNOGNHAN-CJNGLKHVSA-N 1 2 335.404 1.898 20 5 EDBDLO CC(C)(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301097219 444144706 /nfs/dbraw/zinc/14/47/06/444144706.db2.gz WFJUZDBOSHDFBA-UHFFFAOYSA-N 1 2 347.375 1.125 20 5 EDBDLO CS(=O)(=O)c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301771835 444189731 /nfs/dbraw/zinc/18/97/31/444189731.db2.gz DSIBFOFGJIDFLS-ZDUSSCGKSA-N 1 2 339.417 1.673 20 5 EDBDLO CS(=O)(=O)c1cc(N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301771835 444189734 /nfs/dbraw/zinc/18/97/34/444189734.db2.gz DSIBFOFGJIDFLS-ZDUSSCGKSA-N 1 2 339.417 1.673 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)c1 ZINC000302115073 444204821 /nfs/dbraw/zinc/20/48/21/444204821.db2.gz VSSDQDXKMYISEU-NEPJUHHUSA-N 1 2 337.376 1.903 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)c1 ZINC000302115073 444204823 /nfs/dbraw/zinc/20/48/23/444204823.db2.gz VSSDQDXKMYISEU-NEPJUHHUSA-N 1 2 337.376 1.903 20 5 EDBDLO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331728845 444484597 /nfs/dbraw/zinc/48/45/97/444484597.db2.gz NWCOQCMOZBYNFJ-QGZVFWFLSA-N 1 2 349.387 1.250 20 5 EDBDLO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331728845 444484600 /nfs/dbraw/zinc/48/46/00/444484600.db2.gz NWCOQCMOZBYNFJ-QGZVFWFLSA-N 1 2 349.387 1.250 20 5 EDBDLO O=C(CC[N@@H+]1CCN(C2CC2)C(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337064906 444925481 /nfs/dbraw/zinc/92/54/81/444925481.db2.gz ZLKPVXQALOIHLW-UHFFFAOYSA-N 1 2 332.360 1.230 20 5 EDBDLO O=C(CC[N@H+]1CCN(C2CC2)C(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000337064906 444925484 /nfs/dbraw/zinc/92/54/84/444925484.db2.gz ZLKPVXQALOIHLW-UHFFFAOYSA-N 1 2 332.360 1.230 20 5 EDBDLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339102940 445034193 /nfs/dbraw/zinc/03/41/93/445034193.db2.gz ZMQRYOOTDBNPMO-MRXNPFEDSA-N 1 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Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC[N@H+]1CCNC(=O)C1 ZINC000362634163 445472345 /nfs/dbraw/zinc/47/23/45/445472345.db2.gz DEIJDOGQKJSGNA-UHFFFAOYSA-N 1 2 326.784 1.790 20 5 EDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCCCF)CC2)c1 ZINC000352113355 445501009 /nfs/dbraw/zinc/50/10/09/445501009.db2.gz HSFVFVAUBSQUSS-UHFFFAOYSA-N 1 2 345.396 1.651 20 5 EDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360129065 445583476 /nfs/dbraw/zinc/58/34/76/445583476.db2.gz BTUIFCJJTRXZCO-WCBMZHEXSA-N 1 2 331.419 1.417 20 5 EDBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360129065 445583480 /nfs/dbraw/zinc/58/34/80/445583480.db2.gz BTUIFCJJTRXZCO-WCBMZHEXSA-N 1 2 331.419 1.417 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356075787 445605468 /nfs/dbraw/zinc/60/54/68/445605468.db2.gz ZHTOXXGYLPFUCE-IAQYHMDHSA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000360303932 445686951 /nfs/dbraw/zinc/68/69/51/445686951.db2.gz JGSZSCLRWQHJPO-CYBMUJFWSA-N 1 2 337.376 1.315 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000360303932 445686953 /nfs/dbraw/zinc/68/69/53/445686953.db2.gz JGSZSCLRWQHJPO-CYBMUJFWSA-N 1 2 337.376 1.315 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360306023 445687592 /nfs/dbraw/zinc/68/75/92/445687592.db2.gz ZBQGZEKVKHHQKM-UHFFFAOYSA-N 1 2 344.327 1.675 20 5 EDBDLO COC[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000353674192 445703045 /nfs/dbraw/zinc/70/30/45/445703045.db2.gz SZLOQHJXFJMCEI-GJZGRUSLSA-N 1 2 334.376 1.669 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NCC(F)(F)CO)c1cccc([N+](=O)[O-])c1 ZINC000353685336 445706182 /nfs/dbraw/zinc/70/61/82/445706182.db2.gz UXTGEXGDRHTNQN-LBPRGKRZSA-N 1 2 326.303 1.635 20 5 EDBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000350903351 445947126 /nfs/dbraw/zinc/94/71/26/445947126.db2.gz TUUVXCIPTKVFFJ-UHFFFAOYSA-N 1 2 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ZINC000359534188 446279776 /nfs/dbraw/zinc/27/97/76/446279776.db2.gz YUUKWYSJKKCQNX-CYBMUJFWSA-N 1 2 348.359 1.562 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366756022 446336214 /nfs/dbraw/zinc/33/62/14/446336214.db2.gz JQDDLHHBWKYLTN-DZGCQCFKSA-N 1 2 335.360 1.083 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366756022 446336219 /nfs/dbraw/zinc/33/62/19/446336219.db2.gz JQDDLHHBWKYLTN-DZGCQCFKSA-N 1 2 335.360 1.083 20 5 EDBDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000370610737 446356845 /nfs/dbraw/zinc/35/68/45/446356845.db2.gz PSOXWOJNRBOQQK-HUUCEWRRSA-N 1 2 347.375 1.358 20 5 EDBDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000370610737 446356852 /nfs/dbraw/zinc/35/68/52/446356852.db2.gz PSOXWOJNRBOQQK-HUUCEWRRSA-N 1 2 347.375 1.358 20 5 EDBDLO O=C1CO[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2N1 ZINC000366805417 446360113 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1.109 20 5 EDBDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000375403783 446776506 /nfs/dbraw/zinc/77/65/06/446776506.db2.gz NRPWGKAHXPVNEC-LBPRGKRZSA-N 1 2 347.379 1.109 20 5 EDBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428896 446857071 /nfs/dbraw/zinc/85/70/71/446857071.db2.gz JNWSROGMAGZKLY-HOCLYGCPSA-N 1 2 346.387 1.905 20 5 EDBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428896 446857076 /nfs/dbraw/zinc/85/70/76/446857076.db2.gz JNWSROGMAGZKLY-HOCLYGCPSA-N 1 2 346.387 1.905 20 5 EDBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)O1 ZINC000372615968 447184645 /nfs/dbraw/zinc/18/46/45/447184645.db2.gz BOIVICGDRCXTRH-HNNXBMFYSA-N 1 2 332.316 1.810 20 5 EDBDLO O=C1NC[C@]2(CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)O1 ZINC000372615968 447184651 /nfs/dbraw/zinc/18/46/51/447184651.db2.gz BOIVICGDRCXTRH-HNNXBMFYSA-N 1 2 332.316 1.810 20 5 EDBDLO CNc1nc(C(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000455739910 447217584 /nfs/dbraw/zinc/21/75/84/447217584.db2.gz NIVIXYFPXPPWHG-UHFFFAOYSA-N 1 2 332.364 1.814 20 5 EDBDLO COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450508137 447510668 /nfs/dbraw/zinc/51/06/68/447510668.db2.gz YAYSXQCPJHAHMW-UHFFFAOYSA-N 1 2 330.300 1.216 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000450570619 447528664 /nfs/dbraw/zinc/52/86/64/447528664.db2.gz ZZQDXTDQSVYOHQ-WOSRLPQWSA-N 1 2 342.355 1.623 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451856067 447763995 /nfs/dbraw/zinc/76/39/95/447763995.db2.gz CMUPFFGSINBTSX-OLZOCXBDSA-N 1 2 346.387 1.537 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451856067 447763998 /nfs/dbraw/zinc/76/39/98/447763998.db2.gz CMUPFFGSINBTSX-OLZOCXBDSA-N 1 2 346.387 1.537 20 5 EDBDLO O=C1[C@H]([N@@H+]2CC[C@](O)(C(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451430271 447731262 /nfs/dbraw/zinc/73/12/62/447731262.db2.gz MGSBAIVWGHNGOO-IUODEOHRSA-N 1 2 341.314 1.402 20 5 EDBDLO O=C1[C@H]([N@H+]2CC[C@](O)(C(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451430271 447731269 /nfs/dbraw/zinc/73/12/69/447731269.db2.gz MGSBAIVWGHNGOO-IUODEOHRSA-N 1 2 341.314 1.402 20 5 EDBDLO COC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452035796 447806523 /nfs/dbraw/zinc/80/65/23/447806523.db2.gz HIYHWLBLMSOCTB-AWEZNQCLSA-N 1 2 342.417 1.869 20 5 EDBDLO COC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452035796 447806526 /nfs/dbraw/zinc/80/65/26/447806526.db2.gz HIYHWLBLMSOCTB-AWEZNQCLSA-N 1 2 342.417 1.869 20 5 EDBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000576043755 447957280 /nfs/dbraw/zinc/95/72/80/447957280.db2.gz ZEAQSXOQWDVIKY-GFCCVEGCSA-N 1 2 344.375 1.414 20 5 EDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505581984 448121624 /nfs/dbraw/zinc/12/16/24/448121624.db2.gz NNQVCTWQQBHFQD-UHFFFAOYSA-N 1 2 338.383 1.376 20 5 EDBDLO O=[N+]([O-])c1cccc(N2CCN(c3nc[nH+]c4c3OCCN4)CC2)c1 ZINC000591140010 448270748 /nfs/dbraw/zinc/27/07/48/448270748.db2.gz JNMLMGOCJDJUBR-UHFFFAOYSA-N 1 2 342.359 1.516 20 5 EDBDLO O=[N+]([O-])c1cccc(N2CCN(c3[nH+]cnc4c3OCCN4)CC2)c1 ZINC000591140010 448270752 /nfs/dbraw/zinc/27/07/52/448270752.db2.gz JNMLMGOCJDJUBR-UHFFFAOYSA-N 1 2 342.359 1.516 20 5 EDBDLO Nc1nc(SCc2[nH+]ccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000563438324 448302123 /nfs/dbraw/zinc/30/21/23/448302123.db2.gz FPSICNZGBJHFFX-UHFFFAOYSA-N 1 2 334.283 2.018 20 5 EDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000493127422 448371687 /nfs/dbraw/zinc/37/16/87/448371687.db2.gz RYPZNIOXXMEJDO-BLTNEMFESA-N 1 2 331.372 1.587 20 5 EDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000493127422 448371691 /nfs/dbraw/zinc/37/16/91/448371691.db2.gz RYPZNIOXXMEJDO-BLTNEMFESA-N 1 2 331.372 1.587 20 5 EDBDLO Cc1nc(N)c(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c[nH+]1 ZINC000584188185 448474253 /nfs/dbraw/zinc/47/42/53/448474253.db2.gz RNUSDPDOXSUWHI-UHFFFAOYSA-N 1 2 326.316 1.687 20 5 EDBDLO O=C1NCCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000517214718 448552960 /nfs/dbraw/zinc/55/29/60/448552960.db2.gz HDFLFDWOHSFSMH-UHFFFAOYSA-N 1 2 344.375 1.461 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000592038936 448642702 /nfs/dbraw/zinc/64/27/02/448642702.db2.gz MWQMYVOESNPSFU-GFCCVEGCSA-N 1 2 341.433 1.872 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000592038936 448642706 /nfs/dbraw/zinc/64/27/06/448642706.db2.gz MWQMYVOESNPSFU-GFCCVEGCSA-N 1 2 341.433 1.872 20 5 EDBDLO CCOc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587035960 448832968 /nfs/dbraw/zinc/83/29/68/448832968.db2.gz CEEVCCQBLGZHKZ-LBPRGKRZSA-N 1 2 330.344 1.935 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000587045608 448833026 /nfs/dbraw/zinc/83/30/26/448833026.db2.gz XOHJRACKQISRKS-JTQLQIEISA-N 1 2 346.343 1.553 20 5 EDBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000522274991 449072020 /nfs/dbraw/zinc/07/20/20/449072020.db2.gz KIXPMXILLQVAEZ-GFCCVEGCSA-N 1 2 348.403 1.620 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000522274991 449072025 /nfs/dbraw/zinc/07/20/25/449072025.db2.gz KIXPMXILLQVAEZ-GFCCVEGCSA-N 1 2 348.403 1.620 20 5 EDBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2[nH]c[nH+]c2C1 ZINC000590377684 449139908 /nfs/dbraw/zinc/13/99/08/449139908.db2.gz ROIJHIJKBAUVHR-UHFFFAOYSA-N 1 2 339.315 1.097 20 5 EDBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2[nH+]c[nH]c2C1 ZINC000590377684 449139910 /nfs/dbraw/zinc/13/99/10/449139910.db2.gz ROIJHIJKBAUVHR-UHFFFAOYSA-N 1 2 339.315 1.097 20 5 EDBDLO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401546 449149018 /nfs/dbraw/zinc/14/90/18/449149018.db2.gz MYQGYSYGFRJDDC-KBPBESRZSA-N 1 2 335.360 1.236 20 5 EDBDLO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401546 449149024 /nfs/dbraw/zinc/14/90/24/449149024.db2.gz MYQGYSYGFRJDDC-KBPBESRZSA-N 1 2 335.360 1.236 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)CO1 ZINC000597994136 449178819 /nfs/dbraw/zinc/17/88/19/449178819.db2.gz ASCBJFSRRFETMB-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)CO1 ZINC000597994136 449178824 /nfs/dbraw/zinc/17/88/24/449178824.db2.gz ASCBJFSRRFETMB-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597999391 449185695 /nfs/dbraw/zinc/18/56/95/449185695.db2.gz WFQKJOOPAFUTPK-OSRSDYAFSA-N 1 2 347.415 1.924 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597999391 449185699 /nfs/dbraw/zinc/18/56/99/449185699.db2.gz WFQKJOOPAFUTPK-OSRSDYAFSA-N 1 2 347.415 1.924 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000598000448 449186283 /nfs/dbraw/zinc/18/62/83/449186283.db2.gz UZMMFNGXQZAZPV-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000598000448 449186289 /nfs/dbraw/zinc/18/62/89/449186289.db2.gz UZMMFNGXQZAZPV-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611234731 449229678 /nfs/dbraw/zinc/22/96/78/449229678.db2.gz UCRJQNJMECJKEX-CYBMUJFWSA-N 1 2 341.433 1.493 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611234731 449229685 /nfs/dbraw/zinc/22/96/85/449229685.db2.gz UCRJQNJMECJKEX-CYBMUJFWSA-N 1 2 341.433 1.493 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611287492 449250877 /nfs/dbraw/zinc/25/08/77/449250877.db2.gz PNVVOFSTDBDMPY-RYWCDNDXSA-N 1 2 325.390 1.232 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611287492 449250880 /nfs/dbraw/zinc/25/08/80/449250880.db2.gz PNVVOFSTDBDMPY-RYWCDNDXSA-N 1 2 325.390 1.232 20 5 EDBDLO O=C(N[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590698147 449251415 /nfs/dbraw/zinc/25/14/15/449251415.db2.gz OJGHAMAMXZKNJC-CYBMUJFWSA-N 1 2 330.344 1.671 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973180 449254651 /nfs/dbraw/zinc/25/46/51/449254651.db2.gz IWHZSAQVOGJZAH-BETUJISGSA-N 1 2 328.328 1.499 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000600298893 449307114 /nfs/dbraw/zinc/30/71/14/449307114.db2.gz OGRZIJVOSFZCQO-GFCCVEGCSA-N 1 2 345.359 1.331 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000600298893 449307122 /nfs/dbraw/zinc/30/71/22/449307122.db2.gz OGRZIJVOSFZCQO-GFCCVEGCSA-N 1 2 345.359 1.331 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000600298893 449307127 /nfs/dbraw/zinc/30/71/27/449307127.db2.gz OGRZIJVOSFZCQO-GFCCVEGCSA-N 1 2 345.359 1.331 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000600298893 449307133 /nfs/dbraw/zinc/30/71/33/449307133.db2.gz OGRZIJVOSFZCQO-GFCCVEGCSA-N 1 2 345.359 1.331 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594099794 449354276 /nfs/dbraw/zinc/35/42/76/449354276.db2.gz UBYZJMJMAARAFA-UTUOFQBUSA-N 1 2 339.396 1.039 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594099794 449354282 /nfs/dbraw/zinc/35/42/82/449354282.db2.gz UBYZJMJMAARAFA-UTUOFQBUSA-N 1 2 339.396 1.039 20 5 EDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1[nH+]ccn1C ZINC000598459649 449406756 /nfs/dbraw/zinc/40/67/56/449406756.db2.gz KBFUXKXCKAJNRK-SECBINFHSA-N 1 2 332.316 1.591 20 5 EDBDLO CNc1nccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000594274337 449425738 /nfs/dbraw/zinc/42/57/38/449425738.db2.gz XWTBGNNHTMQMQU-LLVKDONJSA-N 1 2 330.348 1.705 20 5 EDBDLO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000598540514 449454826 /nfs/dbraw/zinc/45/48/26/449454826.db2.gz OQRPPBLGDFGDSZ-ZDUSSCGKSA-N 1 2 337.376 1.483 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000598605617 449488290 /nfs/dbraw/zinc/48/82/90/449488290.db2.gz GOQQKIWPKDUIJL-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000598605617 449488293 /nfs/dbraw/zinc/48/82/93/449488293.db2.gz GOQQKIWPKDUIJL-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO O=[N+]([O-])c1c(N2CCC[C@H]([NH+]3CCOCC3)C2)nc2sccn21 ZINC000596247414 449437312 /nfs/dbraw/zinc/43/73/12/449437312.db2.gz OJHBGTZINXUGIK-NSHDSACASA-N 1 2 337.405 1.605 20 5 EDBDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553255 449549645 /nfs/dbraw/zinc/54/96/45/449549645.db2.gz XMLCSYIIZMSNNU-INIZCTEOSA-N 1 2 342.403 1.613 20 5 EDBDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553255 449549648 /nfs/dbraw/zinc/54/96/48/449549648.db2.gz XMLCSYIIZMSNNU-INIZCTEOSA-N 1 2 342.403 1.613 20 5 EDBDLO Cc1ccc[nH+]c1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598633045 449508921 /nfs/dbraw/zinc/50/89/21/449508921.db2.gz ITERRPZKRBXHAM-UHFFFAOYSA-N 1 2 344.375 1.579 20 5 EDBDLO Cc1cc(N2CCn3nncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594588905 449585629 /nfs/dbraw/zinc/58/56/29/449585629.db2.gz FUHXBCGJHGHLMG-UHFFFAOYSA-N 1 2 337.343 1.972 20 5 EDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944712 449662955 /nfs/dbraw/zinc/66/29/55/449662955.db2.gz UAYJGPHICSRKKX-LLVKDONJSA-N 1 2 325.328 1.556 20 5 EDBDLO CN(C)C(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599023126 449702185 /nfs/dbraw/zinc/70/21/85/449702185.db2.gz RQGUAFARQUFFTR-UHFFFAOYSA-N 1 2 329.360 1.947 20 5 EDBDLO O=[N+]([O-])c1c(NCc2nnc3n2CCOC3)ccc2c[nH+]ccc21 ZINC000599078113 449719410 /nfs/dbraw/zinc/71/94/10/449719410.db2.gz GUJQQRAMIFJQLU-UHFFFAOYSA-N 1 2 326.316 1.877 20 5 EDBDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602665074 449738992 /nfs/dbraw/zinc/73/89/92/449738992.db2.gz YVIRXKOKCZPPFS-ZDUSSCGKSA-N 1 2 335.364 1.724 20 5 EDBDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602665074 449739001 /nfs/dbraw/zinc/73/90/01/449739001.db2.gz YVIRXKOKCZPPFS-ZDUSSCGKSA-N 1 2 335.364 1.724 20 5 EDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(CCc3cnccn3)CC2)c1 ZINC000602743587 449779340 /nfs/dbraw/zinc/77/93/40/449779340.db2.gz URRHCUCBYBKYHS-UHFFFAOYSA-N 1 2 327.388 1.745 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc1 ZINC000599184013 449784712 /nfs/dbraw/zinc/78/47/12/449784712.db2.gz VQDPSWFJXNKMHT-OAHLLOKOSA-N 1 2 329.360 1.698 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc1 ZINC000599184013 449784718 /nfs/dbraw/zinc/78/47/18/449784718.db2.gz VQDPSWFJXNKMHT-OAHLLOKOSA-N 1 2 329.360 1.698 20 5 EDBDLO CCn1nncc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000599116947 449746742 /nfs/dbraw/zinc/74/67/42/449746742.db2.gz UFXVCSFTQYTOSO-UHFFFAOYSA-N 1 2 346.391 1.651 20 5 EDBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)nc1 ZINC000601239811 449767975 /nfs/dbraw/zinc/76/79/75/449767975.db2.gz CMYFGTCGGKUCJX-UHFFFAOYSA-N 1 2 331.401 2.550 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000599161941 449770988 /nfs/dbraw/zinc/77/09/88/449770988.db2.gz YMVIWIBQQXQXAM-CQSZACIVSA-N 1 2 346.362 2.538 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000599161941 449770996 /nfs/dbraw/zinc/77/09/96/449770996.db2.gz YMVIWIBQQXQXAM-CQSZACIVSA-N 1 2 346.362 2.538 20 5 EDBDLO Cc1cnc(N2CC[NH+](CCc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000601253047 449775517 /nfs/dbraw/zinc/77/55/17/449775517.db2.gz BRYLJOINJRYSGS-UHFFFAOYSA-N 1 2 328.376 1.453 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602875819 449884832 /nfs/dbraw/zinc/88/48/32/449884832.db2.gz UWFCIAWQYFASQQ-UHFFFAOYSA-N 1 2 345.346 1.219 20 5 EDBDLO CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000601481618 450003888 /nfs/dbraw/zinc/00/38/88/450003888.db2.gz HOKJGYZPXHVZPS-LBPRGKRZSA-N 1 2 333.323 1.586 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1[N+](=O)[O-] ZINC000595296558 450009575 /nfs/dbraw/zinc/00/95/75/450009575.db2.gz KVSNAOCIMNFSKE-NSHDSACASA-N 1 2 346.409 1.185 20 5 EDBDLO Cc1noc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1[N+](=O)[O-] ZINC000595296558 450009581 /nfs/dbraw/zinc/00/95/81/450009581.db2.gz KVSNAOCIMNFSKE-NSHDSACASA-N 1 2 346.409 1.185 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595384912 450099580 /nfs/dbraw/zinc/09/95/80/450099580.db2.gz PPBAOWBXTWTIFS-GFCCVEGCSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595384912 450099584 /nfs/dbraw/zinc/09/95/84/450099584.db2.gz PPBAOWBXTWTIFS-GFCCVEGCSA-N 1 2 331.369 1.248 20 5 EDBDLO C[N@H+](CCO)Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603211948 450146175 /nfs/dbraw/zinc/14/61/75/450146175.db2.gz ACBUVHQDJHJQDZ-UHFFFAOYSA-N 1 2 325.756 1.312 20 5 EDBDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603211948 450146178 /nfs/dbraw/zinc/14/61/78/450146178.db2.gz ACBUVHQDJHJQDZ-UHFFFAOYSA-N 1 2 325.756 1.312 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(Cn2cc[nH+]c2CN2CCOCC2)c(F)c1 ZINC000603420291 450293200 /nfs/dbraw/zinc/29/32/00/450293200.db2.gz IVGAZWRMQYLFHD-UHFFFAOYSA-N 1 2 338.314 1.950 20 5 EDBDLO CS(=O)(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000610762900 450326231 /nfs/dbraw/zinc/32/62/31/450326231.db2.gz DFOWDBVQHRRCAG-UHFFFAOYSA-N 1 2 328.390 1.483 20 5 EDBDLO CCN1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000619801794 450338498 /nfs/dbraw/zinc/33/84/98/450338498.db2.gz OSTDCNMSPQXVCB-LBPRGKRZSA-N 1 2 343.343 1.131 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000619480390 450485379 /nfs/dbraw/zinc/48/53/79/450485379.db2.gz JBBVLGPVTQNCAW-UHFFFAOYSA-N 1 2 333.396 1.175 20 5 EDBDLO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000524790481 486871941 /nfs/dbraw/zinc/87/19/41/486871941.db2.gz UZWPFSMEUFAJKJ-JTQLQIEISA-N 1 2 331.369 1.354 20 5 EDBDLO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000524790481 486871942 /nfs/dbraw/zinc/87/19/42/486871942.db2.gz UZWPFSMEUFAJKJ-JTQLQIEISA-N 1 2 331.369 1.354 20 5 EDBDLO O=C(NCC[C@]1(O)CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593814376 491016038 /nfs/dbraw/zinc/01/60/38/491016038.db2.gz UZQNJHUWNQNFOY-INIZCTEOSA-N 1 2 346.343 1.052 20 5 EDBDLO CSc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000178606282 534185388 /nfs/dbraw/zinc/18/53/88/534185388.db2.gz CXDAIQNHDSYPOL-LBPRGKRZSA-N 1 2 336.417 1.046 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1Br ZINC000159084856 534518972 /nfs/dbraw/zinc/51/89/72/534518972.db2.gz UHSPHPPJEYGPGY-UHFFFAOYSA-N 1 2 339.149 1.984 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299053028 524792487 /nfs/dbraw/zinc/79/24/87/524792487.db2.gz HZJHJFPAWDDEPZ-SECBINFHSA-N 1 2 328.325 1.297 20 5 EDBDLO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CC ZINC000183609200 528039616 /nfs/dbraw/zinc/03/96/16/528039616.db2.gz IFKAAZKCCUFZIX-SMDDNHRTSA-N 1 2 325.365 1.324 20 5 EDBDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000331763241 535016848 /nfs/dbraw/zinc/01/68/48/535016848.db2.gz NYNCGFBGFGAXNX-LLVKDONJSA-N 1 2 332.364 1.656 20 5 EDBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000270373364 536829777 /nfs/dbraw/zinc/82/97/77/536829777.db2.gz NHBJAXGNZBFCRF-GFCCVEGCSA-N 1 2 337.376 1.395 20 5 EDBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741146215 579399180 /nfs/dbraw/zinc/39/91/80/579399180.db2.gz DPERLVXJIOUDTE-FZMZJTMJSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741146215 579399181 /nfs/dbraw/zinc/39/91/81/579399181.db2.gz DPERLVXJIOUDTE-FZMZJTMJSA-N 1 2 335.360 1.949 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000729983583 578605759 /nfs/dbraw/zinc/60/57/59/578605759.db2.gz CTCSDBSTEZSPFC-ZDUSSCGKSA-N 1 2 337.424 1.992 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000729983583 578605761 /nfs/dbraw/zinc/60/57/61/578605761.db2.gz CTCSDBSTEZSPFC-ZDUSSCGKSA-N 1 2 337.424 1.992 20 5 EDBDLO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000738162597 579166667 /nfs/dbraw/zinc/16/66/67/579166667.db2.gz RZVSUTTZYYOZOD-GFCCVEGCSA-N 1 2 348.359 1.432 20 5 EDBDLO C[C@@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000738162597 579166668 /nfs/dbraw/zinc/16/66/68/579166668.db2.gz RZVSUTTZYYOZOD-GFCCVEGCSA-N 1 2 348.359 1.432 20 5 EDBDLO C[C@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000738162598 579166749 /nfs/dbraw/zinc/16/67/49/579166749.db2.gz RZVSUTTZYYOZOD-LBPRGKRZSA-N 1 2 348.359 1.432 20 5 EDBDLO C[C@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000738162598 579166750 /nfs/dbraw/zinc/16/67/50/579166750.db2.gz RZVSUTTZYYOZOD-LBPRGKRZSA-N 1 2 348.359 1.432 20 5 EDBDLO O=[N+]([O-])c1ccn(Cc2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)n1 ZINC000761482033 580058061 /nfs/dbraw/zinc/05/80/61/580058061.db2.gz LZUYMBCTWOICFI-UHFFFAOYSA-N 1 2 338.287 1.470 20 5 EDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000746655050 579605447 /nfs/dbraw/zinc/60/54/47/579605447.db2.gz SBMCQLPZYWMSOW-UHFFFAOYSA-N 1 2 328.332 1.572 20 5 EDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000746655050 579605448 /nfs/dbraw/zinc/60/54/48/579605448.db2.gz SBMCQLPZYWMSOW-UHFFFAOYSA-N 1 2 328.332 1.572 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000758466376 579983186 /nfs/dbraw/zinc/98/31/86/579983186.db2.gz UXTCWBFXONLXSM-LLVKDONJSA-N 1 2 325.340 1.493 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000758466376 579983187 /nfs/dbraw/zinc/98/31/87/579983187.db2.gz UXTCWBFXONLXSM-LLVKDONJSA-N 1 2 325.340 1.493 20 5 EDBDLO C[S@](=O)Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000762121658 580067460 /nfs/dbraw/zinc/06/74/60/580067460.db2.gz OGISZPJEYWXHRX-QHCPKHFHSA-N 1 2 333.329 1.709 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)n1 ZINC000762201712 580069542 /nfs/dbraw/zinc/06/95/42/580069542.db2.gz SJVQEZWZWOJPCV-UHFFFAOYSA-N 1 2 338.287 1.626 20 5 EDBDLO C[N@H+](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000772061057 580302414 /nfs/dbraw/zinc/30/24/14/580302414.db2.gz MINWUUHMQGJVBD-ZDUSSCGKSA-N 1 2 338.385 1.758 20 5 EDBDLO C[N@@H+](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000772061057 580302415 /nfs/dbraw/zinc/30/24/15/580302415.db2.gz MINWUUHMQGJVBD-ZDUSSCGKSA-N 1 2 338.385 1.758 20 5 EDBDLO CN1C[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000772763510 580320156 /nfs/dbraw/zinc/32/01/56/580320156.db2.gz YEDPAJWVZWGYKO-LLVKDONJSA-N 1 2 344.327 1.416 20 5 EDBDLO CN1C(=O)CN(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000776201359 580411141 /nfs/dbraw/zinc/41/11/41/580411141.db2.gz SPSRMOUTXPYPEO-UHFFFAOYSA-N 1 2 348.359 1.290 20 5 EDBDLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000776277775 580413876 /nfs/dbraw/zinc/41/38/76/580413876.db2.gz SATVNMJWCPAFFB-CYBMUJFWSA-N 1 2 334.332 1.495 20 5 EDBDLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000776277775 580413877 /nfs/dbraw/zinc/41/38/77/580413877.db2.gz SATVNMJWCPAFFB-CYBMUJFWSA-N 1 2 334.332 1.495 20 5 EDBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(n2cc[nH+]c2)C1 ZINC000781971328 580562148 /nfs/dbraw/zinc/56/21/48/580562148.db2.gz YMRAGNLLLYNXFQ-HNNXBMFYSA-N 1 2 341.327 1.368 20 5 EDBDLO Cc1cc(F)cc(C(=O)O[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000782282149 580570838 /nfs/dbraw/zinc/57/08/38/580570838.db2.gz UWOMGIMVTDJMNP-LLVKDONJSA-N 1 2 326.324 1.920 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)OCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000784507234 580622482 /nfs/dbraw/zinc/62/24/82/580622482.db2.gz VTXORYCSKLOLHS-UHFFFAOYSA-N 1 2 341.327 1.930 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)O[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000796255452 580949247 /nfs/dbraw/zinc/94/92/47/580949247.db2.gz RGMGADAJCUGWPD-SNVBAGLBSA-N 1 2 326.353 1.319 20 5 EDBDLO C[C@@H]1C[N@H+](CCOC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800124977 581043954 /nfs/dbraw/zinc/04/39/54/581043954.db2.gz WWUULWREQOKZDS-GFCCVEGCSA-N 1 2 340.401 1.951 20 5 EDBDLO C[C@@H]1C[N@@H+](CCOC(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800124977 581043955 /nfs/dbraw/zinc/04/39/55/581043955.db2.gz WWUULWREQOKZDS-GFCCVEGCSA-N 1 2 340.401 1.951 20 5 EDBDLO Cc1nn(C[NH+]2CCC(N3CCCOC3=O)CC2)c(C)c1[N+](=O)[O-] ZINC000902594728 592016376 /nfs/dbraw/zinc/01/63/76/592016376.db2.gz UQMWQRVTSHCUTI-UHFFFAOYSA-N 1 2 337.380 1.672 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCO[C@@H]4COCC[C@@H]43)c2)cc1 ZINC000902626666 592030894 /nfs/dbraw/zinc/03/08/94/592030894.db2.gz JVRARFAUVZHNGU-DLBZAZTESA-N 1 2 344.371 1.906 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCO[C@@H]4COCC[C@@H]43)c2)cc1 ZINC000902626666 592030895 /nfs/dbraw/zinc/03/08/95/592030895.db2.gz JVRARFAUVZHNGU-DLBZAZTESA-N 1 2 344.371 1.906 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c([N+](=O)[O-])s1 ZINC000903208812 592138891 /nfs/dbraw/zinc/13/88/91/592138891.db2.gz ZJZPHCZGDHNFAJ-JTQLQIEISA-N 1 2 331.419 1.433 20 5 EDBDLO O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000838636753 593199544 /nfs/dbraw/zinc/19/95/44/593199544.db2.gz VNRYQIHCDAUPJT-CQSZACIVSA-N 1 2 343.343 1.709 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000839036948 593249196 /nfs/dbraw/zinc/24/91/96/593249196.db2.gz YXVZNVPCKQSAIM-INIZCTEOSA-N 1 2 346.362 1.985 20 5 EDBDLO COC(=O)COc1ccc(C[NH+]2CC(O)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000839132825 593267864 /nfs/dbraw/zinc/26/78/64/593267864.db2.gz GEZAICGWJKHJTI-UHFFFAOYSA-N 1 2 338.360 1.349 20 5 EDBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@]1(CO)CCOC1 ZINC000839547218 593338278 /nfs/dbraw/zinc/33/82/78/593338278.db2.gz GKOQBYIGVHGYJN-ZDUSSCGKSA-N 1 2 345.193 1.941 20 5 EDBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)[C@]1(CO)CCOC1 ZINC000839547218 593338280 /nfs/dbraw/zinc/33/82/80/593338280.db2.gz GKOQBYIGVHGYJN-ZDUSSCGKSA-N 1 2 345.193 1.941 20 5 EDBDLO CN(Cc1[nH+]ccn1C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804331955 593405081 /nfs/dbraw/zinc/40/50/81/593405081.db2.gz UKXOZDIBAKHDMP-UHFFFAOYSA-N 1 2 330.348 1.155 20 5 EDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000804438657 593415245 /nfs/dbraw/zinc/41/52/45/593415245.db2.gz QVJLSXNSQJNISF-UHFFFAOYSA-N 1 2 343.387 1.853 20 5 EDBDLO O=C(NC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000811786802 593482088 /nfs/dbraw/zinc/48/20/88/593482088.db2.gz XPBSGVOGYNIEPF-SECBINFHSA-N 1 2 335.286 1.139 20 5 EDBDLO O=C(NC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000811786802 593482089 /nfs/dbraw/zinc/48/20/89/593482089.db2.gz XPBSGVOGYNIEPF-SECBINFHSA-N 1 2 335.286 1.139 20 5 EDBDLO Cc1cnn([C@H]2CC[N@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000811798158 593482525 /nfs/dbraw/zinc/48/25/25/593482525.db2.gz IBUYNGODEBMKIT-LBPRGKRZSA-N 1 2 343.343 1.912 20 5 EDBDLO Cc1cnn([C@H]2CC[N@@H+](Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000811798158 593482526 /nfs/dbraw/zinc/48/25/26/593482526.db2.gz IBUYNGODEBMKIT-LBPRGKRZSA-N 1 2 343.343 1.912 20 5 EDBDLO CCOCc1nc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000819321058 593750719 /nfs/dbraw/zinc/75/07/19/593750719.db2.gz BVJPJYLYZLYLPM-MFKMUULPSA-N 1 2 336.348 1.899 20 5 EDBDLO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000824153298 593940218 /nfs/dbraw/zinc/94/02/18/593940218.db2.gz GZSAZSLYDNBARQ-MRXNPFEDSA-N 1 2 345.355 1.566 20 5 EDBDLO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000829577738 594643819 /nfs/dbraw/zinc/64/38/19/594643819.db2.gz PMSZMBUUJNMAHG-SNVBAGLBSA-N 1 2 344.209 1.860 20 5 EDBDLO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000829577738 594643820 /nfs/dbraw/zinc/64/38/20/594643820.db2.gz PMSZMBUUJNMAHG-SNVBAGLBSA-N 1 2 344.209 1.860 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000843826360 595194957 /nfs/dbraw/zinc/19/49/57/595194957.db2.gz SFYWYQQQUVMUAO-GFCCVEGCSA-N 1 2 337.351 1.589 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000843838052 595198391 /nfs/dbraw/zinc/19/83/91/595198391.db2.gz WTTWITUGIHJTJT-ZWNOBZJWSA-N 1 2 325.340 1.491 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000843838052 595198392 /nfs/dbraw/zinc/19/83/92/595198392.db2.gz WTTWITUGIHJTJT-ZWNOBZJWSA-N 1 2 325.340 1.491 20 5 EDBDLO Cc1nc(N)c(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c[nH+]1 ZINC000843884490 595208872 /nfs/dbraw/zinc/20/88/72/595208872.db2.gz QYTMWDODKWQUKB-UHFFFAOYSA-N 1 2 348.338 1.411 20 5 EDBDLO Cn1c[nH+]c(CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000848591068 595411385 /nfs/dbraw/zinc/41/13/85/595411385.db2.gz JPQLKWBQXCEBIN-UHFFFAOYSA-N 1 2 340.286 1.659 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000853520046 595781675 /nfs/dbraw/zinc/78/16/75/595781675.db2.gz MERSFOHOPJVKNP-UHFFFAOYSA-N 1 2 344.327 1.330 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000853520046 595781677 /nfs/dbraw/zinc/78/16/77/595781677.db2.gz MERSFOHOPJVKNP-UHFFFAOYSA-N 1 2 344.327 1.330 20 5 EDBDLO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000854726319 596176696 /nfs/dbraw/zinc/17/66/96/596176696.db2.gz BYBJCUQDKVPYLT-CYBMUJFWSA-N 1 2 348.403 1.422 20 5 EDBDLO NC(=O)C[N@@H+]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865455581 596581096 /nfs/dbraw/zinc/58/10/96/596581096.db2.gz ISRMBYFFSRAMRE-UHFFFAOYSA-N 1 2 347.202 1.899 20 5 EDBDLO NC(=O)C[N@H+]1CCCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865455581 596581098 /nfs/dbraw/zinc/58/10/98/596581098.db2.gz ISRMBYFFSRAMRE-UHFFFAOYSA-N 1 2 347.202 1.899 20 5 EDBDLO CO[C@@H]1C[C@@H]2CN(c3cccnc3[N+](=O)[O-])Cc3ccc[nH+]c3N2C1 ZINC000866057181 596774323 /nfs/dbraw/zinc/77/43/23/596774323.db2.gz FSIKWAPLLGPDQU-ZIAGYGMSSA-N 1 2 341.371 1.999 20 5 EDBDLO CNC(=O)c1ccc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000876591414 597253775 /nfs/dbraw/zinc/25/37/75/597253775.db2.gz KUXASTVNMAQAOV-UHFFFAOYSA-N 1 2 343.387 1.853 20 5 EDBDLO CNC(=O)c1ccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000876591414 597253778 /nfs/dbraw/zinc/25/37/78/597253778.db2.gz KUXASTVNMAQAOV-UHFFFAOYSA-N 1 2 343.387 1.853 20 5 EDBDLO Cn1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])n1 ZINC000877473659 597521649 /nfs/dbraw/zinc/52/16/49/597521649.db2.gz PDSMVHWHGNFAMP-UHFFFAOYSA-N 1 2 335.339 1.906 20 5 EDBDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000877715386 597550402 /nfs/dbraw/zinc/55/04/02/597550402.db2.gz WXIXIMQGDPHVFZ-OAHLLOKOSA-N 1 2 337.307 1.628 20 5 EDBDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000877715386 597550403 /nfs/dbraw/zinc/55/04/03/597550403.db2.gz WXIXIMQGDPHVFZ-OAHLLOKOSA-N 1 2 337.307 1.628 20 5 EDBDLO O=C1CC2(CN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)[NH2+]CCN1 ZINC000882683785 598022012 /nfs/dbraw/zinc/02/20/12/598022012.db2.gz TYGDUFROUDYSEF-UHFFFAOYSA-N 1 2 326.303 1.201 20 5 EDBDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000050991195 214074836 /nfs/dbraw/zinc/07/48/36/214074836.db2.gz PKVZZNYAIJKCAM-LBPRGKRZSA-N 1 2 348.403 1.831 20 5 EDBDLO CCc1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000171369665 529467846 /nfs/dbraw/zinc/46/78/46/529467846.db2.gz ZWHDCSCDAOWNQS-UHFFFAOYSA-N 1 2 344.375 1.806 20 5 EDBDLO O=C(Cc1ccccc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174820927 231318000 /nfs/dbraw/zinc/31/80/00/231318000.db2.gz JHBHRCWQZVAGTC-UHFFFAOYSA-N 1 2 343.387 1.178 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178350086 232142190 /nfs/dbraw/zinc/14/21/90/232142190.db2.gz UFYYRLZRAFAYJV-UHFFFAOYSA-N 1 2 328.332 1.454 20 5 EDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000560489965 306271540 /nfs/dbraw/zinc/27/15/40/306271540.db2.gz RMHFINNCPGEDKG-ZDUSSCGKSA-N 1 2 344.371 1.379 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000181870847 234362417 /nfs/dbraw/zinc/36/24/17/234362417.db2.gz SILJMECREMBNOM-PBWFPOADSA-N 1 2 340.401 1.356 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000181870847 234362420 /nfs/dbraw/zinc/36/24/20/234362420.db2.gz SILJMECREMBNOM-PBWFPOADSA-N 1 2 340.401 1.356 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)c2ncccc12 ZINC000185401170 138804844 /nfs/dbraw/zinc/80/48/44/138804844.db2.gz WIEIYFVNJCLOAA-UHFFFAOYSA-N 1 2 347.356 1.318 20 5 EDBDLO O=C1CCCN1C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000414149923 304102732 /nfs/dbraw/zinc/10/27/32/304102732.db2.gz XWHJDOKHNQFGSU-CQSZACIVSA-N 1 2 330.344 1.442 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245399800 139071967 /nfs/dbraw/zinc/07/19/67/139071967.db2.gz BADBQKMSERLHLD-NWDGAFQWSA-N 1 2 335.360 1.807 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245399800 139071968 /nfs/dbraw/zinc/07/19/68/139071968.db2.gz BADBQKMSERLHLD-NWDGAFQWSA-N 1 2 335.360 1.807 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110956315 296254647 /nfs/dbraw/zinc/25/46/47/296254647.db2.gz MCHAQTSXXYBQMO-MRXNPFEDSA-N 1 2 333.388 1.922 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249154455 139188038 /nfs/dbraw/zinc/18/80/38/139188038.db2.gz YJAKKZWQLTXMPQ-GXTWGEPZSA-N 1 2 349.387 1.973 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249154455 139188039 /nfs/dbraw/zinc/18/80/39/139188039.db2.gz YJAKKZWQLTXMPQ-GXTWGEPZSA-N 1 2 349.387 1.973 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(C)cc1[N+](=O)[O-] ZINC000416518707 251073188 /nfs/dbraw/zinc/07/31/88/251073188.db2.gz DATPABVJXHBMBS-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(C)cc1[N+](=O)[O-] ZINC000416518707 251073193 /nfs/dbraw/zinc/07/31/93/251073193.db2.gz DATPABVJXHBMBS-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OCC1CC1 ZINC000263799235 139361150 /nfs/dbraw/zinc/36/11/50/139361150.db2.gz LLCMNQWSXDCMMS-UHFFFAOYSA-N 1 2 344.327 1.464 20 5 EDBDLO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490087704 255078796 /nfs/dbraw/zinc/07/87/96/255078796.db2.gz HIJKBHVMCWTAFW-LBPRGKRZSA-N 1 2 328.340 1.980 20 5 EDBDLO COCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490087704 255078797 /nfs/dbraw/zinc/07/87/97/255078797.db2.gz HIJKBHVMCWTAFW-LBPRGKRZSA-N 1 2 328.340 1.980 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000495206026 255273125 /nfs/dbraw/zinc/27/31/25/255273125.db2.gz HXNMPOPSWFFLSJ-LBPRGKRZSA-N 1 2 339.396 1.998 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000495206026 255273126 /nfs/dbraw/zinc/27/31/26/255273126.db2.gz HXNMPOPSWFFLSJ-LBPRGKRZSA-N 1 2 339.396 1.998 20 5 EDBDLO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000263984200 139373881 /nfs/dbraw/zinc/37/38/81/139373881.db2.gz XQBWXXYJMVMBTO-ZDUSSCGKSA-N 1 2 328.390 1.483 20 5 EDBDLO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000263984200 139373882 /nfs/dbraw/zinc/37/38/82/139373882.db2.gz XQBWXXYJMVMBTO-ZDUSSCGKSA-N 1 2 328.390 1.483 20 5 EDBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000270888634 140190888 /nfs/dbraw/zinc/19/08/88/140190888.db2.gz CCHYNHWTVFVXSW-UHFFFAOYSA-N 1 2 331.332 1.921 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270932702 140201924 /nfs/dbraw/zinc/20/19/24/140201924.db2.gz QJUSLZTZZMMLTR-IUODEOHRSA-N 1 2 346.387 1.619 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270932702 140201925 /nfs/dbraw/zinc/20/19/25/140201925.db2.gz QJUSLZTZZMMLTR-IUODEOHRSA-N 1 2 346.387 1.619 20 5 EDBDLO NC(=O)N[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271389372 140289397 /nfs/dbraw/zinc/28/93/97/140289397.db2.gz SSWCMIBVUXYDCZ-NSHDSACASA-N 1 2 347.400 1.961 20 5 EDBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271389372 140289398 /nfs/dbraw/zinc/28/93/98/140289398.db2.gz SSWCMIBVUXYDCZ-NSHDSACASA-N 1 2 347.400 1.961 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000331568610 141049739 /nfs/dbraw/zinc/04/97/39/141049739.db2.gz KAXBMMJZOGUZGL-LBPRGKRZSA-N 1 2 333.323 1.552 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000331568610 141049740 /nfs/dbraw/zinc/04/97/40/141049740.db2.gz KAXBMMJZOGUZGL-LBPRGKRZSA-N 1 2 333.323 1.552 20 5 EDBDLO 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C[C@@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544758363 306078597 /nfs/dbraw/zinc/07/85/97/306078597.db2.gz BXYNDJKOLOQHLV-AWEZNQCLSA-N 1 2 328.390 1.215 20 5 EDBDLO C[C@@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544758363 306078598 /nfs/dbraw/zinc/07/85/98/306078598.db2.gz BXYNDJKOLOQHLV-AWEZNQCLSA-N 1 2 328.390 1.215 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000044696281 440871649 /nfs/dbraw/zinc/87/16/49/440871649.db2.gz ILEDAEPSOLMGFJ-UHFFFAOYSA-N 1 2 334.723 1.409 20 5 EDBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000045312275 440972984 /nfs/dbraw/zinc/97/29/84/440972984.db2.gz OUOSNDFUKNODGM-UHFFFAOYSA-N 1 2 331.332 1.085 20 5 EDBDLO O=c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)occ1O ZINC000072665063 441247436 /nfs/dbraw/zinc/24/74/36/441247436.db2.gz VEQXZFCAWDYMAS-JTQLQIEISA-N 1 2 332.316 1.335 20 5 EDBDLO O=c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)occ1O ZINC000072665063 441247440 /nfs/dbraw/zinc/24/74/40/441247440.db2.gz VEQXZFCAWDYMAS-JTQLQIEISA-N 1 2 332.316 1.335 20 5 EDBDLO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000021847072 441274574 /nfs/dbraw/zinc/27/45/74/441274574.db2.gz LEPALTJGBFIOIO-UHFFFAOYSA-N 1 2 340.767 1.384 20 5 EDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000051792688 441424490 /nfs/dbraw/zinc/42/44/90/441424490.db2.gz YUYFNBXPBJIJHN-CQSZACIVSA-N 1 2 334.420 1.940 20 5 EDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000065758088 441482243 /nfs/dbraw/zinc/48/22/43/441482243.db2.gz VQIJOSFUVIRBPZ-UHFFFAOYSA-N 1 2 339.377 1.766 20 5 EDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588332 441536379 /nfs/dbraw/zinc/53/63/79/441536379.db2.gz JEVWKOGMWKUUNX-ZIAGYGMSSA-N 1 2 346.431 1.941 20 5 EDBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588332 441536388 /nfs/dbraw/zinc/53/63/88/441536388.db2.gz JEVWKOGMWKUUNX-ZIAGYGMSSA-N 1 2 346.431 1.941 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000041992202 441691561 /nfs/dbraw/zinc/69/15/61/441691561.db2.gz AQBREOPXZDIAGY-NSHDSACASA-N 1 2 331.332 1.243 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000091212701 441676840 /nfs/dbraw/zinc/67/68/40/441676840.db2.gz PSPVJBIOOIFFAZ-UHFFFAOYSA-N 1 2 338.389 1.777 20 5 EDBDLO Cn1c[nH+]cc1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000121595326 441738539 /nfs/dbraw/zinc/73/85/39/441738539.db2.gz YZOOGSWRLCAHRK-UHFFFAOYSA-N 1 2 340.343 1.487 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000123740679 441898225 /nfs/dbraw/zinc/89/82/25/441898225.db2.gz GWXNQCUZQKGPGV-UHFFFAOYSA-N 1 2 343.380 1.450 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cn(Cc2c(C)[nH+]c3ccccn32)c1=O ZINC000150910731 441972771 /nfs/dbraw/zinc/97/27/71/441972771.db2.gz ICARCLFWGCVZKP-UHFFFAOYSA-N 1 2 342.311 1.548 20 5 EDBDLO CC(=O)NC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000125055577 441979795 /nfs/dbraw/zinc/97/97/95/441979795.db2.gz UBNTUNZTWJBIDR-UHFFFAOYSA-N 1 2 346.387 1.084 20 5 EDBDLO COc1ccc(OC)c2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]2O ZINC000176205213 442190150 /nfs/dbraw/zinc/19/01/50/442190150.db2.gz PIDGXBRFDZUKHI-LBPRGKRZSA-N 1 2 348.359 1.358 20 5 EDBDLO COc1ccc(OC)c2c1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]2O ZINC000176205213 442190152 /nfs/dbraw/zinc/19/01/52/442190152.db2.gz PIDGXBRFDZUKHI-LBPRGKRZSA-N 1 2 348.359 1.358 20 5 EDBDLO CCOC(=O)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177793348 442385280 /nfs/dbraw/zinc/38/52/80/442385280.db2.gz NNQQNACXMZKKMN-NSHDSACASA-N 1 2 346.343 1.852 20 5 EDBDLO C[C@@]1(O)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000179852712 442512164 /nfs/dbraw/zinc/51/21/64/442512164.db2.gz NDNJZSWYZMMTDI-MRXNPFEDSA-N 1 2 330.344 1.768 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000172724900 442527334 /nfs/dbraw/zinc/52/73/34/442527334.db2.gz WHUAKFWBBOBYHY-MRXNPFEDSA-N 1 2 335.404 1.990 20 5 EDBDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000187046417 442649347 /nfs/dbraw/zinc/64/93/47/442649347.db2.gz LVOJQESIRCLKMU-LBPRGKRZSA-N 1 2 344.371 1.955 20 5 EDBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000187046417 442649350 /nfs/dbraw/zinc/64/93/50/442649350.db2.gz LVOJQESIRCLKMU-LBPRGKRZSA-N 1 2 344.371 1.955 20 5 EDBDLO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000135635256 442621195 /nfs/dbraw/zinc/62/11/95/442621195.db2.gz FNAUTNIXCNVDKS-VIFPVBQESA-N 1 2 335.389 1.556 20 5 EDBDLO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000135635256 442621197 /nfs/dbraw/zinc/62/11/97/442621197.db2.gz FNAUTNIXCNVDKS-VIFPVBQESA-N 1 2 335.389 1.556 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000180557936 442621515 /nfs/dbraw/zinc/62/15/15/442621515.db2.gz HMUMDZHWDHVZBA-AWEZNQCLSA-N 1 2 329.316 1.101 20 5 EDBDLO CSc1cccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188059215 442706738 /nfs/dbraw/zinc/70/67/38/442706738.db2.gz MBAFPCJYBJWZCS-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193971323 442822744 /nfs/dbraw/zinc/82/27/44/442822744.db2.gz CPGQAKUHRIACJT-LLVKDONJSA-N 1 2 334.376 1.612 20 5 EDBDLO CCOC(=O)c1cc(NC[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000268178390 442886876 /nfs/dbraw/zinc/88/68/76/442886876.db2.gz KMCGEBBQDMGEKR-ZDUSSCGKSA-N 1 2 336.392 1.429 20 5 EDBDLO CCOC(=O)c1cc(NC[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000268178390 442886881 /nfs/dbraw/zinc/88/68/81/442886881.db2.gz KMCGEBBQDMGEKR-ZDUSSCGKSA-N 1 2 336.392 1.429 20 5 EDBDLO Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000198153996 443036621 /nfs/dbraw/zinc/03/66/21/443036621.db2.gz QJVPTNXGPFLCRU-AWEZNQCLSA-N 1 2 333.388 1.840 20 5 EDBDLO COc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000185130207 443143941 /nfs/dbraw/zinc/14/39/41/443143941.db2.gz ISHHNRNAFRAGOI-ZDUSSCGKSA-N 1 2 349.343 1.848 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141368 443147027 /nfs/dbraw/zinc/14/70/27/443147027.db2.gz ZEKPNVTYZHWWOV-XFNZEKPQSA-N 1 2 327.406 1.256 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141368 443147030 /nfs/dbraw/zinc/14/70/30/443147030.db2.gz ZEKPNVTYZHWWOV-XFNZEKPQSA-N 1 2 327.406 1.256 20 5 EDBDLO CCOC(=O)[C@H](CC)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000190650052 443157766 /nfs/dbraw/zinc/15/77/66/443157766.db2.gz ZOCNICYMPWPTNY-AWEZNQCLSA-N 1 2 337.376 1.563 20 5 EDBDLO CCOC(=O)[C@H](CC)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000190650052 443157770 /nfs/dbraw/zinc/15/77/70/443157770.db2.gz ZOCNICYMPWPTNY-AWEZNQCLSA-N 1 2 337.376 1.563 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000263772706 443238532 /nfs/dbraw/zinc/23/85/32/443238532.db2.gz UAIPLPQXBHQACP-UHFFFAOYSA-N 1 2 332.404 1.648 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375329131 319122616 /nfs/dbraw/zinc/12/26/16/319122616.db2.gz REIOAUMXQKXADW-CYBMUJFWSA-N 1 2 330.348 1.380 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375329131 319122618 /nfs/dbraw/zinc/12/26/18/319122618.db2.gz REIOAUMXQKXADW-CYBMUJFWSA-N 1 2 330.348 1.380 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)S1 ZINC000267206222 443377671 /nfs/dbraw/zinc/37/76/71/443377671.db2.gz KPSJMIKVQIDUSO-SNVBAGLBSA-N 1 2 349.416 1.307 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000283201315 443558804 /nfs/dbraw/zinc/55/88/04/443558804.db2.gz RAYFAGPHLSKNAO-LBPRGKRZSA-N 1 2 337.376 1.132 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1F ZINC000273195100 443559839 /nfs/dbraw/zinc/55/98/39/443559839.db2.gz QNAZNWFYBWAFSV-UHFFFAOYSA-N 1 2 347.350 1.855 20 5 EDBDLO CC(C)(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000283169080 443548007 /nfs/dbraw/zinc/54/80/07/443548007.db2.gz KMQRDMQTKIQSJN-UHFFFAOYSA-N 1 2 341.795 1.975 20 5 EDBDLO CCOc1cc(N2CC[NH+](Cc3cnnn3C)CC2)ccc1[N+](=O)[O-] ZINC000279635719 443613221 /nfs/dbraw/zinc/61/32/21/443613221.db2.gz CLEZSMQLYHCILC-UHFFFAOYSA-N 1 2 346.391 1.444 20 5 EDBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283379487 443617833 /nfs/dbraw/zinc/61/78/33/443617833.db2.gz SWKUFYVXKCTPJF-VXEWELBQSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283379487 443617835 /nfs/dbraw/zinc/61/78/35/443617835.db2.gz SWKUFYVXKCTPJF-VXEWELBQSA-N 1 2 339.417 1.765 20 5 EDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000280014103 443656321 /nfs/dbraw/zinc/65/63/21/443656321.db2.gz MAJDLEFZSWVFFR-CYBMUJFWSA-N 1 2 339.417 1.152 20 5 EDBDLO CCN1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449521329 320193756 /nfs/dbraw/zinc/19/37/56/320193756.db2.gz UPSWAZFDIMTWLK-CJNGLKHVSA-N 1 2 343.387 1.628 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000280502100 443731200 /nfs/dbraw/zinc/73/12/00/443731200.db2.gz QWPMPNOSEVJVPG-ZBEGNZNMSA-N 1 2 335.360 1.074 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000280502100 443731204 /nfs/dbraw/zinc/73/12/04/443731204.db2.gz QWPMPNOSEVJVPG-ZBEGNZNMSA-N 1 2 335.360 1.074 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000276543744 443740801 /nfs/dbraw/zinc/74/08/01/443740801.db2.gz ROZIFKWSJDYLFT-QGZVFWFLSA-N 1 2 347.415 1.707 20 5 EDBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000276543744 443740806 /nfs/dbraw/zinc/74/08/06/443740806.db2.gz ROZIFKWSJDYLFT-QGZVFWFLSA-N 1 2 347.415 1.707 20 5 EDBDLO O=C(C[N@H+]1CCC[C@@H](O)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000293066826 443916442 /nfs/dbraw/zinc/91/64/42/443916442.db2.gz ISPRHMMZPSDHQI-SNVBAGLBSA-N 1 2 337.332 1.109 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@@H](O)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000293066826 443916445 /nfs/dbraw/zinc/91/64/45/443916445.db2.gz ISPRHMMZPSDHQI-SNVBAGLBSA-N 1 2 337.332 1.109 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299313714 444015238 /nfs/dbraw/zinc/01/52/38/444015238.db2.gz FSBREVDUWZAHMC-NSHDSACASA-N 1 2 338.389 1.721 20 5 EDBDLO Cc1cc(NC(=O)NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000278097124 444095024 /nfs/dbraw/zinc/09/50/24/444095024.db2.gz QFKDOGYKQZMUNK-UHFFFAOYSA-N 1 2 334.376 1.890 20 5 EDBDLO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1C ZINC000282299279 444142474 /nfs/dbraw/zinc/14/24/74/444142474.db2.gz SNFZDGKSUCMWSW-GFCCVEGCSA-N 1 2 344.371 1.955 20 5 EDBDLO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1C ZINC000282299279 444142479 /nfs/dbraw/zinc/14/24/79/444142479.db2.gz SNFZDGKSUCMWSW-GFCCVEGCSA-N 1 2 344.371 1.955 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301102130 444144869 /nfs/dbraw/zinc/14/48/69/444144869.db2.gz QHSPURDTKIRUJE-UHFFFAOYSA-N 1 2 339.315 1.282 20 5 EDBDLO C[C@H]([C@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301211034 444154608 /nfs/dbraw/zinc/15/46/08/444154608.db2.gz VAEZLDQIJGBLIG-WDEREUQCSA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981748 444167915 /nfs/dbraw/zinc/16/79/15/444167915.db2.gz OAYSHZQFYYDIPL-KBPBESRZSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981748 444167917 /nfs/dbraw/zinc/16/79/17/444167917.db2.gz OAYSHZQFYYDIPL-KBPBESRZSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981748 444167920 /nfs/dbraw/zinc/16/79/20/444167920.db2.gz OAYSHZQFYYDIPL-KBPBESRZSA-N 1 2 348.403 1.328 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289595525 444178323 /nfs/dbraw/zinc/17/83/23/444178323.db2.gz PZPCSBLRMFMMKU-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO CS(=O)(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302786273 444224292 /nfs/dbraw/zinc/22/42/92/444224292.db2.gz VXFNLEDMAPKCFS-UHFFFAOYSA-N 1 2 325.390 1.283 20 5 EDBDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccncc1[N+](=O)[O-] ZINC000340932947 444583869 /nfs/dbraw/zinc/58/38/69/444583869.db2.gz UBDJJCUGHOVUPF-STQMWFEESA-N 1 2 348.382 1.772 20 5 EDBDLO C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344106350 444784859 /nfs/dbraw/zinc/78/48/59/444784859.db2.gz KJHUGFUNMVIUBU-WCQYABFASA-N 1 2 330.344 1.623 20 5 EDBDLO COC(=O)c1cc(C)nc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000342670335 444806752 /nfs/dbraw/zinc/80/67/52/444806752.db2.gz FTCNLEUNFMBTLU-UHFFFAOYSA-N 1 2 341.327 2.345 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CCC2 ZINC000611041954 450417695 /nfs/dbraw/zinc/41/76/95/450417695.db2.gz UWESEFWTMPZWSM-LBPRGKRZSA-N 1 2 346.391 1.725 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000341709325 444962456 /nfs/dbraw/zinc/96/24/56/444962456.db2.gz FQIPPWKLWXZQBA-GJZGRUSLSA-N 1 2 337.351 1.208 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000341709325 444962459 /nfs/dbraw/zinc/96/24/59/444962459.db2.gz FQIPPWKLWXZQBA-GJZGRUSLSA-N 1 2 337.351 1.208 20 5 EDBDLO Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000339130491 445048032 /nfs/dbraw/zinc/04/80/32/445048032.db2.gz CLVYZFVPVTUIKK-LLVKDONJSA-N 1 2 329.360 2.052 20 5 EDBDLO Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000339130491 445048034 /nfs/dbraw/zinc/04/80/34/445048034.db2.gz CLVYZFVPVTUIKK-LLVKDONJSA-N 1 2 329.360 2.052 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000339181441 445076113 /nfs/dbraw/zinc/07/61/13/445076113.db2.gz NCVPCXKONPOMLV-UHFFFAOYSA-N 1 2 333.348 1.037 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000347158427 445233017 /nfs/dbraw/zinc/23/30/17/445233017.db2.gz OYJZVCHBEDRRME-UHFFFAOYSA-N 1 2 341.433 1.872 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000347158427 445233018 /nfs/dbraw/zinc/23/30/18/445233018.db2.gz OYJZVCHBEDRRME-UHFFFAOYSA-N 1 2 341.433 1.872 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000359785307 445428164 /nfs/dbraw/zinc/42/81/64/445428164.db2.gz CQQXBJLTDPJRBG-UHFFFAOYSA-N 1 2 346.734 1.803 20 5 EDBDLO COc1ccc(CS(=O)(=O)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000357039721 445389864 /nfs/dbraw/zinc/38/98/64/445389864.db2.gz NRJFZJHSTVNSIV-UHFFFAOYSA-N 1 2 325.346 1.452 20 5 EDBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362578102 445448105 /nfs/dbraw/zinc/44/81/05/445448105.db2.gz CKZYCGDDLFOSRK-SNVBAGLBSA-N 1 2 336.392 1.429 20 5 EDBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362578102 445448110 /nfs/dbraw/zinc/44/81/10/445448110.db2.gz CKZYCGDDLFOSRK-SNVBAGLBSA-N 1 2 336.392 1.429 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(CN2CC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000352063342 445467140 /nfs/dbraw/zinc/46/71/40/445467140.db2.gz NNKXSUSKSDFXPT-NSHDSACASA-N 1 2 327.331 1.780 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000352063342 445467143 /nfs/dbraw/zinc/46/71/43/445467143.db2.gz NNKXSUSKSDFXPT-NSHDSACASA-N 1 2 327.331 1.780 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000352063342 445467150 /nfs/dbraw/zinc/46/71/50/445467150.db2.gz NNKXSUSKSDFXPT-NSHDSACASA-N 1 2 327.331 1.780 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362723632 445519406 /nfs/dbraw/zinc/51/94/06/445519406.db2.gz NHZCHEZBQOOXJN-JTQLQIEISA-N 1 2 343.330 1.252 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362723632 445519408 /nfs/dbraw/zinc/51/94/08/445519408.db2.gz NHZCHEZBQOOXJN-JTQLQIEISA-N 1 2 343.330 1.252 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000357380556 445555522 /nfs/dbraw/zinc/55/55/22/445555522.db2.gz ILGASCXHNMNYPO-UHFFFAOYSA-N 1 2 334.376 1.572 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000357380556 445555524 /nfs/dbraw/zinc/55/55/24/445555524.db2.gz ILGASCXHNMNYPO-UHFFFAOYSA-N 1 2 334.376 1.572 20 5 EDBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353481669 445622456 /nfs/dbraw/zinc/62/24/56/445622456.db2.gz KSOCQDLXWOLHMF-UHFFFAOYSA-N 1 2 340.343 1.835 20 5 EDBDLO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353680786 445704727 /nfs/dbraw/zinc/70/47/27/445704727.db2.gz LFARPJKPWRMGAH-PXJNQOFFSA-N 1 2 336.417 1.774 20 5 EDBDLO COc1c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000356577345 445867743 /nfs/dbraw/zinc/86/77/43/445867743.db2.gz GZEJHPDPFWLYKN-LLVKDONJSA-N 1 2 330.344 1.967 20 5 EDBDLO COc1ccc(OCC[N@@H+]2C[C@@H](CO)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361675171 445872448 /nfs/dbraw/zinc/87/24/48/445872448.db2.gz KPANSNWCSXDCAN-YPMHNXCESA-N 1 2 326.349 1.064 20 5 EDBDLO COc1ccc(OCC[N@H+]2C[C@@H](CO)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361675171 445872450 /nfs/dbraw/zinc/87/24/50/445872450.db2.gz KPANSNWCSXDCAN-YPMHNXCESA-N 1 2 326.349 1.064 20 5 EDBDLO O=C1NCCCC[C@@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364053597 445893169 /nfs/dbraw/zinc/89/31/69/445893169.db2.gz HAHKMGFUGRECBO-HNNXBMFYSA-N 1 2 336.367 1.525 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2nonc21 ZINC000365056610 445997552 /nfs/dbraw/zinc/99/75/52/445997552.db2.gz QVDGNAGXYOBEIJ-CQSZACIVSA-N 1 2 344.331 1.804 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000356895657 446102606 /nfs/dbraw/zinc/10/26/06/446102606.db2.gz PTDZMKCNBYZKIB-DJIMGWMZSA-N 1 2 347.415 1.705 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000356895657 446102612 /nfs/dbraw/zinc/10/26/12/446102612.db2.gz PTDZMKCNBYZKIB-DJIMGWMZSA-N 1 2 347.415 1.705 20 5 EDBDLO CC(C)(O)c1cn(C2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000374844826 446415381 /nfs/dbraw/zinc/41/53/81/446415381.db2.gz YHMFMIKYQDTGLO-FNORWQNLSA-N 1 2 343.387 1.984 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2c([nH+]cn2C)C1 ZINC000370819726 446458412 /nfs/dbraw/zinc/45/84/12/446458412.db2.gz MBCVBDMLICIVTH-LLVKDONJSA-N 1 2 329.360 1.714 20 5 EDBDLO COC(=O)COc1ccc(CNc2cccc(CO)[nH+]2)cc1[N+](=O)[O-] ZINC000432727469 446496904 /nfs/dbraw/zinc/49/69/04/446496904.db2.gz JAHQXDBSPQALRB-UHFFFAOYSA-N 1 2 347.327 1.646 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411412268 446529045 /nfs/dbraw/zinc/52/90/45/446529045.db2.gz HOROHHSZXHEDRV-VBNZEHGJSA-N 1 2 333.388 1.535 20 5 EDBDLO CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000433478814 446580451 /nfs/dbraw/zinc/58/04/51/446580451.db2.gz TZBLRJBIMKCLGG-CQSZACIVSA-N 1 2 329.360 1.837 20 5 EDBDLO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000442537894 446904323 /nfs/dbraw/zinc/90/43/23/446904323.db2.gz HMJPGELCWWZHFQ-LLVKDONJSA-N 1 2 331.332 1.182 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000372333164 447041676 /nfs/dbraw/zinc/04/16/76/447041676.db2.gz NCZKMJVQEIMEGY-JTQLQIEISA-N 1 2 345.315 1.822 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000372333164 447041685 /nfs/dbraw/zinc/04/16/85/447041685.db2.gz NCZKMJVQEIMEGY-JTQLQIEISA-N 1 2 345.315 1.822 20 5 EDBDLO CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368973462 447237670 /nfs/dbraw/zinc/23/76/70/447237670.db2.gz KHAGRBVSRFCEMM-SGIREYDYSA-N 1 2 346.387 1.143 20 5 EDBDLO CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368973462 447237679 /nfs/dbraw/zinc/23/76/79/447237679.db2.gz KHAGRBVSRFCEMM-SGIREYDYSA-N 1 2 346.387 1.143 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000408083377 447627068 /nfs/dbraw/zinc/62/70/68/447627068.db2.gz JFJZFWYMIYXCMF-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000408083377 447627073 /nfs/dbraw/zinc/62/70/73/447627073.db2.gz JFJZFWYMIYXCMF-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO CC(=O)NCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472357284 447819455 /nfs/dbraw/zinc/81/94/55/447819455.db2.gz ZELXJKSDNHNXJV-UHFFFAOYSA-N 1 2 336.392 1.365 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000523662438 447897420 /nfs/dbraw/zinc/89/74/20/447897420.db2.gz DPSAVZRYSLKCFQ-UHFFFAOYSA-N 1 2 339.311 1.785 20 5 EDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1[nH]cc[nH+]1 ZINC000557048385 448177916 /nfs/dbraw/zinc/17/79/16/448177916.db2.gz YMWGWXIFQKXXFI-LLVKDONJSA-N 1 2 345.359 1.646 20 5 EDBDLO CSc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1[N+](=O)[O-] ZINC000556842203 448164776 /nfs/dbraw/zinc/16/47/76/448164776.db2.gz XSAXPFZJCDFVRU-UHFFFAOYSA-N 1 2 333.373 1.927 20 5 EDBDLO CCOC(=O)c1cc(NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000532334171 448239138 /nfs/dbraw/zinc/23/91/38/448239138.db2.gz QZDNPBMKDUIOQA-GFCCVEGCSA-N 1 2 337.376 1.904 20 5 EDBDLO CCOC(=O)c1cc(NCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000532334171 448239145 /nfs/dbraw/zinc/23/91/45/448239145.db2.gz QZDNPBMKDUIOQA-GFCCVEGCSA-N 1 2 337.376 1.904 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000534275408 448434977 /nfs/dbraw/zinc/43/49/77/448434977.db2.gz DKHDGNSSXOCEDJ-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000534275408 448434981 /nfs/dbraw/zinc/43/49/81/448434981.db2.gz DKHDGNSSXOCEDJ-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592205652 448742202 /nfs/dbraw/zinc/74/22/02/448742202.db2.gz KZOXRNDGPYFKFS-JQWIXIFHSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592205652 448742209 /nfs/dbraw/zinc/74/22/09/448742209.db2.gz KZOXRNDGPYFKFS-JQWIXIFHSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000592207780 448746264 /nfs/dbraw/zinc/74/62/64/448746264.db2.gz QPERAMXQDTZXNT-QWRGUYRKSA-N 1 2 342.323 1.098 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000592207780 448746269 /nfs/dbraw/zinc/74/62/69/448746269.db2.gz QPERAMXQDTZXNT-QWRGUYRKSA-N 1 2 342.323 1.098 20 5 EDBDLO O=C1NCC[C@@]12CCC[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000579370121 448779207 /nfs/dbraw/zinc/77/92/07/448779207.db2.gz YIEQWJVSRPYSOC-INIZCTEOSA-N 1 2 343.343 1.499 20 5 EDBDLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000579370121 448779212 /nfs/dbraw/zinc/77/92/12/448779212.db2.gz YIEQWJVSRPYSOC-INIZCTEOSA-N 1 2 343.343 1.499 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000593029837 449108149 /nfs/dbraw/zinc/10/81/49/449108149.db2.gz YIYXAJKQEDUEPZ-TZMCWYRMSA-N 1 2 333.344 1.092 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000593029837 449108151 /nfs/dbraw/zinc/10/81/51/449108151.db2.gz YIYXAJKQEDUEPZ-TZMCWYRMSA-N 1 2 333.344 1.092 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000597846978 449121257 /nfs/dbraw/zinc/12/12/57/449121257.db2.gz MODVEQXQMZBAFB-CYBMUJFWSA-N 1 2 332.360 1.818 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595765057 449155195 /nfs/dbraw/zinc/15/51/95/449155195.db2.gz WVXPOSCWFXTRBI-CHWSQXEVSA-N 1 2 341.433 1.930 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595765057 449155198 /nfs/dbraw/zinc/15/51/98/449155198.db2.gz WVXPOSCWFXTRBI-CHWSQXEVSA-N 1 2 341.433 1.930 20 5 EDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600069230 449169928 /nfs/dbraw/zinc/16/99/28/449169928.db2.gz PPWSGBBVHPZJIL-UHFFFAOYSA-N 1 2 345.359 1.064 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000590378435 449139373 /nfs/dbraw/zinc/13/93/73/449139373.db2.gz IKKYJSPNIWNEKK-INIZCTEOSA-N 1 2 336.388 1.958 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COCCO1 ZINC000595743015 449143333 /nfs/dbraw/zinc/14/33/33/449143333.db2.gz PHXAKMWOMRUEON-LLVKDONJSA-N 1 2 343.767 1.534 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COCCO1 ZINC000595743015 449143335 /nfs/dbraw/zinc/14/33/35/449143335.db2.gz PHXAKMWOMRUEON-LLVKDONJSA-N 1 2 343.767 1.534 20 5 EDBDLO Nc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000590570810 449196189 /nfs/dbraw/zinc/19/61/89/449196189.db2.gz CCNYQKVALMIDMD-HNNXBMFYSA-N 1 2 343.387 2.057 20 5 EDBDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611204845 449213042 /nfs/dbraw/zinc/21/30/42/449213042.db2.gz BCRGLHIUYCPXEV-LBPRGKRZSA-N 1 2 336.392 1.640 20 5 EDBDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611204845 449213046 /nfs/dbraw/zinc/21/30/46/449213046.db2.gz BCRGLHIUYCPXEV-LBPRGKRZSA-N 1 2 336.392 1.640 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969189 449251560 /nfs/dbraw/zinc/25/15/60/449251560.db2.gz JSUUXMKQIQCVEM-IUODEOHRSA-N 1 2 348.403 1.865 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969189 449251563 /nfs/dbraw/zinc/25/15/63/449251563.db2.gz JSUUXMKQIQCVEM-IUODEOHRSA-N 1 2 348.403 1.865 20 5 EDBDLO O=C(CN1CCn2cc[nH+]c2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604558885 449255903 /nfs/dbraw/zinc/25/59/03/449255903.db2.gz DQYDKKHREZWTPM-UHFFFAOYSA-N 1 2 327.344 1.196 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000598190651 449287419 /nfs/dbraw/zinc/28/74/19/449287419.db2.gz VJWRRJBDTCEIEE-ATCWAGBWSA-N 1 2 344.371 1.869 20 5 EDBDLO C[C@]12COC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000598234142 449302906 /nfs/dbraw/zinc/30/29/06/449302906.db2.gz XNEINZRMHOFASQ-DYVFJYSZSA-N 1 2 342.355 1.889 20 5 EDBDLO C[C@@H](c1nccc(N)n1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593966689 449307332 /nfs/dbraw/zinc/30/73/32/449307332.db2.gz QYQJEACBWIOAJJ-QWRGUYRKSA-N 1 2 329.364 1.609 20 5 EDBDLO C[C@@H](c1nccc(N)n1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593966689 449307340 /nfs/dbraw/zinc/30/73/40/449307340.db2.gz QYQJEACBWIOAJJ-QWRGUYRKSA-N 1 2 329.364 1.609 20 5 EDBDLO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccon1 ZINC000590757338 449276574 /nfs/dbraw/zinc/27/65/74/449276574.db2.gz XWCHNJILLXCNNT-CYBMUJFWSA-N 1 2 330.344 2.401 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1ccon1 ZINC000590757338 449276578 /nfs/dbraw/zinc/27/65/78/449276578.db2.gz XWCHNJILLXCNNT-CYBMUJFWSA-N 1 2 330.344 2.401 20 5 EDBDLO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000593918166 449285504 /nfs/dbraw/zinc/28/55/04/449285504.db2.gz BBMUMLHEINQFMR-XPKDYRNWSA-N 1 2 349.387 1.801 20 5 EDBDLO COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000594108916 449357664 /nfs/dbraw/zinc/35/76/64/449357664.db2.gz INGGLXOHKDECCN-UHFFFAOYSA-N 1 2 330.344 1.937 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615777 449360477 /nfs/dbraw/zinc/36/04/77/449360477.db2.gz CVBLNUUBXXQCJF-UHFFFAOYSA-N 1 2 335.408 1.255 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615777 449360479 /nfs/dbraw/zinc/36/04/79/449360479.db2.gz CVBLNUUBXXQCJF-UHFFFAOYSA-N 1 2 335.408 1.255 20 5 EDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594405260 449496747 /nfs/dbraw/zinc/49/67/47/449496747.db2.gz VYHJDEYPFQCKMX-SDDRHHMPSA-N 1 2 337.376 1.528 20 5 EDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594405260 449496752 /nfs/dbraw/zinc/49/67/52/449496752.db2.gz VYHJDEYPFQCKMX-SDDRHHMPSA-N 1 2 337.376 1.528 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596428031 449498451 /nfs/dbraw/zinc/49/84/51/449498451.db2.gz GRQMKLLWKPTTQD-MNOVXSKESA-N 1 2 338.364 1.298 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596428031 449498455 /nfs/dbraw/zinc/49/84/55/449498455.db2.gz GRQMKLLWKPTTQD-MNOVXSKESA-N 1 2 338.364 1.298 20 5 EDBDLO COc1c(C)[nH+]cnc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594584521 449584635 /nfs/dbraw/zinc/58/46/35/449584635.db2.gz ROVNNEGJSXRKSP-UHFFFAOYSA-N 1 2 330.348 1.423 20 5 EDBDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000594508506 449558544 /nfs/dbraw/zinc/55/85/44/449558544.db2.gz CLEKLRRUWHXLNV-VXGBXAGGSA-N 1 2 348.411 1.806 20 5 EDBDLO COc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000598944537 449662677 /nfs/dbraw/zinc/66/26/77/449662677.db2.gz 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Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000601341814 449850964 /nfs/dbraw/zinc/85/09/64/449850964.db2.gz JVRAZJHGHIYCJU-CYBMUJFWSA-N 1 2 349.359 1.364 20 5 EDBDLO COc1cc(C[NH+]2CCN(c3nnc(C)n3C)CC2)ccc1[N+](=O)[O-] ZINC000602942900 449945234 /nfs/dbraw/zinc/94/52/34/449945234.db2.gz LZAVCIHYJGFBEW-UHFFFAOYSA-N 1 2 346.391 1.363 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602907246 449911729 /nfs/dbraw/zinc/91/17/29/449911729.db2.gz LMIWSBQSBFUJEA-HIFRSBDPSA-N 1 2 331.376 1.957 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602907246 449911739 /nfs/dbraw/zinc/91/17/39/449911739.db2.gz LMIWSBQSBFUJEA-HIFRSBDPSA-N 1 2 331.376 1.957 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1[N+](=O)[O-] ZINC000609131488 449963848 /nfs/dbraw/zinc/96/38/48/449963848.db2.gz QUGUHCPJCOCELI-AWEZNQCLSA-N 1 2 346.391 1.858 20 5 EDBDLO O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599430606 449970415 /nfs/dbraw/zinc/97/04/15/449970415.db2.gz XHVVQMHSBNRQDC-UHFFFAOYSA-N 1 2 345.315 1.043 20 5 EDBDLO CCN1OC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000595330511 450045313 /nfs/dbraw/zinc/04/53/13/450045313.db2.gz KHNYALRYEPFGIS-HNNXBMFYSA-N 1 2 335.360 1.600 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000599641386 450122046 /nfs/dbraw/zinc/12/20/46/450122046.db2.gz GZXHEUMWQOYCLH-UKRRQHHQSA-N 1 2 328.340 1.395 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000599641386 450122047 /nfs/dbraw/zinc/12/20/47/450122047.db2.gz GZXHEUMWQOYCLH-UKRRQHHQSA-N 1 2 328.340 1.395 20 5 EDBDLO C[N@H+](CCO)Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603220365 450153023 /nfs/dbraw/zinc/15/30/23/450153023.db2.gz YPFUDVCTFQVOBB-UHFFFAOYSA-N 1 2 325.756 1.312 20 5 EDBDLO C[N@@H+](CCO)Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603220365 450153030 /nfs/dbraw/zinc/15/30/30/450153030.db2.gz YPFUDVCTFQVOBB-UHFFFAOYSA-N 1 2 325.756 1.312 20 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450191320 /nfs/dbraw/zinc/19/13/20/450191320.db2.gz SAXAWNWJONLDQN-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000597679720 450191327 /nfs/dbraw/zinc/19/13/27/450191327.db2.gz SAXAWNWJONLDQN-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO COCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1 ZINC000618831205 450317042 /nfs/dbraw/zinc/31/70/42/450317042.db2.gz FTWDHJQDOOZPCQ-CYBMUJFWSA-N 1 2 338.360 1.603 20 5 EDBDLO COCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1 ZINC000618831205 450317047 /nfs/dbraw/zinc/31/70/47/450317047.db2.gz FTWDHJQDOOZPCQ-CYBMUJFWSA-N 1 2 338.360 1.603 20 5 EDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610885674 450368327 /nfs/dbraw/zinc/36/83/27/450368327.db2.gz XWABKOGHNLYFDT-LBPRGKRZSA-N 1 2 333.352 1.035 20 5 EDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000183599785 534425260 /nfs/dbraw/zinc/42/52/60/534425260.db2.gz AXTQNFQWKLQPFI-LLVKDONJSA-N 1 2 328.332 1.785 20 5 EDBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552466 534928302 /nfs/dbraw/zinc/92/83/02/534928302.db2.gz MPOZNRSPSYFMBP-ZDUSSCGKSA-N 1 2 337.376 1.563 20 5 EDBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552466 534928307 /nfs/dbraw/zinc/92/83/07/534928307.db2.gz MPOZNRSPSYFMBP-ZDUSSCGKSA-N 1 2 337.376 1.563 20 5 EDBDLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331045994 534942575 /nfs/dbraw/zinc/94/25/75/534942575.db2.gz HVIBFXDTOAQHSO-SFDCACGMSA-N 1 2 342.417 1.177 20 5 EDBDLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331045994 534942583 /nfs/dbraw/zinc/94/25/83/534942583.db2.gz HVIBFXDTOAQHSO-SFDCACGMSA-N 1 2 342.417 1.177 20 5 EDBDLO COCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270417308 536828791 /nfs/dbraw/zinc/82/87/91/536828791.db2.gz YYHMXOVGPGPOBR-LBPRGKRZSA-N 1 2 337.376 1.395 20 5 EDBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000729336914 578564163 /nfs/dbraw/zinc/56/41/63/578564163.db2.gz AYZZPBMQSGXCNP-ZDUSSCGKSA-N 1 2 334.380 1.609 20 5 EDBDLO C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000729647417 578586424 /nfs/dbraw/zinc/58/64/24/578586424.db2.gz OMBNVHOQAFOJDD-RYUDHWBXSA-N 1 2 338.433 1.990 20 5 EDBDLO CCOCC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000735278137 578873537 /nfs/dbraw/zinc/87/35/37/578873537.db2.gz LEUPSNILBSWBFQ-LBPRGKRZSA-N 1 2 339.367 1.917 20 5 EDBDLO CCOCC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000735278137 578873538 /nfs/dbraw/zinc/87/35/38/578873538.db2.gz LEUPSNILBSWBFQ-LBPRGKRZSA-N 1 2 339.367 1.917 20 5 EDBDLO CN1CC[C@H]([N@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1=O ZINC000738270069 579180126 /nfs/dbraw/zinc/18/01/26/579180126.db2.gz UXNZAYZKUZUQHG-HNNXBMFYSA-N 1 2 329.360 1.578 20 5 EDBDLO CN1CC[C@H]([N@@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1=O ZINC000738270069 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333.797 1.501 20 5 EDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000754834460 579913894 /nfs/dbraw/zinc/91/38/94/579913894.db2.gz LCLLVISBRHRVAT-UHFFFAOYSA-N 1 2 343.811 1.375 20 5 EDBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)CCN2CCOCC2)c1 ZINC000754834460 579913895 /nfs/dbraw/zinc/91/38/95/579913895.db2.gz LCLLVISBRHRVAT-UHFFFAOYSA-N 1 2 343.811 1.375 20 5 EDBDLO O=[N+]([O-])c1ccc(Cl)c(CN(CCO)CC[NH+]2CCOCC2)c1 ZINC000754834460 579913896 /nfs/dbraw/zinc/91/38/96/579913896.db2.gz LCLLVISBRHRVAT-UHFFFAOYSA-N 1 2 343.811 1.375 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756890646 579959612 /nfs/dbraw/zinc/95/96/12/579959612.db2.gz UBJRMEQUPJGTPD-DGCLKSJQSA-N 1 2 345.355 1.649 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756890646 579959613 /nfs/dbraw/zinc/95/96/13/579959613.db2.gz UBJRMEQUPJGTPD-DGCLKSJQSA-N 1 2 345.355 1.649 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 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JCHHTPLZMHGRBI-LBPRGKRZSA-N 1 2 337.767 1.718 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000786878241 580682559 /nfs/dbraw/zinc/68/25/59/580682559.db2.gz CHXVICFHZPBLJV-UHFFFAOYSA-N 1 2 343.265 1.866 20 5 EDBDLO Cc1cc(F)cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000790131184 580763001 /nfs/dbraw/zinc/76/30/01/580763001.db2.gz GCABWSGOXAEXLL-GFCCVEGCSA-N 1 2 339.367 1.835 20 5 EDBDLO C[N@H+](C[C@H]1CCCOC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794626970 580900206 /nfs/dbraw/zinc/90/02/06/580900206.db2.gz YUVRKLRREYLSJW-GFCCVEGCSA-N 1 2 348.359 1.727 20 5 EDBDLO C[N@@H+](C[C@H]1CCCOC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794626970 580900207 /nfs/dbraw/zinc/90/02/07/580900207.db2.gz YUVRKLRREYLSJW-GFCCVEGCSA-N 1 2 348.359 1.727 20 5 EDBDLO CCOc1cc(N2CC[NH+](Cn3cnnc3)CC2)ccc1[N+](=O)[O-] ZINC000794675319 580902376 /nfs/dbraw/zinc/90/23/76/580902376.db2.gz XMQYRTUNJHWXOK-UHFFFAOYSA-N 1 2 332.364 1.365 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794972645 580909553 /nfs/dbraw/zinc/90/95/53/580909553.db2.gz LYZWFFYAPXQGQA-QQUHWDOBSA-N 1 2 333.344 1.273 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794972645 580909554 /nfs/dbraw/zinc/90/95/54/580909554.db2.gz LYZWFFYAPXQGQA-QQUHWDOBSA-N 1 2 333.344 1.273 20 5 EDBDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795920170 580941232 /nfs/dbraw/zinc/94/12/32/580941232.db2.gz ZUPVVVQJWGIGSE-UHFFFAOYSA-N 1 2 348.743 1.599 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000800136106 581044640 /nfs/dbraw/zinc/04/46/40/581044640.db2.gz KZZQKSNRIZEPTF-LBPRGKRZSA-N 1 2 348.359 1.208 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000800136106 581044641 /nfs/dbraw/zinc/04/46/41/581044641.db2.gz KZZQKSNRIZEPTF-LBPRGKRZSA-N 1 2 348.359 1.208 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800458513 581053315 /nfs/dbraw/zinc/05/33/15/581053315.db2.gz PHGNPNMCBPDJIK-CABCVRRESA-N 1 2 342.417 1.527 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800458513 581053316 /nfs/dbraw/zinc/05/33/16/581053316.db2.gz PHGNPNMCBPDJIK-CABCVRRESA-N 1 2 342.417 1.527 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC000893561207 590961258 /nfs/dbraw/zinc/96/12/58/590961258.db2.gz BMGAYLTUUIGPJJ-BBRMVZONSA-N 1 2 336.344 1.316 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC000893561207 590961260 /nfs/dbraw/zinc/96/12/60/590961260.db2.gz BMGAYLTUUIGPJJ-BBRMVZONSA-N 1 2 336.344 1.316 20 5 EDBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000894181524 591219883 /nfs/dbraw/zinc/21/98/83/591219883.db2.gz NEXZSKLAPLDEFJ-ZBEGNZNMSA-N 1 2 338.360 1.689 20 5 EDBDLO 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ZINC000840028831 593392738 /nfs/dbraw/zinc/39/27/38/593392738.db2.gz CGRVFDYJPQWUOV-BLLLJJGKSA-N 1 2 335.360 1.600 20 5 EDBDLO C[C@H]1COCCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028831 593392740 /nfs/dbraw/zinc/39/27/40/593392740.db2.gz CGRVFDYJPQWUOV-BLLLJJGKSA-N 1 2 335.360 1.600 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811785921 593482041 /nfs/dbraw/zinc/48/20/41/593482041.db2.gz KDJTWRTYLCSBBO-SNVBAGLBSA-N 1 2 349.313 1.448 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811785921 593482042 /nfs/dbraw/zinc/48/20/42/593482042.db2.gz KDJTWRTYLCSBBO-SNVBAGLBSA-N 1 2 349.313 1.448 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2nn[nH]n2)c1 ZINC000823640056 594223849 /nfs/dbraw/zinc/22/38/49/594223849.db2.gz QOFWZCFEENTCIO-MRVPVSSYSA-N 1 2 326.320 1.467 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2nn[nH]n2)c1 ZINC000823640056 594223850 /nfs/dbraw/zinc/22/38/50/594223850.db2.gz QOFWZCFEENTCIO-MRVPVSSYSA-N 1 2 326.320 1.467 20 5 EDBDLO O=[N+]([O-])c1cnc(Sc2[nH+]cc3ccccn32)c(-c2nn[nH]n2)c1 ZINC000823652303 594224967 /nfs/dbraw/zinc/22/49/67/594224967.db2.gz ZGPNVLRXZFFZMK-UHFFFAOYSA-N 1 2 340.328 1.969 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)CC2 ZINC000828202146 594364168 /nfs/dbraw/zinc/36/41/68/594364168.db2.gz XTEOKHCYNAPFTR-UHFFFAOYSA-N 1 2 347.350 1.961 20 5 EDBDLO CC1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000832024725 594720331 /nfs/dbraw/zinc/72/03/31/594720331.db2.gz FSQIVHLJCBYSPC-PEBXRYMYSA-N 1 2 326.418 1.861 20 5 EDBDLO CC1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000832024725 594720332 /nfs/dbraw/zinc/72/03/32/594720332.db2.gz FSQIVHLJCBYSPC-PEBXRYMYSA-N 1 2 326.418 1.861 20 5 EDBDLO COC(=O)C1(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000835369748 594818887 /nfs/dbraw/zinc/81/88/87/594818887.db2.gz JRBLUHUVPNMXSO-UHFFFAOYSA-N 1 2 331.284 1.643 20 5 EDBDLO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000840951006 594831906 /nfs/dbraw/zinc/83/19/06/594831906.db2.gz RECXSCWEAVKBBK-SECBINFHSA-N 1 2 330.391 1.467 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c32)c(C)cc1[N+](=O)[O-] ZINC000841522606 594914704 /nfs/dbraw/zinc/91/47/04/594914704.db2.gz AOMCVCQGDBJHRE-LLVKDONJSA-N 1 2 336.373 1.831 20 5 EDBDLO Cn1c[nH+]cc1CCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000837731545 595181476 /nfs/dbraw/zinc/18/14/76/595181476.db2.gz AUUMEGQKJSOHJZ-UHFFFAOYSA-N 1 2 325.271 1.935 20 5 EDBDLO COCOCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000848170728 595332087 /nfs/dbraw/zinc/33/20/87/595332087.db2.gz BOEHSLAAPQNANR-UHFFFAOYSA-N 1 2 334.332 1.521 20 5 EDBDLO COC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000852767868 595534263 /nfs/dbraw/zinc/53/42/63/595534263.db2.gz JMOKRONQIUTLPN-UHFFFAOYSA-N 1 2 336.348 1.354 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc([N+](=O)[O-])c1 ZINC000857991365 595680797 /nfs/dbraw/zinc/68/07/97/595680797.db2.gz XFDFVJCOBDXFDA-GFCCVEGCSA-N 1 2 330.300 1.453 20 5 EDBDLO Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c([N+](=O)[O-])s1 ZINC000853308756 595732480 /nfs/dbraw/zinc/73/24/80/595732480.db2.gz UYGNSVDFHYRDPJ-UHFFFAOYSA-N 1 2 347.462 1.886 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853490953 595767292 /nfs/dbraw/zinc/76/72/92/595767292.db2.gz JYKXOZQEUNOSQP-LLVKDONJSA-N 1 2 331.332 1.306 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853490953 595767293 /nfs/dbraw/zinc/76/72/93/595767293.db2.gz JYKXOZQEUNOSQP-LLVKDONJSA-N 1 2 331.332 1.306 20 5 EDBDLO C[N@H+](C[C@H]1COCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853558064 595802744 /nfs/dbraw/zinc/80/27/44/595802744.db2.gz QIXFOOJKRVAYCB-LBPRGKRZSA-N 1 2 333.348 1.158 20 5 EDBDLO C[N@@H+](C[C@H]1COCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853558064 595802748 /nfs/dbraw/zinc/80/27/48/595802748.db2.gz QIXFOOJKRVAYCB-LBPRGKRZSA-N 1 2 333.348 1.158 20 5 EDBDLO Cc1noc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c1[N+](=O)[O-] ZINC000856797286 596085024 /nfs/dbraw/zinc/08/50/24/596085024.db2.gz FDNFVHAZTDKEMN-OAHLLOKOSA-N 1 2 335.364 1.570 20 5 EDBDLO CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2ccc[nH+]c21 ZINC000867898685 596607707 /nfs/dbraw/zinc/60/77/07/596607707.db2.gz LUQCBZNQFSEZKS-UHFFFAOYSA-N 1 2 348.384 1.631 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871760041 596687732 /nfs/dbraw/zinc/68/77/32/596687732.db2.gz DILPKLARRNJUKU-NSHDSACASA-N 1 2 340.355 1.966 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871760041 596687736 /nfs/dbraw/zinc/68/77/36/596687736.db2.gz DILPKLARRNJUKU-NSHDSACASA-N 1 2 340.355 1.966 20 5 EDBDLO C[C@@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000874625748 597131259 /nfs/dbraw/zinc/13/12/59/597131259.db2.gz ZUYCPIBCVAUOSN-IAQYHMDHSA-N 1 2 331.376 1.808 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000874706840 597151341 /nfs/dbraw/zinc/15/13/41/597151341.db2.gz ZEFNZEQZTZXTCN-HIFRSBDPSA-N 1 2 335.404 1.925 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000874706840 597151344 /nfs/dbraw/zinc/15/13/44/597151344.db2.gz ZEFNZEQZTZXTCN-HIFRSBDPSA-N 1 2 335.404 1.925 20 5 EDBDLO O=C(NC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000125990057 597222128 /nfs/dbraw/zinc/22/21/28/597222128.db2.gz ZXZULYSOXXORND-UHFFFAOYSA-N 1 2 335.408 1.910 20 5 EDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877793584 597558037 /nfs/dbraw/zinc/55/80/37/597558037.db2.gz OZEBCPGQDKPJIR-OGCZOTBESA-N 1 2 336.413 1.975 20 5 EDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877793584 597558038 /nfs/dbraw/zinc/55/80/38/597558038.db2.gz OZEBCPGQDKPJIR-OGCZOTBESA-N 1 2 336.413 1.975 20 5 EDBDLO C[S@@](=N)(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879942725 597777140 /nfs/dbraw/zinc/77/71/40/597777140.db2.gz PXFFHJQMQHUWRA-QHCPKHFHSA-N 1 2 342.421 1.573 20 5 EDBDLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000880305544 597896698 /nfs/dbraw/zinc/89/66/98/597896698.db2.gz WSCMADOUEQKFBT-ZDUSSCGKSA-N 1 2 347.293 1.847 20 5 EDBDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000880305544 597896699 /nfs/dbraw/zinc/89/66/99/597896699.db2.gz WSCMADOUEQKFBT-ZDUSSCGKSA-N 1 2 347.293 1.847 20 5 EDBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194334515 696130343 /nfs/dbraw/zinc/13/03/43/696130343.db2.gz MHNIIXZJGNTQIQ-UHFFFAOYSA-N 1 2 345.396 1.696 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nc(C3CC3)no2)c1 ZINC000917014176 696877257 /nfs/dbraw/zinc/87/72/57/696877257.db2.gz XMCSRGIBVKLKBL-LBPRGKRZSA-N 1 2 334.332 1.385 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000444662520 697112714 /nfs/dbraw/zinc/11/27/14/697112714.db2.gz JNOFYHJOZXSFDW-LLVKDONJSA-N 1 2 332.364 1.390 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000918585728 697185615 /nfs/dbraw/zinc/18/56/15/697185615.db2.gz WFYXXMMQEZMKJT-NSHDSACASA-N 1 2 328.332 1.346 20 5 EDBDLO Cc1nn(CN2CC[NH+](Cc3ccncc3)CC2)c(C)c1[N+](=O)[O-] ZINC000032533174 707586500 /nfs/dbraw/zinc/58/65/00/707586500.db2.gz MEUXUEQSSOHWLE-UHFFFAOYSA-N 1 2 330.392 1.578 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C2(C)CCCC2)CC1 ZINC001003396798 710313137 /nfs/dbraw/zinc/31/31/37/710313137.db2.gz YEAIBQJAULUYCR-UHFFFAOYSA-N 1 2 349.435 1.989 20 5 EDBDLO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000104599508 219398520 /nfs/dbraw/zinc/39/85/20/219398520.db2.gz SMSYYRLDDRCUGX-VXGBXAGGSA-N 1 2 346.387 1.915 20 5 EDBDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092382271 283085809 /nfs/dbraw/zinc/08/58/09/283085809.db2.gz DMZDCXMYMMCZRT-UHFFFAOYSA-N 1 2 339.392 1.912 20 5 EDBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092382271 283085810 /nfs/dbraw/zinc/08/58/10/283085810.db2.gz DMZDCXMYMMCZRT-UHFFFAOYSA-N 1 2 339.392 1.912 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000125697419 138335687 /nfs/dbraw/zinc/33/56/87/138335687.db2.gz UIVNRWWLKIOEOE-UHFFFAOYSA-N 1 2 344.780 1.813 20 5 EDBDLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000365007417 283318934 /nfs/dbraw/zinc/31/89/34/283318934.db2.gz IXJAGSOJGWEONY-AWEZNQCLSA-N 1 2 334.420 1.718 20 5 EDBDLO CNC(=O)C[N@H+]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000365007417 283318936 /nfs/dbraw/zinc/31/89/36/283318936.db2.gz IXJAGSOJGWEONY-AWEZNQCLSA-N 1 2 334.420 1.718 20 5 EDBDLO C[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)n1cc[nH+]c1 ZINC000567992197 306468825 /nfs/dbraw/zinc/46/88/25/306468825.db2.gz LAUOMCOBJYHHLH-LBPRGKRZSA-N 1 2 332.364 1.803 20 5 EDBDLO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261754977 139223351 /nfs/dbraw/zinc/22/33/51/139223351.db2.gz VBLMGYCIWFRMAT-ZXIHIIQKSA-N 1 2 335.360 1.771 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000416990110 251118836 /nfs/dbraw/zinc/11/88/36/251118836.db2.gz FBQCAUSAQCHIDL-OCCSQVGLSA-N 1 2 336.348 1.150 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000416990110 251118839 /nfs/dbraw/zinc/11/88/39/251118839.db2.gz FBQCAUSAQCHIDL-OCCSQVGLSA-N 1 2 336.348 1.150 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](O)C1CCC1 ZINC000450918428 254701804 /nfs/dbraw/zinc/70/18/04/254701804.db2.gz IPUJQEDSLYXNNI-KRWDZBQOSA-N 1 2 335.404 2.000 20 5 EDBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccn(C)n1 ZINC000459791404 255001676 /nfs/dbraw/zinc/00/16/76/255001676.db2.gz NIUDGVYZWUCDCD-NSHDSACASA-N 1 2 329.360 1.568 20 5 EDBDLO COCCO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000189659292 533197462 /nfs/dbraw/zinc/19/74/62/533197462.db2.gz NBKSGBIHJXRIAA-HNNXBMFYSA-N 1 2 337.376 1.295 20 5 EDBDLO COCCO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000189659292 533197467 /nfs/dbraw/zinc/19/74/67/533197467.db2.gz NBKSGBIHJXRIAA-HNNXBMFYSA-N 1 2 337.376 1.295 20 5 EDBDLO CC[N@@H+]1CCC[C@@H]1CN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271392486 140289661 /nfs/dbraw/zinc/28/96/61/140289661.db2.gz MFQJBOXSCBCSCN-SNVBAGLBSA-N 1 2 347.462 1.980 20 5 EDBDLO CC[N@H+]1CCC[C@@H]1CN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271392486 140289662 /nfs/dbraw/zinc/28/96/62/140289662.db2.gz MFQJBOXSCBCSCN-SNVBAGLBSA-N 1 2 347.462 1.980 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000331897867 141095343 /nfs/dbraw/zinc/09/53/43/141095343.db2.gz BODFWLLENMIBKE-HZPDHXFCSA-N 1 2 348.403 1.252 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000331897867 141095344 /nfs/dbraw/zinc/09/53/44/141095344.db2.gz BODFWLLENMIBKE-HZPDHXFCSA-N 1 2 348.403 1.252 20 5 EDBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998971 141108663 /nfs/dbraw/zinc/10/86/63/141108663.db2.gz NNTXQWKQLIGCLQ-WOZUBWMWSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998971 141108664 /nfs/dbraw/zinc/10/86/64/141108664.db2.gz NNTXQWKQLIGCLQ-WOZUBWMWSA-N 1 2 342.417 1.177 20 5 EDBDLO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)C1 ZINC000572156770 306582437 /nfs/dbraw/zinc/58/24/37/306582437.db2.gz XRUAPYDOVLVYPD-BBRMVZONSA-N 1 2 349.387 1.659 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCO)CC1 ZINC000339779743 142153757 /nfs/dbraw/zinc/15/37/57/142153757.db2.gz GOEJOORIKSLJCZ-LBPRGKRZSA-N 1 2 337.376 1.395 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](CCO)C1 ZINC000340267771 142325532 /nfs/dbraw/zinc/32/55/32/142325532.db2.gz LKPOWUAPDLZCPA-GFCCVEGCSA-N 1 2 330.344 1.625 20 5 EDBDLO CO[C@@H]1C[C@H](CO)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000344702582 143000560 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ZINC000361191925 152331090 /nfs/dbraw/zinc/33/10/90/152331090.db2.gz ROWDBROQYDJGMW-IRXDYDNUSA-N 1 2 341.367 1.713 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])C2)cc(OC)c1 ZINC000364054153 153133081 /nfs/dbraw/zinc/13/30/81/153133081.db2.gz PGOJBFDQASOKFR-VBNZEHGJSA-N 1 2 349.387 1.060 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])C2)cc(OC)c1 ZINC000364054153 153133082 /nfs/dbraw/zinc/13/30/82/153133082.db2.gz PGOJBFDQASOKFR-VBNZEHGJSA-N 1 2 349.387 1.060 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000364629731 153289640 /nfs/dbraw/zinc/28/96/40/153289640.db2.gz LNOXOESYBQEJFZ-UHFFFAOYSA-N 1 2 331.332 1.927 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000129518130 292286953 /nfs/dbraw/zinc/28/69/53/292286953.db2.gz BITNTONVEKGKMO-AWEZNQCLSA-N 1 2 347.419 1.431 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000350969591 292294537 /nfs/dbraw/zinc/29/45/37/292294537.db2.gz FIHFKWYFGPDASI-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000350969591 292294538 /nfs/dbraw/zinc/29/45/38/292294538.db2.gz FIHFKWYFGPDASI-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000367250991 154053834 /nfs/dbraw/zinc/05/38/34/154053834.db2.gz BJSOPIUCJYZKLW-SECBINFHSA-N 1 2 333.323 1.505 20 5 EDBDLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000367254615 154055006 /nfs/dbraw/zinc/05/50/06/154055006.db2.gz HWHDUMITWGNFLD-GFCCVEGCSA-N 1 2 327.344 1.784 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367899090 154317647 /nfs/dbraw/zinc/31/76/47/154317647.db2.gz GMPHIRHRGQDRCU-LLVKDONJSA-N 1 2 349.359 1.385 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000369371514 155000031 /nfs/dbraw/zinc/00/00/31/155000031.db2.gz WDWCUCRXTMXUHV-GFCCVEGCSA-N 1 2 329.360 1.930 20 5 EDBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000369498108 155059007 /nfs/dbraw/zinc/05/90/07/155059007.db2.gz AJTBNONHMYSFMI-ZDUSSCGKSA-N 1 2 343.387 1.924 20 5 EDBDLO CN(C)c1noc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000374528004 157317707 /nfs/dbraw/zinc/31/77/07/157317707.db2.gz DFKCLCFRWPCEKW-GFCCVEGCSA-N 1 2 348.363 1.043 20 5 EDBDLO CN(C)c1noc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000374528004 157317709 /nfs/dbraw/zinc/31/77/09/157317709.db2.gz DFKCLCFRWPCEKW-GFCCVEGCSA-N 1 2 348.363 1.043 20 5 EDBDLO NC(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000378040931 158063307 /nfs/dbraw/zinc/06/33/07/158063307.db2.gz MBYNYZSRXDPJTK-UHFFFAOYSA-N 1 2 338.327 1.887 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000407970081 158230034 /nfs/dbraw/zinc/23/00/34/158230034.db2.gz AUBGXWTXJKOJIP-ZDUSSCGKSA-N 1 2 339.417 1.762 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000407970081 158230036 /nfs/dbraw/zinc/23/00/36/158230036.db2.gz AUBGXWTXJKOJIP-ZDUSSCGKSA-N 1 2 339.417 1.762 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CCO)CC2CC2)cc1 ZINC000352466164 162197754 /nfs/dbraw/zinc/19/77/54/162197754.db2.gz AUBDVMIIVFSPCI-UHFFFAOYSA-N 1 2 328.390 1.073 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCO)CC2CC2)cc1 ZINC000352466164 162197757 /nfs/dbraw/zinc/19/77/57/162197757.db2.gz AUBDVMIIVFSPCI-UHFFFAOYSA-N 1 2 328.390 1.073 20 5 EDBDLO O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191161894 272979267 /nfs/dbraw/zinc/97/92/67/272979267.db2.gz HVKDRSWQXVGSNL-DGCLKSJQSA-N 1 2 330.344 1.671 20 5 EDBDLO Cc1c(OS(=O)(=O)CCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000274155542 268110870 /nfs/dbraw/zinc/11/08/70/268110870.db2.gz DKBBDXCIBKLTEZ-UHFFFAOYSA-N 1 2 344.389 1.334 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274299087 273083315 /nfs/dbraw/zinc/08/33/15/273083315.db2.gz SWZXAUQUHUTTDL-NSHDSACASA-N 1 2 345.359 1.552 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000276051346 273144135 /nfs/dbraw/zinc/14/41/35/273144135.db2.gz SWQMCBUEJZGVHM-HNNXBMFYSA-N 1 2 341.371 1.731 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000276051346 273144136 /nfs/dbraw/zinc/14/41/36/273144136.db2.gz SWQMCBUEJZGVHM-HNNXBMFYSA-N 1 2 341.371 1.731 20 5 EDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000277903705 273233321 /nfs/dbraw/zinc/23/33/21/273233321.db2.gz LXZPGLDRWDGDPW-UHFFFAOYSA-N 1 2 339.779 1.843 20 5 EDBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000279253187 273289275 /nfs/dbraw/zinc/28/92/75/273289275.db2.gz IBRLQLVTKYKKAS-AWEZNQCLSA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000279438560 273297668 /nfs/dbraw/zinc/29/76/68/273297668.db2.gz ZPUYLUWPULXRLM-ZDUSSCGKSA-N 1 2 337.376 1.153 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000279675077 273316921 /nfs/dbraw/zinc/31/69/21/273316921.db2.gz NWHAFTGYRMRAQV-NHYWBVRUSA-N 1 2 337.332 1.883 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCO2 ZINC000279675077 273316922 /nfs/dbraw/zinc/31/69/22/273316922.db2.gz NWHAFTGYRMRAQV-NHYWBVRUSA-N 1 2 337.332 1.883 20 5 EDBDLO CN(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1c[nH+]cn1C ZINC000280774269 273396747 /nfs/dbraw/zinc/39/67/47/273396747.db2.gz CBDROAFHTBZMIS-OAHLLOKOSA-N 1 2 331.376 1.290 20 5 EDBDLO Cc1cc(OCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284099035 274079302 /nfs/dbraw/zinc/07/93/02/274079302.db2.gz NNLYJQTULJVBKW-CVEARBPZSA-N 1 2 349.387 1.214 20 5 EDBDLO Cc1cc(OCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284099035 274079303 /nfs/dbraw/zinc/07/93/03/274079303.db2.gz NNLYJQTULJVBKW-CVEARBPZSA-N 1 2 349.387 1.214 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000284559531 274244622 /nfs/dbraw/zinc/24/46/22/274244622.db2.gz QJDRWRPXPJACSJ-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000284559531 274244623 /nfs/dbraw/zinc/24/46/23/274244623.db2.gz QJDRWRPXPJACSJ-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286490100 288018093 /nfs/dbraw/zinc/01/80/93/288018093.db2.gz XGELSAWXYVAVLU-ZYHUDNBSSA-N 1 2 326.784 1.943 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000413180485 280380951 /nfs/dbraw/zinc/38/09/51/280380951.db2.gz VNBKQKLMAGEXED-JTQLQIEISA-N 1 2 346.309 1.920 20 5 EDBDLO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000287438626 288238713 /nfs/dbraw/zinc/23/87/13/288238713.db2.gz QZDKNWYMXSSZOO-OLZOCXBDSA-N 1 2 348.403 1.421 20 5 EDBDLO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000287438632 288238737 /nfs/dbraw/zinc/23/87/37/288238737.db2.gz QZDKNWYMXSSZOO-STQMWFEESA-N 1 2 348.403 1.421 20 5 EDBDLO CC(C)[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000287929234 288359194 /nfs/dbraw/zinc/35/91/94/288359194.db2.gz PJOZSWNDAPVHAR-MRXNPFEDSA-N 1 2 345.359 1.410 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289530977 288722953 /nfs/dbraw/zinc/72/29/53/288722953.db2.gz LXAXDVNDKKCCSY-UHFFFAOYSA-N 1 2 340.336 1.443 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1F ZINC000289666768 288755754 /nfs/dbraw/zinc/75/57/54/288755754.db2.gz UOSNGIUFBMAWJR-UHFFFAOYSA-N 1 2 340.336 1.443 20 5 EDBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292170076 289280404 /nfs/dbraw/zinc/28/04/04/289280404.db2.gz LTBJKTFGDRATRY-GFCCVEGCSA-N 1 2 347.824 1.714 20 5 EDBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292170076 289280407 /nfs/dbraw/zinc/28/04/07/289280407.db2.gz LTBJKTFGDRATRY-GFCCVEGCSA-N 1 2 347.824 1.714 20 5 EDBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264186547 289347758 /nfs/dbraw/zinc/34/77/58/289347758.db2.gz DAZJIIKELRVLAT-CYBMUJFWSA-N 1 2 347.419 1.559 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000367888922 301552036 /nfs/dbraw/zinc/55/20/36/301552036.db2.gz XEMDNYPLXXCDKY-JTQLQIEISA-N 1 2 349.359 1.439 20 5 EDBDLO Cn1nc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)nc1N ZINC000295480520 303225098 /nfs/dbraw/zinc/22/50/98/303225098.db2.gz YPSRGBXNPOMCLU-CYBMUJFWSA-N 1 2 332.364 1.521 20 5 EDBDLO Cn1nc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)nc1N ZINC000295480520 303225100 /nfs/dbraw/zinc/22/51/00/303225100.db2.gz YPSRGBXNPOMCLU-CYBMUJFWSA-N 1 2 332.364 1.521 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302569651 303726748 /nfs/dbraw/zinc/72/67/48/303726748.db2.gz YLLHVAPCNCCYLF-SECBINFHSA-N 1 2 345.197 1.255 20 5 EDBDLO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+]1CCOCC1 ZINC000428724736 305015814 /nfs/dbraw/zinc/01/58/14/305015814.db2.gz QNSMYUSOIDZEPZ-CYBMUJFWSA-N 1 2 333.388 1.807 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000436034772 305151211 /nfs/dbraw/zinc/15/12/11/305151211.db2.gz PALPSSBMAVUDBZ-LLVKDONJSA-N 1 2 330.344 1.967 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncnn3CCF)C2)nc1 ZINC000440768964 305212556 /nfs/dbraw/zinc/21/25/56/305212556.db2.gz YXABMXQHJAXPPP-NSHDSACASA-N 1 2 335.343 1.237 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncnn3CCF)C2)nc1 ZINC000440768964 305212557 /nfs/dbraw/zinc/21/25/57/305212557.db2.gz YXABMXQHJAXPPP-NSHDSACASA-N 1 2 335.343 1.237 20 5 EDBDLO COC(=O)CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448804076 305302218 /nfs/dbraw/zinc/30/22/18/305302218.db2.gz HAQBZKFFQJYZFT-UHFFFAOYSA-N 1 2 346.343 1.854 20 5 EDBDLO CC[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448930459 305304515 /nfs/dbraw/zinc/30/45/15/305304515.db2.gz RHORYGLNPDSLIC-LBPRGKRZSA-N 1 2 343.343 1.131 20 5 EDBDLO C/C=C\C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450715047 305331281 /nfs/dbraw/zinc/33/12/81/305331281.db2.gz WQOADVGIASVYRR-ZRMMWKCHSA-N 1 2 330.344 1.837 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451441483 305346664 /nfs/dbraw/zinc/34/66/64/305346664.db2.gz YVCJONJGVLNZOY-XPTSAGLGSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451441483 305346665 /nfs/dbraw/zinc/34/66/65/305346665.db2.gz YVCJONJGVLNZOY-XPTSAGLGSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451457921 305347827 /nfs/dbraw/zinc/34/78/27/305347827.db2.gz MIJQQIVFHXRLFF-PWSUYJOCSA-N 1 2 343.343 1.177 20 5 EDBDLO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000451947175 305373202 /nfs/dbraw/zinc/37/32/02/305373202.db2.gz OSFRMBGWDHPYKC-MFKMUULPSA-N 1 2 336.373 1.917 20 5 EDBDLO COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541055378 306043756 /nfs/dbraw/zinc/04/37/56/306043756.db2.gz YANOBLSZSDFPBL-AWEZNQCLSA-N 1 2 345.355 1.865 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000544518388 306075847 /nfs/dbraw/zinc/07/58/47/306075847.db2.gz XEGNGHRXEPNISF-VIFPVBQESA-N 1 2 349.347 1.974 20 5 EDBDLO COc1ccc(Cc2nc([C@H]3C[N@H+](C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546500564 306092652 /nfs/dbraw/zinc/09/26/52/306092652.db2.gz OFBQQPGVIDMSQG-CYBMUJFWSA-N 1 2 347.375 1.496 20 5 EDBDLO COc1ccc(Cc2nc([C@H]3C[N@@H+](C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546500564 306092653 /nfs/dbraw/zinc/09/26/53/306092653.db2.gz OFBQQPGVIDMSQG-CYBMUJFWSA-N 1 2 347.375 1.496 20 5 EDBDLO COc1cccc([C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000044380670 440842568 /nfs/dbraw/zinc/84/25/68/440842568.db2.gz UMUMXUMTEOQFAW-RDBSUJKOSA-N 1 2 330.344 1.300 20 5 EDBDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000044622429 440862868 /nfs/dbraw/zinc/86/28/68/440862868.db2.gz QOZHPYQVXMFYOT-MRXNPFEDSA-N 1 2 344.371 1.726 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073019111 441286008 /nfs/dbraw/zinc/28/60/08/441286008.db2.gz SODRTONAYWDELG-NSHDSACASA-N 1 2 346.343 1.310 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000049017003 441341998 /nfs/dbraw/zinc/34/19/98/441341998.db2.gz LGENBMRUFMEDJC-UHFFFAOYSA-N 1 2 343.343 1.465 20 5 EDBDLO O=C(C[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000083444323 441361186 /nfs/dbraw/zinc/36/11/86/441361186.db2.gz HUVAJXZEJDXFSO-UHFFFAOYSA-N 1 2 330.348 1.531 20 5 EDBDLO COc1ccnc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000049981722 441368056 /nfs/dbraw/zinc/36/80/56/441368056.db2.gz KRRPQYKLMAFLNM-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197031 441370620 /nfs/dbraw/zinc/37/06/20/441370620.db2.gz VZYUCYIKMVQAHT-JSGCOSHPSA-N 1 2 333.388 1.983 20 5 EDBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000026197031 441370622 /nfs/dbraw/zinc/37/06/22/441370622.db2.gz VZYUCYIKMVQAHT-JSGCOSHPSA-N 1 2 333.388 1.983 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065836476 441488827 /nfs/dbraw/zinc/48/88/27/441488827.db2.gz OVWXNRIAQFMKDV-UHFFFAOYSA-N 1 2 327.344 1.942 20 5 EDBDLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605383 441515666 /nfs/dbraw/zinc/51/56/66/441515666.db2.gz QLDUVDAITISHMV-CYBMUJFWSA-N 1 2 335.404 1.884 20 5 EDBDLO CCOCCCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605383 441515671 /nfs/dbraw/zinc/51/56/71/441515671.db2.gz QLDUVDAITISHMV-CYBMUJFWSA-N 1 2 335.404 1.884 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000066695666 441561631 /nfs/dbraw/zinc/56/16/31/441561631.db2.gz NUTZZICEKBUUMS-ZDUSSCGKSA-N 1 2 332.404 1.552 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000066695666 441561635 /nfs/dbraw/zinc/56/16/35/441561635.db2.gz NUTZZICEKBUUMS-ZDUSSCGKSA-N 1 2 332.404 1.552 20 5 EDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174125 441563102 /nfs/dbraw/zinc/56/31/02/441563102.db2.gz GDUUNZVKIIOTRP-GFCCVEGCSA-N 1 2 340.449 1.689 20 5 EDBDLO Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000032935125 441579876 /nfs/dbraw/zinc/57/98/76/441579876.db2.gz OASHRJBLLDORLL-INIZCTEOSA-N 1 2 335.404 1.990 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067417616 441638258 /nfs/dbraw/zinc/63/82/58/441638258.db2.gz IJYZOPPDGBBHHB-CQSZACIVSA-N 1 2 348.403 1.690 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067417616 441638263 /nfs/dbraw/zinc/63/82/63/441638263.db2.gz IJYZOPPDGBBHHB-CQSZACIVSA-N 1 2 348.403 1.690 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121724620 441766502 /nfs/dbraw/zinc/76/65/02/441766502.db2.gz KEHUJMAWJPKWJD-UHFFFAOYSA-N 1 2 337.330 1.929 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000138976243 441801617 /nfs/dbraw/zinc/80/16/17/441801617.db2.gz FGDHDWIXQOLGAX-LBPRGKRZSA-N 1 2 347.375 1.023 20 5 EDBDLO O=C(C[N@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000138976243 441801620 /nfs/dbraw/zinc/80/16/20/441801620.db2.gz FGDHDWIXQOLGAX-LBPRGKRZSA-N 1 2 347.375 1.023 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000092602809 441812129 /nfs/dbraw/zinc/81/21/29/441812129.db2.gz OOPZEPCTFIZFRX-KGLIPLIRSA-N 1 2 333.388 1.675 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000092602809 441812133 /nfs/dbraw/zinc/81/21/33/441812133.db2.gz OOPZEPCTFIZFRX-KGLIPLIRSA-N 1 2 333.388 1.675 20 5 EDBDLO CCOC(=O)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336768 441871580 /nfs/dbraw/zinc/87/15/80/441871580.db2.gz QDHAOKGXMYZHTR-UHFFFAOYSA-N 1 2 337.332 1.388 20 5 EDBDLO CCOC(=O)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336768 441871584 /nfs/dbraw/zinc/87/15/84/441871584.db2.gz QDHAOKGXMYZHTR-UHFFFAOYSA-N 1 2 337.332 1.388 20 5 EDBDLO CCc1nn(C)c(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000092827714 441831987 /nfs/dbraw/zinc/83/19/87/441831987.db2.gz KHJUNMDIAIADDL-UHFFFAOYSA-N 1 2 330.392 1.608 20 5 EDBDLO COC(=O)c1cc(C(=O)NCCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000145966738 441894396 /nfs/dbraw/zinc/89/43/96/441894396.db2.gz AUBAULJEGKRXTJ-UHFFFAOYSA-N 1 2 346.343 1.788 20 5 EDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161252440 441977193 /nfs/dbraw/zinc/97/71/93/441977193.db2.gz WOMXVQYXYFXYIC-CQSZACIVSA-N 1 2 326.356 1.927 20 5 EDBDLO Nc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000079813492 442086935 /nfs/dbraw/zinc/08/69/35/442086935.db2.gz RRINHODMUALRRG-ZDUSSCGKSA-N 1 2 344.375 1.280 20 5 EDBDLO Nc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000079813492 442086943 /nfs/dbraw/zinc/08/69/43/442086943.db2.gz RRINHODMUALRRG-ZDUSSCGKSA-N 1 2 344.375 1.280 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000120733622 442124830 /nfs/dbraw/zinc/12/48/30/442124830.db2.gz FKSCJYFVIWDRMY-GFCCVEGCSA-N 1 2 346.391 1.465 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)ccc1[N+](=O)[O-] ZINC000175659943 442100679 /nfs/dbraw/zinc/10/06/79/442100679.db2.gz VJKDOPCQHWYBLL-UHFFFAOYSA-N 1 2 335.341 1.886 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccccc2[N+](=O)[O-])CCO1 ZINC000171007339 442298132 /nfs/dbraw/zinc/29/81/32/442298132.db2.gz WTVACEJAJINRCU-UHFFFAOYSA-N 1 2 336.392 1.505 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccccc2[N+](=O)[O-])CCO1 ZINC000171007339 442298135 /nfs/dbraw/zinc/29/81/35/442298135.db2.gz WTVACEJAJINRCU-UHFFFAOYSA-N 1 2 336.392 1.505 20 5 EDBDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155356595 442391147 /nfs/dbraw/zinc/39/11/47/442391147.db2.gz QLGFEVAONYIRGS-JMSVASOKSA-N 1 2 328.328 1.830 20 5 EDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000155542480 442406602 /nfs/dbraw/zinc/40/66/02/442406602.db2.gz PPHWPILZMKVJGE-UHFFFAOYSA-N 1 2 332.316 1.980 20 5 EDBDLO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000173237615 442629475 /nfs/dbraw/zinc/62/94/75/442629475.db2.gz LIGUDOAHKBWCGT-UHFFFAOYSA-N 1 2 336.392 1.642 20 5 EDBDLO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000173237615 442629482 /nfs/dbraw/zinc/62/94/82/442629482.db2.gz LIGUDOAHKBWCGT-UHFFFAOYSA-N 1 2 336.392 1.642 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CCCCO)C2CC2)cc1 ZINC000181906799 442721478 /nfs/dbraw/zinc/72/14/78/442721478.db2.gz DKVATICEDCLREC-UHFFFAOYSA-N 1 2 342.417 1.605 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCCCO)C2CC2)cc1 ZINC000181906799 442721479 /nfs/dbraw/zinc/72/14/79/442721479.db2.gz DKVATICEDCLREC-UHFFFAOYSA-N 1 2 342.417 1.605 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265649119 442862662 /nfs/dbraw/zinc/86/26/62/442862662.db2.gz NJALZXIQLHCHOB-BXUZGUMPSA-N 1 2 334.376 1.393 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265649119 442862665 /nfs/dbraw/zinc/86/26/65/442862665.db2.gz NJALZXIQLHCHOB-BXUZGUMPSA-N 1 2 334.376 1.393 20 5 EDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000194431348 442895697 /nfs/dbraw/zinc/89/56/97/442895697.db2.gz IMLZFBMTQAMKOX-UHFFFAOYSA-N 1 2 333.797 1.622 20 5 EDBDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248944568 442939327 /nfs/dbraw/zinc/93/93/27/442939327.db2.gz OOBPYMHEISYVHH-FZMZJTMJSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248944568 442939331 /nfs/dbraw/zinc/93/93/31/442939331.db2.gz OOBPYMHEISYVHH-FZMZJTMJSA-N 1 2 328.390 1.071 20 5 EDBDLO CCOC(=O)[C@@H](F)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295926869 318652479 /nfs/dbraw/zinc/65/24/79/318652479.db2.gz HRUUYGGBLPGDTA-KGLIPLIRSA-N 1 2 326.324 1.461 20 5 EDBDLO CCN1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000190566975 443138336 /nfs/dbraw/zinc/13/83/36/443138336.db2.gz IFDRHJMIDSJWJI-UHFFFAOYSA-N 1 2 329.316 1.042 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000184945239 443104304 /nfs/dbraw/zinc/10/43/04/443104304.db2.gz JQAVOEBRFZFFQC-UHFFFAOYSA-N 1 2 327.344 1.656 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000184950394 443105003 /nfs/dbraw/zinc/10/50/03/443105003.db2.gz REWXJJNKKYSEAU-UHFFFAOYSA-N 1 2 342.359 1.238 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266415583 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YYQJJQKULNISGE-UHFFFAOYSA-N 1 2 340.286 1.792 20 5 EDBDLO CCOC(=O)c1cc(C(=O)NCc2[nH]c[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000266986206 443308738 /nfs/dbraw/zinc/30/87/38/443308738.db2.gz SEWXNQABGBCHBR-UHFFFAOYSA-N 1 2 332.316 1.733 20 5 EDBDLO C[C@@H]1COCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000278543833 443360405 /nfs/dbraw/zinc/36/04/05/443360405.db2.gz ODDSPFKSDJFAAR-DGCLKSJQSA-N 1 2 330.344 1.935 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](CO)C3)o2)c1 ZINC000267398257 443443828 /nfs/dbraw/zinc/44/38/28/443443828.db2.gz QFUDENKKAGSPTO-CQSZACIVSA-N 1 2 333.344 1.485 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](CO)C3)o2)c1 ZINC000267398257 443443835 /nfs/dbraw/zinc/44/38/35/443443835.db2.gz QFUDENKKAGSPTO-CQSZACIVSA-N 1 2 333.344 1.485 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000279396616 443576094 /nfs/dbraw/zinc/57/60/94/443576094.db2.gz VRQKUMIRSHGBGM-SNVBAGLBSA-N 1 2 343.330 1.666 20 5 EDBDLO 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ZINC000280291665 443692755 /nfs/dbraw/zinc/69/27/55/443692755.db2.gz FFWSAIMLSBDQOG-IGCXYCKISA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280291665 443692758 /nfs/dbraw/zinc/69/27/58/443692758.db2.gz FFWSAIMLSBDQOG-IGCXYCKISA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280361388 443702606 /nfs/dbraw/zinc/70/26/06/443702606.db2.gz JUKSEXZMXOWOHN-IGCXYCKISA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280361388 443702609 /nfs/dbraw/zinc/70/26/09/443702609.db2.gz JUKSEXZMXOWOHN-IGCXYCKISA-N 1 2 349.387 1.802 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000276549592 443743867 /nfs/dbraw/zinc/74/38/67/443743867.db2.gz HMJMQEDGFFQEAA-LLVKDONJSA-N 1 2 327.768 1.617 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000276549592 443743868 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1.792 20 5 EDBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000285137215 443868965 /nfs/dbraw/zinc/86/89/65/443868965.db2.gz QNORWUQHXHZTOW-UHFFFAOYSA-N 1 2 344.375 1.318 20 5 EDBDLO CC[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281574428 443947537 /nfs/dbraw/zinc/94/75/37/443947537.db2.gz ZIDRIBAZAMBIGJ-CQSZACIVSA-N 1 2 342.417 1.869 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281574428 443947539 /nfs/dbraw/zinc/94/75/39/443947539.db2.gz ZIDRIBAZAMBIGJ-CQSZACIVSA-N 1 2 342.417 1.869 20 5 EDBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000542910737 320786528 /nfs/dbraw/zinc/78/65/28/320786528.db2.gz YPMMDJWLGKGCJT-AWEZNQCLSA-N 1 2 345.355 1.526 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000277870890 444055019 /nfs/dbraw/zinc/05/50/19/444055019.db2.gz VHNOSLBJOVFFHA-ZDUSSCGKSA-N 1 2 343.811 1.686 20 5 EDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000571033384 321368465 /nfs/dbraw/zinc/36/84/65/321368465.db2.gz MHILWNCQZLTRIY-GHMZBOCLSA-N 1 2 328.394 1.093 20 5 EDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000571033384 321368466 /nfs/dbraw/zinc/36/84/66/321368466.db2.gz MHILWNCQZLTRIY-GHMZBOCLSA-N 1 2 328.394 1.093 20 5 EDBDLO COc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000289672169 444189099 /nfs/dbraw/zinc/18/90/99/444189099.db2.gz FYTODABWIPQUFN-UKRRQHHQSA-N 1 2 335.404 1.898 20 5 EDBDLO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000290635635 444303976 /nfs/dbraw/zinc/30/39/76/444303976.db2.gz MEYLXEZFIOMKKI-UHFFFAOYSA-N 1 2 338.408 1.256 20 5 EDBDLO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000290635635 444303979 /nfs/dbraw/zinc/30/39/79/444303979.db2.gz MEYLXEZFIOMKKI-UHFFFAOYSA-N 1 2 338.408 1.256 20 5 EDBDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305761026 444278834 /nfs/dbraw/zinc/27/88/34/444278834.db2.gz DTMBHIJLDNEBRY-NEPJUHHUSA-N 1 2 347.293 1.555 20 5 EDBDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305761026 444278835 /nfs/dbraw/zinc/27/88/35/444278835.db2.gz DTMBHIJLDNEBRY-NEPJUHHUSA-N 1 2 347.293 1.555 20 5 EDBDLO C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000290510024 444289491 /nfs/dbraw/zinc/28/94/91/444289491.db2.gz BJCMKEFVPDUDEF-PWSUYJOCSA-N 1 2 330.348 1.373 20 5 EDBDLO COC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298109960 444419219 /nfs/dbraw/zinc/41/92/19/444419219.db2.gz VKJNEGHUJHQOAB-UHFFFAOYSA-N 1 2 325.321 1.037 20 5 EDBDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298109960 444419223 /nfs/dbraw/zinc/41/92/23/444419223.db2.gz VKJNEGHUJHQOAB-UHFFFAOYSA-N 1 2 325.321 1.037 20 5 EDBDLO COc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000331075571 444384130 /nfs/dbraw/zinc/38/41/30/444384130.db2.gz VILMTXOFHACDHS-LBPRGKRZSA-N 1 2 335.360 1.150 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000340576682 444447426 /nfs/dbraw/zinc/44/74/26/444447426.db2.gz KUXAOOIWYFSMQT-UHFFFAOYSA-N 1 2 342.346 1.127 20 5 EDBDLO O=[N+]([O-])c1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c(F)c1 ZINC000338944085 444949050 /nfs/dbraw/zinc/94/90/50/444949050.db2.gz OWIGSSVOLLIKRE-UHFFFAOYSA-N 1 2 332.335 2.578 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000339067300 445017513 /nfs/dbraw/zinc/01/75/13/445017513.db2.gz LPBJIXKJOAANEP-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339183512 445076762 /nfs/dbraw/zinc/07/67/62/445076762.db2.gz ACMXHHVFQGUBNR-GXTWGEPZSA-N 1 2 348.403 1.831 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339183512 445076766 /nfs/dbraw/zinc/07/67/66/445076766.db2.gz ACMXHHVFQGUBNR-GXTWGEPZSA-N 1 2 348.403 1.831 20 5 EDBDLO Cc1cn2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccc2[nH+]1 ZINC000339267894 445126474 /nfs/dbraw/zinc/12/64/74/445126474.db2.gz BITMWJUNEMLLQY-UHFFFAOYSA-N 1 2 327.300 1.351 20 5 EDBDLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000330821376 445154240 /nfs/dbraw/zinc/15/42/40/445154240.db2.gz FZWSQYAUMKNTBA-IUODEOHRSA-N 1 2 342.417 1.461 20 5 EDBDLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000330821376 445154242 /nfs/dbraw/zinc/15/42/42/445154242.db2.gz FZWSQYAUMKNTBA-IUODEOHRSA-N 1 2 342.417 1.461 20 5 EDBDLO CNc1c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343341072 445205209 /nfs/dbraw/zinc/20/52/09/445205209.db2.gz IOBKPOPEMFZIGT-GFCCVEGCSA-N 1 2 334.376 1.230 20 5 EDBDLO CNc1c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343341072 445205211 /nfs/dbraw/zinc/20/52/11/445205211.db2.gz IOBKPOPEMFZIGT-GFCCVEGCSA-N 1 2 334.376 1.230 20 5 EDBDLO COC(=O)[C@H](O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351752137 445308572 /nfs/dbraw/zinc/30/85/72/445308572.db2.gz NDSNZILVIYQXFJ-CQSZACIVSA-N 1 2 344.314 1.619 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000351703879 445281876 /nfs/dbraw/zinc/28/18/76/445281876.db2.gz QCKFEKVZDLDIAZ-ZIAGYGMSSA-N 1 2 337.401 1.228 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000351703879 445281879 /nfs/dbraw/zinc/28/18/79/445281879.db2.gz QCKFEKVZDLDIAZ-ZIAGYGMSSA-N 1 2 337.401 1.228 20 5 EDBDLO COc1cc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351998589 445427832 /nfs/dbraw/zinc/42/78/32/445427832.db2.gz WLDZKYCVOSKMDH-UKRRQHHQSA-N 1 2 335.404 1.898 20 5 EDBDLO Cc1sc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000360156523 445599997 /nfs/dbraw/zinc/59/99/97/445599997.db2.gz DUMNIBJIAHKWML-DGCLKSJQSA-N 1 2 339.417 1.636 20 5 EDBDLO CC(C)NC(=O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349607885 445622257 /nfs/dbraw/zinc/62/22/57/445622257.db2.gz DPWNXHDYEHYYLI-UHFFFAOYSA-N 1 2 336.392 1.364 20 5 EDBDLO CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363097055 445676913 /nfs/dbraw/zinc/67/69/13/445676913.db2.gz KZZWUVVQFXTGGM-KBPBESRZSA-N 1 2 335.408 1.164 20 5 EDBDLO CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363097055 445676915 /nfs/dbraw/zinc/67/69/15/445676915.db2.gz KZZWUVVQFXTGGM-KBPBESRZSA-N 1 2 335.408 1.164 20 5 EDBDLO CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363097055 445676916 /nfs/dbraw/zinc/67/69/16/445676916.db2.gz KZZWUVVQFXTGGM-KBPBESRZSA-N 1 2 335.408 1.164 20 5 EDBDLO CO[C@]1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000353687103 445706949 /nfs/dbraw/zinc/70/69/49/445706949.db2.gz LUQVNEAWMNXUIJ-WBVHZDCISA-N 1 2 346.387 1.813 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000356754733 445988063 /nfs/dbraw/zinc/98/80/63/445988063.db2.gz MWDZYYCNXSVMKZ-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO COCCOC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204115 445997487 /nfs/dbraw/zinc/99/74/87/445997487.db2.gz KSYZBCZXPLVIQO-UHFFFAOYSA-N 1 2 346.387 1.843 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000364745415 445951105 /nfs/dbraw/zinc/95/11/05/445951105.db2.gz WFUVHCVDCICBRX-NSHDSACASA-N 1 2 345.315 1.753 20 5 EDBDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000365062309 446001330 /nfs/dbraw/zinc/00/13/30/446001330.db2.gz MVMPCAAISRSXMB-CYBMUJFWSA-N 1 2 348.403 1.866 20 5 EDBDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000365062309 446001336 /nfs/dbraw/zinc/00/13/36/446001336.db2.gz MVMPCAAISRSXMB-CYBMUJFWSA-N 1 2 348.403 1.866 20 5 EDBDLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147023 446052302 /nfs/dbraw/zinc/05/23/02/446052302.db2.gz RCOGEVJNGLOFLG-GJZGRUSLSA-N 1 2 334.420 1.436 20 5 EDBDLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccccc1[N+](=O)[O-] ZINC000365147023 446052307 /nfs/dbraw/zinc/05/23/07/446052307.db2.gz 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COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000597995061 449180392 /nfs/dbraw/zinc/18/03/92/449180392.db2.gz DWKSCLYVJLCCDP-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000597995061 449180402 /nfs/dbraw/zinc/18/04/02/449180402.db2.gz DWKSCLYVJLCCDP-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO Cc1[nH]c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]c1C ZINC000600111427 449196144 /nfs/dbraw/zinc/19/61/44/449196144.db2.gz CRVHPWSIQRREQC-UHFFFAOYSA-N 1 2 349.416 1.954 20 5 EDBDLO C[N@H+](CCN1CCOCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268186 449243397 /nfs/dbraw/zinc/24/33/97/449243397.db2.gz NVMJXJWVCYTPOV-UHFFFAOYSA-N 1 2 337.376 1.130 20 5 EDBDLO C[N@@H+](CCN1CCOCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268186 449243402 /nfs/dbraw/zinc/24/34/02/449243402.db2.gz NVMJXJWVCYTPOV-UHFFFAOYSA-N 1 2 337.376 1.130 20 5 EDBDLO CN(CC[NH+]1CCOCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268186 449243406 /nfs/dbraw/zinc/24/34/06/449243406.db2.gz NVMJXJWVCYTPOV-UHFFFAOYSA-N 1 2 337.376 1.130 20 5 EDBDLO CCc1nn(C)cc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590781094 449290381 /nfs/dbraw/zinc/29/03/81/449290381.db2.gz FFOWINXHIDRIAZ-UHFFFAOYSA-N 1 2 330.392 1.608 20 5 EDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590760497 449279806 /nfs/dbraw/zinc/27/98/06/449279806.db2.gz GDXFLHFTIHMLKM-UHFFFAOYSA-N 1 2 340.361 1.298 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343166 449358062 /nfs/dbraw/zinc/35/80/62/449358062.db2.gz ROOSOTZNJZVFKL-UHFFFAOYSA-N 1 2 349.387 1.485 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343813 449358678 /nfs/dbraw/zinc/35/86/78/449358678.db2.gz YXEMBWLWSWLPDJ-UHFFFAOYSA-N 1 2 333.388 1.779 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600420019 449365554 /nfs/dbraw/zinc/36/55/54/449365554.db2.gz HREWJKDZMZIRHC-JTQLQIEISA-N 1 2 347.293 1.674 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600420019 449365558 /nfs/dbraw/zinc/36/55/58/449365558.db2.gz HREWJKDZMZIRHC-JTQLQIEISA-N 1 2 347.293 1.674 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598459291 449406745 /nfs/dbraw/zinc/40/67/45/449406745.db2.gz GVWMRKFIYPGARB-MNOVXSKESA-N 1 2 349.395 1.438 20 5 EDBDLO COC(=O)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000612101847 449562792 /nfs/dbraw/zinc/56/27/92/449562792.db2.gz SVTKDUPLYIWOAA-FZMZJTMJSA-N 1 2 340.376 1.512 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000617383132 449586132 /nfs/dbraw/zinc/58/61/32/449586132.db2.gz MTLCLCYOXZHBKQ-ZDUSSCGKSA-N 1 2 329.360 1.728 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000617383132 449586125 /nfs/dbraw/zinc/58/61/25/449586125.db2.gz MTLCLCYOXZHBKQ-ZDUSSCGKSA-N 1 2 329.360 1.728 20 5 EDBDLO CC(=O)N1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12CCCCC2 ZINC000602481343 449625884 /nfs/dbraw/zinc/62/58/84/449625884.db2.gz BAXRARVJEKUUIX-UHFFFAOYSA-N 1 2 335.408 1.695 20 5 EDBDLO CC(=O)N1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12CCCCC2 ZINC000602481343 449625888 /nfs/dbraw/zinc/62/58/88/449625888.db2.gz BAXRARVJEKUUIX-UHFFFAOYSA-N 1 2 335.408 1.695 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000594759860 449674207 /nfs/dbraw/zinc/67/42/07/449674207.db2.gz OTLVYYIWUPKNNW-NSHDSACASA-N 1 2 337.361 1.212 20 5 EDBDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602685956 449750732 /nfs/dbraw/zinc/75/07/32/449750732.db2.gz MMNJUPQUVJSMRQ-HNNXBMFYSA-N 1 2 342.403 1.997 20 5 EDBDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602685956 449750736 /nfs/dbraw/zinc/75/07/36/449750736.db2.gz MMNJUPQUVJSMRQ-HNNXBMFYSA-N 1 2 342.403 1.997 20 5 EDBDLO Cc1cnc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599130376 449754325 /nfs/dbraw/zinc/75/43/25/449754325.db2.gz GOAKUPDAGOWKTL-INIZCTEOSA-N 1 2 336.392 1.326 20 5 EDBDLO Cc1cnc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599130376 449754328 /nfs/dbraw/zinc/75/43/28/449754328.db2.gz GOAKUPDAGOWKTL-INIZCTEOSA-N 1 2 336.392 1.326 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000602817345 449828916 /nfs/dbraw/zinc/82/89/16/449828916.db2.gz JONALGMIXUSNHR-UHFFFAOYSA-N 1 2 338.412 1.225 20 5 EDBDLO COc1cncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000599260427 449839287 /nfs/dbraw/zinc/83/92/87/449839287.db2.gz DWAFJVOVHPTYBS-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO Cn1c[nH+]cc1CCCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000594899941 449799892 /nfs/dbraw/zinc/79/98/92/449799892.db2.gz JOXSGOVUEKRJDR-UHFFFAOYSA-N 1 2 329.316 1.778 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601413931 449929971 /nfs/dbraw/zinc/92/99/71/449929971.db2.gz LRBUXYKNSBLRCR-VIFPVBQESA-N 1 2 333.435 1.679 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601413931 449929973 /nfs/dbraw/zinc/92/99/73/449929973.db2.gz LRBUXYKNSBLRCR-VIFPVBQESA-N 1 2 333.435 1.679 20 5 EDBDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000602938138 449939280 /nfs/dbraw/zinc/93/92/80/449939280.db2.gz PRBXKEVQGRWZQS-CQSZACIVSA-N 1 2 332.360 1.555 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601574665 450084597 /nfs/dbraw/zinc/08/45/97/450084597.db2.gz RIGBCYJNQWFPRM-NEPJUHHUSA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1noc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000595375990 450088785 /nfs/dbraw/zinc/08/87/85/450088785.db2.gz GRMSELCQPPKXAN-UHFFFAOYSA-N 1 2 332.360 1.915 20 5 EDBDLO Cc1nccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000183771858 534756982 /nfs/dbraw/zinc/75/69/82/534756982.db2.gz MKNSMJXOVRRAMM-UHFFFAOYSA-N 1 2 343.387 1.894 20 5 EDBDLO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132271334 527716844 /nfs/dbraw/zinc/71/68/44/527716844.db2.gz ZSVVFGVJGDMYSO-LBPRGKRZSA-N 1 2 325.365 1.387 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000195342433 536144033 /nfs/dbraw/zinc/14/40/33/536144033.db2.gz APGJLBDPVFAWHC-UHFFFAOYSA-N 1 2 330.392 1.837 20 5 EDBDLO C/C(=C\C(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752268580 579843667 /nfs/dbraw/zinc/84/36/67/579843667.db2.gz DWLMXOVHZLLHOQ-ISBHARSQSA-N 1 2 332.404 1.360 20 5 EDBDLO C/C(=C\C(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752268580 579843668 /nfs/dbraw/zinc/84/36/68/579843668.db2.gz DWLMXOVHZLLHOQ-ISBHARSQSA-N 1 2 332.404 1.360 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000763916154 580108379 /nfs/dbraw/zinc/10/83/79/580108379.db2.gz JNOKKSARKQBJIY-UONOGXRCSA-N 1 2 328.390 1.137 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000763916154 580108380 /nfs/dbraw/zinc/10/83/80/580108380.db2.gz JNOKKSARKQBJIY-UONOGXRCSA-N 1 2 328.390 1.137 20 5 EDBDLO O=c1c([N+](=O)[O-])cn(Cc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000768462316 580213765 /nfs/dbraw/zinc/21/37/65/580213765.db2.gz AFJYJJNWRNFMRS-UHFFFAOYSA-N 1 2 342.271 1.294 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549340 580215931 /nfs/dbraw/zinc/21/59/31/580215931.db2.gz XISULNBINUDQQE-LLVKDONJSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549340 580215932 /nfs/dbraw/zinc/21/59/32/580215932.db2.gz XISULNBINUDQQE-LLVKDONJSA-N 1 2 347.824 1.762 20 5 EDBDLO COc1cc(N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])cc1F ZINC000771148752 580281017 /nfs/dbraw/zinc/28/10/17/580281017.db2.gz YFWALYZCFUBPKO-QHCPKHFHSA-N 1 2 345.396 1.243 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782618209 580580617 /nfs/dbraw/zinc/58/06/17/580580617.db2.gz QAXKKGVQBKVMRV-USBNGQNGSA-N 1 2 335.360 1.245 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782618209 580580618 /nfs/dbraw/zinc/58/06/18/580580618.db2.gz QAXKKGVQBKVMRV-USBNGQNGSA-N 1 2 335.360 1.245 20 5 EDBDLO O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782620323 580580750 /nfs/dbraw/zinc/58/07/50/580580750.db2.gz UEJORNJNTVPIRP-OTYXRUKQSA-N 1 2 325.752 1.501 20 5 EDBDLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782620323 580580751 /nfs/dbraw/zinc/58/07/51/580580751.db2.gz UEJORNJNTVPIRP-OTYXRUKQSA-N 1 2 325.752 1.501 20 5 EDBDLO O=Cc1ccc(OCC(=O)OCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000783608110 580602051 /nfs/dbraw/zinc/60/20/51/580602051.db2.gz VHVKFSMGBLTAFH-UHFFFAOYSA-N 1 2 333.300 1.616 20 5 EDBDLO O=C(OCC[C@@H]1CCOC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676181 580649868 /nfs/dbraw/zinc/64/98/68/580649868.db2.gz ACWBXYXJUNDNCP-NSHDSACASA-N 1 2 345.311 1.891 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000788335085 580717579 /nfs/dbraw/zinc/71/75/79/580717579.db2.gz XMTOHIWGJDKTCD-GFCCVEGCSA-N 1 2 338.433 1.944 20 5 EDBDLO Cc1nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000788375631 580719258 /nfs/dbraw/zinc/71/92/58/580719258.db2.gz AGFBQHUMXZCNEY-GFCCVEGCSA-N 1 2 348.407 1.258 20 5 EDBDLO NC(=[NH+]O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000789612979 580750659 /nfs/dbraw/zinc/75/06/59/580750659.db2.gz RYBZDZRLPUODOY-STQMWFEESA-N 1 2 334.332 1.378 20 5 EDBDLO COC(=O)/C(C)=C/CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000895512660 591786124 /nfs/dbraw/zinc/78/61/24/591786124.db2.gz BUIGUFHPTUEIRM-WLRTZDKTSA-N 1 2 349.387 1.958 20 5 EDBDLO O=C(CNc1cccc[nH+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899941627 591990018 /nfs/dbraw/zinc/99/00/18/591990018.db2.gz JMEYUEHBPJRKLB-UHFFFAOYSA-N 1 2 341.371 1.751 20 5 EDBDLO O=C1[C@H]2CCC[C@@H]2CN1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839946790 593218597 /nfs/dbraw/zinc/21/85/97/593218597.db2.gz BQQQZLHZOFMSNS-PBHICJAKSA-N 1 2 344.415 1.933 20 5 EDBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000802784165 593278899 /nfs/dbraw/zinc/27/88/99/593278899.db2.gz JZRYLNFUHJUBBM-UHFFFAOYSA-N 1 2 347.327 1.889 20 5 EDBDLO CN(C)C(=O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000802981618 593292909 /nfs/dbraw/zinc/29/29/09/593292909.db2.gz WERIWGMRUWFDEB-UHFFFAOYSA-N 1 2 346.343 1.806 20 5 EDBDLO CC(C)(CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000804493289 593419194 /nfs/dbraw/zinc/41/91/94/593419194.db2.gz OKVXOQBCJMRCTA-UHFFFAOYSA-N 1 2 326.422 1.432 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804498149 593419546 /nfs/dbraw/zinc/41/95/46/593419546.db2.gz MNVYNEOPIFLQEE-QHCPKHFHSA-N 1 2 342.377 1.004 20 5 EDBDLO CO[C@@H]1C[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000840055121 593429655 /nfs/dbraw/zinc/42/96/55/593429655.db2.gz UHLCZIVNKMBTHI-MJEQTWJJSA-N 1 2 349.387 1.846 20 5 EDBDLO CO[C@@H]1C[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000840055121 593429657 /nfs/dbraw/zinc/42/96/57/593429657.db2.gz UHLCZIVNKMBTHI-MJEQTWJJSA-N 1 2 349.387 1.846 20 5 EDBDLO C[N@H+](CC(F)F)C1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000811810999 593483316 /nfs/dbraw/zinc/48/33/16/593483316.db2.gz BLQNNRRWURWRTE-UHFFFAOYSA-N 1 2 343.334 1.254 20 5 EDBDLO C[N@@H+](CC(F)F)C1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000811810999 593483317 /nfs/dbraw/zinc/48/33/17/593483317.db2.gz BLQNNRRWURWRTE-UHFFFAOYSA-N 1 2 343.334 1.254 20 5 EDBDLO CC(=O)N[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000817367737 593596055 /nfs/dbraw/zinc/59/60/55/593596055.db2.gz LRSFOOPJPVOERQ-OAHLLOKOSA-N 1 2 329.360 1.626 20 5 EDBDLO CC(=O)N[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000817367737 593596056 /nfs/dbraw/zinc/59/60/56/593596056.db2.gz LRSFOOPJPVOERQ-OAHLLOKOSA-N 1 2 329.360 1.626 20 5 EDBDLO COc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)c([N+](=O)[O-])cc1C ZINC000820611681 593844580 /nfs/dbraw/zinc/84/45/80/593844580.db2.gz ZFYHDWZSGMQDDT-UHFFFAOYSA-N 1 2 348.403 1.312 20 5 EDBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822160724 594002574 /nfs/dbraw/zinc/00/25/74/594002574.db2.gz ULYKRGUFOXISQY-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822160724 594002575 /nfs/dbraw/zinc/00/25/75/594002575.db2.gz ULYKRGUFOXISQY-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825035905 594119665 /nfs/dbraw/zinc/11/96/65/594119665.db2.gz VNSNJYCEOGJQKW-AWEZNQCLSA-N 1 2 330.344 1.406 20 5 EDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCNc1cccc[nH+]1 ZINC000823624771 594222544 /nfs/dbraw/zinc/22/25/44/594222544.db2.gz IYEIFHXRVPZTTM-UHFFFAOYSA-N 1 2 341.335 1.479 20 5 EDBDLO CN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[N@H+](C)C1 ZINC000827680344 594256753 /nfs/dbraw/zinc/25/67/53/594256753.db2.gz QDTQAZYPQZXEOW-LBPRGKRZSA-N 1 2 327.406 1.529 20 5 EDBDLO CN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000827680344 594256756 /nfs/dbraw/zinc/25/67/56/594256756.db2.gz QDTQAZYPQZXEOW-LBPRGKRZSA-N 1 2 327.406 1.529 20 5 EDBDLO O=CN1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000827876860 594295430 /nfs/dbraw/zinc/29/54/30/594295430.db2.gz FZCQEECYRMOERS-UHFFFAOYSA-N 1 2 329.303 1.860 20 5 EDBDLO O=CN1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000827876860 594295431 /nfs/dbraw/zinc/29/54/31/594295431.db2.gz FZCQEECYRMOERS-UHFFFAOYSA-N 1 2 329.303 1.860 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@H]1CCO ZINC000827925822 594304601 /nfs/dbraw/zinc/30/46/01/594304601.db2.gz URWCQCBJTSZZDP-CYBMUJFWSA-N 1 2 346.343 1.004 20 5 EDBDLO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C[C@@H]21 ZINC000828988268 594543907 /nfs/dbraw/zinc/54/39/07/594543907.db2.gz VAMWYTGIJDFQMW-MFKMUULPSA-N 1 2 325.390 1.139 20 5 EDBDLO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C[C@@H]21 ZINC000828988268 594543908 /nfs/dbraw/zinc/54/39/08/594543908.db2.gz VAMWYTGIJDFQMW-MFKMUULPSA-N 1 2 325.390 1.139 20 5 EDBDLO O=C1N=NC([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000829438059 594613176 /nfs/dbraw/zinc/61/31/76/594613176.db2.gz ACEHIPBMFZYYHD-DGCLKSJQSA-N 1 2 334.332 1.596 20 5 EDBDLO O=C1N=NC([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000829438059 594613177 /nfs/dbraw/zinc/61/31/77/594613177.db2.gz ACEHIPBMFZYYHD-DGCLKSJQSA-N 1 2 334.332 1.596 20 5 EDBDLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000831998368 594717987 /nfs/dbraw/zinc/71/79/87/594717987.db2.gz VPJKDHMXZLDSSI-CQSZACIVSA-N 1 2 346.343 1.196 20 5 EDBDLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000831998368 594717988 /nfs/dbraw/zinc/71/79/88/594717988.db2.gz VPJKDHMXZLDSSI-CQSZACIVSA-N 1 2 346.343 1.196 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000836866299 595006976 /nfs/dbraw/zinc/00/69/76/595006976.db2.gz NJFVKHUCJUHNKE-BETUJISGSA-N 1 2 337.351 1.635 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000836866299 595006978 /nfs/dbraw/zinc/00/69/78/595006978.db2.gz NJFVKHUCJUHNKE-BETUJISGSA-N 1 2 337.351 1.635 20 5 EDBDLO COc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)ccc1OCC[NH+](C)C ZINC000842492113 595122037 /nfs/dbraw/zinc/12/20/37/595122037.db2.gz ZOJJVEXGRCMVGO-VXGBXAGGSA-N 1 2 348.359 1.818 20 5 EDBDLO C[N@H+](CCn1cccn1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478399 595389771 /nfs/dbraw/zinc/38/97/71/595389771.db2.gz MPLASHZKGDXIJZ-INIZCTEOSA-N 1 2 343.387 1.697 20 5 EDBDLO C[N@@H+](CCn1cccn1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848478399 595389772 /nfs/dbraw/zinc/38/97/72/595389772.db2.gz MPLASHZKGDXIJZ-INIZCTEOSA-N 1 2 343.387 1.697 20 5 EDBDLO CNc1nccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000847956511 595504214 /nfs/dbraw/zinc/50/42/14/595504214.db2.gz LXPIOYSTMYFVNB-LLVKDONJSA-N 1 2 344.375 1.785 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000860019479 595545455 /nfs/dbraw/zinc/54/54/55/595545455.db2.gz WZAZBZPZWCYGHP-LLVKDONJSA-N 1 2 339.779 1.795 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000855413076 595702078 /nfs/dbraw/zinc/70/20/78/595702078.db2.gz ZTVQNZCAXYXOPO-NEPJUHHUSA-N 1 2 339.367 1.881 20 5 EDBDLO Cc1cc(F)cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000855413076 595702081 /nfs/dbraw/zinc/70/20/81/595702081.db2.gz ZTVQNZCAXYXOPO-NEPJUHHUSA-N 1 2 339.367 1.881 20 5 EDBDLO CCON(CC)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000858219014 595733642 /nfs/dbraw/zinc/73/36/42/595733642.db2.gz CBWQZDOGBIQURH-UHFFFAOYSA-N 1 2 341.364 1.502 20 5 EDBDLO COc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])cc1C ZINC000853416320 595749664 /nfs/dbraw/zinc/74/96/64/595749664.db2.gz HRDYLFNXSIMRHF-UHFFFAOYSA-N 1 2 336.392 1.298 20 5 EDBDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850361596 595819110 /nfs/dbraw/zinc/81/91/10/595819110.db2.gz UCKKYARIPULSGN-JQWIXIFHSA-N 1 2 334.781 1.150 20 5 EDBDLO CC(C)(CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N+](=O)[O-] ZINC000856072365 595887899 /nfs/dbraw/zinc/88/78/99/595887899.db2.gz MNONTAGKMFWMAV-UHFFFAOYSA-N 1 2 327.425 1.393 20 5 EDBDLO CCOC(=O)N(C)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000851748962 595906699 /nfs/dbraw/zinc/90/66/99/595906699.db2.gz ZAXCKURSSNCTJG-UHFFFAOYSA-N 1 2 326.353 1.944 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000859874515 596212734 /nfs/dbraw/zinc/21/27/34/596212734.db2.gz RQZPNOOQDQWLDA-ILXRZTDVSA-N 1 2 340.401 1.280 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000859874515 596212737 /nfs/dbraw/zinc/21/27/37/596212737.db2.gz RQZPNOOQDQWLDA-ILXRZTDVSA-N 1 2 340.401 1.280 20 5 EDBDLO COC(=O)[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000863300440 596543979 /nfs/dbraw/zinc/54/39/79/596543979.db2.gz CGQAUIZRSJANJI-HNNXBMFYSA-N 1 2 332.316 1.065 20 5 EDBDLO CO[C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cn3)Cc3ccc[nH+]c3N2C1 ZINC000866057966 596774202 /nfs/dbraw/zinc/77/42/02/596774202.db2.gz RBXIIMBCOCNADE-JSGCOSHPSA-N 1 2 342.359 1.394 20 5 EDBDLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000872669422 597023788 /nfs/dbraw/zinc/02/37/88/597023788.db2.gz VXSCVUINBOTMRU-HNNXBMFYSA-N 1 2 340.380 1.429 20 5 EDBDLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000872669422 597023791 /nfs/dbraw/zinc/02/37/91/597023791.db2.gz VXSCVUINBOTMRU-HNNXBMFYSA-N 1 2 340.380 1.429 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(F)cc3F)CC2)c1 ZINC000879595282 597650650 /nfs/dbraw/zinc/65/06/50/597650650.db2.gz KNLBFCNBNSGUBY-UHFFFAOYSA-N 1 2 337.330 1.892 20 5 EDBDLO Cc1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)cc1[N+](=O)[O-] ZINC000883991749 597963781 /nfs/dbraw/zinc/96/37/81/597963781.db2.gz PBFZSQPCGHDXSI-UHFFFAOYSA-N 1 2 331.376 1.500 20 5 EDBDLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128741984 598047786 /nfs/dbraw/zinc/04/77/86/598047786.db2.gz TZRBGWUEMKKTPW-UHFFFAOYSA-N 1 2 343.405 1.290 20 5 EDBDLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128741984 598047790 /nfs/dbraw/zinc/04/77/90/598047790.db2.gz TZRBGWUEMKKTPW-UHFFFAOYSA-N 1 2 343.405 1.290 20 5 EDBDLO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC001060480122 695447784 /nfs/dbraw/zinc/44/77/84/695447784.db2.gz FBQANKIPDHQQNL-HALDLXJZSA-N 1 2 341.371 1.420 20 5 EDBDLO Cc1nocc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031945454 701495638 /nfs/dbraw/zinc/49/56/38/701495638.db2.gz JYJPNPXLHYHPOC-UHFFFAOYSA-N 1 2 330.344 1.753 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000053780962 214197742 /nfs/dbraw/zinc/19/77/42/214197742.db2.gz FFKXBKCUHSOVJL-VIFPVBQESA-N 1 2 345.302 1.655 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000053780962 214197743 /nfs/dbraw/zinc/19/77/43/214197743.db2.gz FFKXBKCUHSOVJL-VIFPVBQESA-N 1 2 345.302 1.655 20 5 EDBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173778945 231030655 /nfs/dbraw/zinc/03/06/55/231030655.db2.gz UPHQAFLPPCAFPL-AWEZNQCLSA-N 1 2 334.376 1.211 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000559397216 306254710 /nfs/dbraw/zinc/25/47/10/306254710.db2.gz RHHBAYKASJZOAG-CYBMUJFWSA-N 1 2 335.404 1.709 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000559397216 306254711 /nfs/dbraw/zinc/25/47/11/306254711.db2.gz RHHBAYKASJZOAG-CYBMUJFWSA-N 1 2 335.404 1.709 20 5 EDBDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000066833323 215082526 /nfs/dbraw/zinc/08/25/26/215082526.db2.gz ZASDNWJJEYMEFW-ZDUSSCGKSA-N 1 2 347.371 1.369 20 5 EDBDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000066833323 215082529 /nfs/dbraw/zinc/08/25/29/215082529.db2.gz ZASDNWJJEYMEFW-ZDUSSCGKSA-N 1 2 347.371 1.369 20 5 EDBDLO CN(C)C(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000560814906 306279758 /nfs/dbraw/zinc/27/97/58/306279758.db2.gz TWKFXHNEZKXKQX-UHFFFAOYSA-N 1 2 329.360 1.947 20 5 EDBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccnc3)CC2)nc2ccccn21 ZINC000022317775 212289816 /nfs/dbraw/zinc/28/98/16/212289816.db2.gz ADOOWUAWZUMOKO-UHFFFAOYSA-N 1 2 338.371 1.960 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000248374180 139161126 /nfs/dbraw/zinc/16/11/26/139161126.db2.gz OJDGFSQQBSAEFW-ZIAGYGMSSA-N 1 2 346.387 1.937 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000248374180 139161127 /nfs/dbraw/zinc/16/11/27/139161127.db2.gz OJDGFSQQBSAEFW-ZIAGYGMSSA-N 1 2 346.387 1.937 20 5 EDBDLO CC(C)Oc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000411170752 250462982 /nfs/dbraw/zinc/46/29/82/250462982.db2.gz XWNWHNAAHUQKBS-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO Cn1cc(Cl)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000569450257 306508011 /nfs/dbraw/zinc/50/80/11/306508011.db2.gz XJWPAFVEPTUUJU-NSHDSACASA-N 1 2 340.767 1.511 20 5 EDBDLO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000112618889 220356651 /nfs/dbraw/zinc/35/66/51/220356651.db2.gz VCEYNGGOBVTFNJ-GFCCVEGCSA-N 1 2 330.406 1.729 20 5 EDBDLO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CS(C)(=O)=O ZINC000112618889 220356656 /nfs/dbraw/zinc/35/66/56/220356656.db2.gz VCEYNGGOBVTFNJ-GFCCVEGCSA-N 1 2 330.406 1.729 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000371283089 285220935 /nfs/dbraw/zinc/22/09/35/285220935.db2.gz GKZHJSDCXQLGJL-INIZCTEOSA-N 1 2 329.356 1.830 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000371283089 285220942 /nfs/dbraw/zinc/22/09/42/285220942.db2.gz GKZHJSDCXQLGJL-INIZCTEOSA-N 1 2 329.356 1.830 20 5 EDBDLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nncn1C ZINC000494785272 255261364 /nfs/dbraw/zinc/26/13/64/255261364.db2.gz PMBNRISFIDQWLE-ZWNOBZJWSA-N 1 2 330.348 1.179 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334952 221054574 /nfs/dbraw/zinc/05/45/74/221054574.db2.gz HKEDCMGGGVUEEZ-LBPRGKRZSA-N 1 2 349.343 1.530 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334952 221054576 /nfs/dbraw/zinc/05/45/76/221054576.db2.gz HKEDCMGGGVUEEZ-LBPRGKRZSA-N 1 2 349.343 1.530 20 5 EDBDLO Cc1cc(NC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000270986736 140214186 /nfs/dbraw/zinc/21/41/86/140214186.db2.gz CJWFTHXUZLRYOM-CABCVRRESA-N 1 2 346.343 1.514 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000331897865 141095381 /nfs/dbraw/zinc/09/53/81/141095381.db2.gz BODFWLLENMIBKE-HOTGVXAUSA-N 1 2 348.403 1.252 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000331897865 141095382 /nfs/dbraw/zinc/09/53/82/141095382.db2.gz BODFWLLENMIBKE-HOTGVXAUSA-N 1 2 348.403 1.252 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340414492 142383416 /nfs/dbraw/zinc/38/34/16/142383416.db2.gz UIXSWEYSBZXAKZ-ARFHVFGLSA-N 1 2 346.387 1.547 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(N)=O ZINC000346595915 143220423 /nfs/dbraw/zinc/22/04/23/143220423.db2.gz ZFAIKYWFEIXAMP-WCBMZHEXSA-N 1 2 340.767 1.240 20 5 EDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(N)=O ZINC000346595915 143220424 /nfs/dbraw/zinc/22/04/24/143220424.db2.gz ZFAIKYWFEIXAMP-WCBMZHEXSA-N 1 2 340.767 1.240 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000347090622 143281631 /nfs/dbraw/zinc/28/16/31/143281631.db2.gz DUCHHIFOVQZOTI-UHFFFAOYSA-N 1 2 330.279 1.905 20 5 EDBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000355085804 150109502 /nfs/dbraw/zinc/10/95/02/150109502.db2.gz YVTVMWZFBQOTMP-LBPRGKRZSA-N 1 2 342.417 1.912 20 5 EDBDLO COc1cc(C[N@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000355085804 150109506 /nfs/dbraw/zinc/10/95/06/150109506.db2.gz YVTVMWZFBQOTMP-LBPRGKRZSA-N 1 2 342.417 1.912 20 5 EDBDLO Cn1c[nH+]cc1Cc1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000357955811 151209540 /nfs/dbraw/zinc/20/95/40/151209540.db2.gz ROWRKENFKZBSMR-UHFFFAOYSA-N 1 2 325.288 1.845 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000358010757 151233270 /nfs/dbraw/zinc/23/32/70/151233270.db2.gz UXQUKTFZPOBCBS-UHFFFAOYSA-N 1 2 330.348 1.122 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])CC2 ZINC000371735697 156082953 /nfs/dbraw/zinc/08/29/53/156082953.db2.gz LIBILBRAKYKXOG-UHFFFAOYSA-N 1 2 344.327 1.333 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C2 ZINC000373784012 157002246 /nfs/dbraw/zinc/00/22/46/157002246.db2.gz VWADALJYSWKCCN-CYBMUJFWSA-N 1 2 344.371 1.918 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000374332908 157248297 /nfs/dbraw/zinc/24/82/97/157248297.db2.gz PKZYHCACBHYPQB-NSHDSACASA-N 1 2 329.360 1.849 20 5 EDBDLO COc1ccccc1[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000374372026 157264957 /nfs/dbraw/zinc/26/49/57/157264957.db2.gz NGYBFFTWVBTIEU-GFCCVEGCSA-N 1 2 345.359 1.124 20 5 EDBDLO Cc1cc(N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918843 158029044 /nfs/dbraw/zinc/02/90/44/158029044.db2.gz SIKKQXSLGUENIC-HUUCEWRRSA-N 1 2 349.435 1.139 20 5 EDBDLO Cc1cc(N2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918843 158029046 /nfs/dbraw/zinc/02/90/46/158029046.db2.gz SIKKQXSLGUENIC-HUUCEWRRSA-N 1 2 349.435 1.139 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074893 158072178 /nfs/dbraw/zinc/07/21/78/158072178.db2.gz JQEANAFJSRAXHV-UHFFFAOYSA-N 1 2 332.364 1.619 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074893 158072180 /nfs/dbraw/zinc/07/21/80/158072180.db2.gz JQEANAFJSRAXHV-UHFFFAOYSA-N 1 2 332.364 1.619 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCCC1=O ZINC000112995386 287341945 /nfs/dbraw/zinc/34/19/45/287341945.db2.gz OHZSJHHYQLPPGB-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCCC1=O ZINC000112995386 287341948 /nfs/dbraw/zinc/34/19/48/287341948.db2.gz OHZSJHHYQLPPGB-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CCC[C@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000273364313 268035494 /nfs/dbraw/zinc/03/54/94/268035494.db2.gz QXRNHCWHFSTNHW-LRDDRELGSA-N 1 2 340.376 1.656 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275400524 268337616 /nfs/dbraw/zinc/33/76/16/268337616.db2.gz DXYLJAKLUCTHSF-AWEZNQCLSA-N 1 2 334.420 1.940 20 5 EDBDLO O=C(CC[NH+]1CC(NC(=O)C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000275227798 273107263 /nfs/dbraw/zinc/10/72/63/273107263.db2.gz KTWFBLWLPWYKDE-UHFFFAOYSA-N 1 2 346.387 1.524 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CC1 ZINC000277743196 273221979 /nfs/dbraw/zinc/22/19/79/273221979.db2.gz BNZDEBMVSRBJFQ-UHFFFAOYSA-N 1 2 333.388 1.508 20 5 EDBDLO CC(=O)c1cc(NCC[NH+]2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000283548785 273886469 /nfs/dbraw/zinc/88/64/69/273886469.db2.gz MJFLLLXPNMXGAZ-UHFFFAOYSA-N 1 2 334.376 1.373 20 5 EDBDLO Cc1noc([C@@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000284221908 274122089 /nfs/dbraw/zinc/12/20/89/274122089.db2.gz UMZPQUPLRYXEEL-CQSZACIVSA-N 1 2 349.303 1.288 20 5 EDBDLO Cc1noc([C@@]2(O)CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000284221908 274122090 /nfs/dbraw/zinc/12/20/90/274122090.db2.gz UMZPQUPLRYXEEL-CQSZACIVSA-N 1 2 349.303 1.288 20 5 EDBDLO Cc1c(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285706913 274624642 /nfs/dbraw/zinc/62/46/42/274624642.db2.gz HTSUPHPUTRUYHY-XJKSGUPXSA-N 1 2 347.415 1.767 20 5 EDBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373922702 275023390 /nfs/dbraw/zinc/02/33/90/275023390.db2.gz LTUAGRNZIZULAJ-ZDUSSCGKSA-N 1 2 349.347 1.493 20 5 EDBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373922702 275023391 /nfs/dbraw/zinc/02/33/91/275023391.db2.gz LTUAGRNZIZULAJ-ZDUSSCGKSA-N 1 2 349.347 1.493 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000267523299 275809708 /nfs/dbraw/zinc/80/97/08/275809708.db2.gz QKLBNMUEBPVGMU-UHFFFAOYSA-N 1 2 343.387 1.529 20 5 EDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886977 277242688 /nfs/dbraw/zinc/24/26/88/277242688.db2.gz PENTYURUGDFUQI-AWEZNQCLSA-N 1 2 330.344 1.960 20 5 EDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886977 277242689 /nfs/dbraw/zinc/24/26/89/277242689.db2.gz PENTYURUGDFUQI-AWEZNQCLSA-N 1 2 330.344 1.960 20 5 EDBDLO CNc1cc(N2CCC[C@H]2CNc2ccc([N+](=O)[O-])nc2)nc[nH+]1 ZINC000344423421 277302335 /nfs/dbraw/zinc/30/23/35/277302335.db2.gz RPWBIBOUKUDVIE-LBPRGKRZSA-N 1 2 329.364 1.902 20 5 EDBDLO CNc1cc(N2CCC[C@H]2CNc2ccc([N+](=O)[O-])nc2)[nH+]cn1 ZINC000344423421 277302337 /nfs/dbraw/zinc/30/23/37/277302337.db2.gz RPWBIBOUKUDVIE-LBPRGKRZSA-N 1 2 329.364 1.902 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286423211 288002386 /nfs/dbraw/zinc/00/23/86/288002386.db2.gz BGUNIINODSDFGX-CJNGLKHVSA-N 1 2 333.388 1.459 20 5 EDBDLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000368770086 278125116 /nfs/dbraw/zinc/12/51/16/278125116.db2.gz MAGWTMVOWMYMME-CYBMUJFWSA-N 1 2 347.375 1.895 20 5 EDBDLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000368770086 278125118 /nfs/dbraw/zinc/12/51/18/278125118.db2.gz MAGWTMVOWMYMME-CYBMUJFWSA-N 1 2 347.375 1.895 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCOCC1 ZINC000286843914 288102463 /nfs/dbraw/zinc/10/24/63/288102463.db2.gz MRKMAORBNHJWSI-ZDUSSCGKSA-N 1 2 348.363 1.432 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286862886 288107368 /nfs/dbraw/zinc/10/73/68/288107368.db2.gz UZWCCXXANVSBMS-JTQLQIEISA-N 1 2 346.347 1.072 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nncn1C ZINC000287012644 288137040 /nfs/dbraw/zinc/13/70/40/288137040.db2.gz QUSKLUJCPRLYJW-UHFFFAOYSA-N 1 2 332.364 1.492 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nncn1C ZINC000287012644 288137042 /nfs/dbraw/zinc/13/70/42/288137042.db2.gz QUSKLUJCPRLYJW-UHFFFAOYSA-N 1 2 332.364 1.492 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C[C@@H](C)O ZINC000187363867 288274102 /nfs/dbraw/zinc/27/41/02/288274102.db2.gz RLBKQWIXIIBHJO-NEPJUHHUSA-N 1 2 337.376 1.218 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C[C@@H](C)O ZINC000187363867 288274106 /nfs/dbraw/zinc/27/41/06/288274106.db2.gz RLBKQWIXIIBHJO-NEPJUHHUSA-N 1 2 337.376 1.218 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3nccn3C)CC2)n1 ZINC000371981565 281011069 /nfs/dbraw/zinc/01/10/69/281011069.db2.gz XVTYEOAHAJGCNB-UHFFFAOYSA-N 1 2 330.392 1.744 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3nccn3C)CC2)n1 ZINC000371981565 281011071 /nfs/dbraw/zinc/01/10/71/281011071.db2.gz XVTYEOAHAJGCNB-UHFFFAOYSA-N 1 2 330.392 1.744 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000289563387 288731214 /nfs/dbraw/zinc/73/12/14/288731214.db2.gz NXDKJOCPKCTOMD-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000292472410 289357459 /nfs/dbraw/zinc/35/74/59/289357459.db2.gz RKJLPPWSJWAMSE-RYUDHWBXSA-N 1 2 337.376 1.777 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000292472410 289357464 /nfs/dbraw/zinc/35/74/64/289357464.db2.gz RKJLPPWSJWAMSE-RYUDHWBXSA-N 1 2 337.376 1.777 20 5 EDBDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173637677 289984468 /nfs/dbraw/zinc/98/44/68/289984468.db2.gz PLGSEONYGDVYFM-NSHDSACASA-N 1 2 344.375 1.639 20 5 EDBDLO 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288739312 443969666 /nfs/dbraw/zinc/96/96/66/443969666.db2.gz FMPMOZNODWBNOO-RYUDHWBXSA-N 1 2 337.376 1.635 20 5 EDBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000281891868 444032899 /nfs/dbraw/zinc/03/28/99/444032899.db2.gz SXHKMLINRJWDIZ-LLVKDONJSA-N 1 2 332.364 1.912 20 5 EDBDLO O=C1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000568780501 321306696 /nfs/dbraw/zinc/30/66/96/321306696.db2.gz XFOPUSXEVIQSGT-OAHLLOKOSA-N 1 2 334.372 1.922 20 5 EDBDLO O=C1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000568780501 321306698 /nfs/dbraw/zinc/30/66/98/321306698.db2.gz XFOPUSXEVIQSGT-OAHLLOKOSA-N 1 2 334.372 1.922 20 5 EDBDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301763223 444189095 /nfs/dbraw/zinc/18/90/95/444189095.db2.gz GULYJMAVJVWWSG-VIFPVBQESA-N 1 2 344.318 1.192 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289723697 444195107 /nfs/dbraw/zinc/19/51/07/444195107.db2.gz XIKTVODQCSRBCX-UHFFFAOYSA-N 1 2 338.345 1.004 20 5 EDBDLO C[C@H]1[C@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296431206 444228835 /nfs/dbraw/zinc/22/88/35/444228835.db2.gz WDASKGMOHHLBDA-SMDDNHRTSA-N 1 2 328.390 1.214 20 5 EDBDLO C[C@H]1[C@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296431206 444228836 /nfs/dbraw/zinc/22/88/36/444228836.db2.gz WDASKGMOHHLBDA-SMDDNHRTSA-N 1 2 328.390 1.214 20 5 EDBDLO COC(=O)c1cc(NC(=O)NCc2c[nH+]cn2C)c(C)c([N+](=O)[O-])c1 ZINC000290105440 444242772 /nfs/dbraw/zinc/24/27/72/444242772.db2.gz FEVVNJWHDXYYLD-UHFFFAOYSA-N 1 2 347.331 1.745 20 5 EDBDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000297738896 444326782 /nfs/dbraw/zinc/32/67/82/444326782.db2.gz CIVQDEARBXFLIQ-UHFFFAOYSA-N 1 2 332.360 1.148 20 5 EDBDLO CC(C)(C(=O)NCCc1cn2ccccc2[nH+]1)n1cc([N+](=O)[O-])cn1 ZINC000338616636 444776286 /nfs/dbraw/zinc/77/62/86/444776286.db2.gz KCDLSTPFDXOWRK-UHFFFAOYSA-N 1 2 342.359 1.533 20 5 EDBDLO CC(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000344175399 444822460 /nfs/dbraw/zinc/82/24/60/444822460.db2.gz IDHGQTRQYAAWJP-HNNXBMFYSA-N 1 2 339.367 1.821 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341503868 444865182 /nfs/dbraw/zinc/86/51/82/444865182.db2.gz WQYGFTHAHMIPGO-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341503868 444865184 /nfs/dbraw/zinc/86/51/84/444865184.db2.gz WQYGFTHAHMIPGO-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000336880454 444828541 /nfs/dbraw/zinc/82/85/41/444828541.db2.gz QGJWSAVMDQUFOV-GFCCVEGCSA-N 1 2 332.316 1.140 20 5 EDBDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000336880454 444828544 /nfs/dbraw/zinc/82/85/44/444828544.db2.gz QGJWSAVMDQUFOV-GFCCVEGCSA-N 1 2 332.316 1.140 20 5 EDBDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000344358644 444916490 /nfs/dbraw/zinc/91/64/90/444916490.db2.gz FEXAQDSJOFDERC-UONOGXRCSA-N 1 2 337.376 1.577 20 5 EDBDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000344358644 444916495 /nfs/dbraw/zinc/91/64/95/444916495.db2.gz FEXAQDSJOFDERC-UONOGXRCSA-N 1 2 337.376 1.577 20 5 EDBDLO COc1c(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000341696011 444953484 /nfs/dbraw/zinc/95/34/84/444953484.db2.gz DRPDJFNIVFJMIZ-KGLIPLIRSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1c(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000341696011 444953487 /nfs/dbraw/zinc/95/34/87/444953487.db2.gz DRPDJFNIVFJMIZ-KGLIPLIRSA-N 1 2 335.360 1.149 20 5 EDBDLO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000339016283 444987126 /nfs/dbraw/zinc/98/71/26/444987126.db2.gz ITLUWKXXMQCOGN-JTQLQIEISA-N 1 2 345.359 1.502 20 5 EDBDLO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000339016283 444987131 /nfs/dbraw/zinc/98/71/31/444987131.db2.gz ITLUWKXXMQCOGN-JTQLQIEISA-N 1 2 345.359 1.502 20 5 EDBDLO CC(C)(C)C(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000330685628 445095213 /nfs/dbraw/zinc/09/52/13/445095213.db2.gz LRNARPYZDNLRIB-UHFFFAOYSA-N 1 2 337.424 1.760 20 5 EDBDLO CC(C)(C)C(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000330685628 445095216 /nfs/dbraw/zinc/09/52/16/445095216.db2.gz LRNARPYZDNLRIB-UHFFFAOYSA-N 1 2 337.424 1.760 20 5 EDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342081625 445161569 /nfs/dbraw/zinc/16/15/69/445161569.db2.gz YRTVJIJXBRNXSS-ZDUSSCGKSA-N 1 2 343.387 1.572 20 5 EDBDLO CNc1c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343341073 445205313 /nfs/dbraw/zinc/20/53/13/445205313.db2.gz IOBKPOPEMFZIGT-LBPRGKRZSA-N 1 2 334.376 1.230 20 5 EDBDLO CNc1c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343341073 445205314 /nfs/dbraw/zinc/20/53/14/445205314.db2.gz IOBKPOPEMFZIGT-LBPRGKRZSA-N 1 2 334.376 1.230 20 5 EDBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H]1C ZINC000346640921 445220998 /nfs/dbraw/zinc/22/09/98/445220998.db2.gz KJAARVXPXONHHQ-RYUDHWBXSA-N 1 2 335.360 1.725 20 5 EDBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H]1C ZINC000346640921 445221000 /nfs/dbraw/zinc/22/10/00/445221000.db2.gz KJAARVXPXONHHQ-RYUDHWBXSA-N 1 2 335.360 1.725 20 5 EDBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000348313865 445253108 /nfs/dbraw/zinc/25/31/08/445253108.db2.gz RWJIVXIFJZCKDJ-VIFPVBQESA-N 1 2 333.797 1.573 20 5 EDBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000348313865 445253112 /nfs/dbraw/zinc/25/31/12/445253112.db2.gz RWJIVXIFJZCKDJ-VIFPVBQESA-N 1 2 333.797 1.573 20 5 EDBDLO CC(C)(C(=O)NCc1ccn2cc[nH+]c2c1)n1cc([N+](=O)[O-])cn1 ZINC000354788325 445389043 /nfs/dbraw/zinc/38/90/43/445389043.db2.gz LAWAZZUGNXKVAS-UHFFFAOYSA-N 1 2 328.332 1.491 20 5 EDBDLO COc1ccccc1N1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355797242 445483612 /nfs/dbraw/zinc/48/36/12/445483612.db2.gz TVHTZDCCYRHTQF-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO Cc1sc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000360065241 445551327 /nfs/dbraw/zinc/55/13/27/445551327.db2.gz ZOQGWZJVIIAPPS-UHFFFAOYSA-N 1 2 331.419 1.505 20 5 EDBDLO Cc1sc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000360065241 445551330 /nfs/dbraw/zinc/55/13/30/445551330.db2.gz ZOQGWZJVIIAPPS-UHFFFAOYSA-N 1 2 331.419 1.505 20 5 EDBDLO CN(Cc1ccnn1C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000349300456 445558856 /nfs/dbraw/zinc/55/88/56/445558856.db2.gz SLBFEPGXAMCIGM-UHFFFAOYSA-N 1 2 340.343 1.786 20 5 EDBDLO CN1C(=O)N[C@@]2(CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1=O ZINC000352886120 445562806 /nfs/dbraw/zinc/56/28/06/445562806.db2.gz FQEGFLIBYKVSRU-CQSZACIVSA-N 1 2 338.751 1.374 20 5 EDBDLO CN1C(=O)N[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1=O ZINC000352886120 445562809 /nfs/dbraw/zinc/56/28/09/445562809.db2.gz FQEGFLIBYKVSRU-CQSZACIVSA-N 1 2 338.751 1.374 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000362828478 445569923 /nfs/dbraw/zinc/56/99/23/445569923.db2.gz TXHIOKGFHJKBRY-GFCCVEGCSA-N 1 2 338.314 1.489 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000362828478 445569924 /nfs/dbraw/zinc/56/99/24/445569924.db2.gz TXHIOKGFHJKBRY-GFCCVEGCSA-N 1 2 338.314 1.489 20 5 EDBDLO CCOC[C@@H](O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353532304 445645280 /nfs/dbraw/zinc/64/52/80/445645280.db2.gz WCMWYJMORBRUCK-GJZGRUSLSA-N 1 2 334.376 1.405 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353837006 445777646 /nfs/dbraw/zinc/77/76/46/445777646.db2.gz AUGJFUSRFCJNKF-UHFFFAOYSA-N 1 2 344.327 1.757 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353851328 445783617 /nfs/dbraw/zinc/78/36/17/445783617.db2.gz YCCDLLQCDUOSRG-UHFFFAOYSA-N 1 2 340.299 1.831 20 5 EDBDLO CCOCC[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356573797 445865268 /nfs/dbraw/zinc/86/52/68/445865268.db2.gz HHAXCUJBHXUBNH-GFCCVEGCSA-N 1 2 337.376 1.483 20 5 EDBDLO CCOCC[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356573797 445865273 /nfs/dbraw/zinc/86/52/73/445865273.db2.gz HHAXCUJBHXUBNH-GFCCVEGCSA-N 1 2 337.376 1.483 20 5 EDBDLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)CC1 ZINC000369253929 446025323 /nfs/dbraw/zinc/02/53/23/446025323.db2.gz IWCUPOUXSFFEGL-ZDUSSCGKSA-N 1 2 348.403 1.199 20 5 EDBDLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)CC1 ZINC000369253929 446025328 /nfs/dbraw/zinc/02/53/28/446025328.db2.gz IWCUPOUXSFFEGL-ZDUSSCGKSA-N 1 2 348.403 1.199 20 5 EDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000373101471 446028380 /nfs/dbraw/zinc/02/83/80/446028380.db2.gz ITMGQDJYUUJKPG-MGPQQGTHSA-N 1 2 329.360 1.418 20 5 EDBDLO Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(N(C)C)[nH+]1 ZINC000359233035 446064540 /nfs/dbraw/zinc/06/45/40/446064540.db2.gz OPISYHCBIQVCEM-UHFFFAOYSA-N 1 2 343.391 1.481 20 5 EDBDLO Cc1nc(N(C)C)nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000359233035 446064544 /nfs/dbraw/zinc/06/45/44/446064544.db2.gz OPISYHCBIQVCEM-UHFFFAOYSA-N 1 2 343.391 1.481 20 5 EDBDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C1CCC1 ZINC000365804816 446350285 /nfs/dbraw/zinc/35/02/85/446350285.db2.gz GSMWTCDNPIRQPR-CYBMUJFWSA-N 1 2 348.359 1.994 20 5 EDBDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C1CCC1 ZINC000365804816 446350286 /nfs/dbraw/zinc/35/02/86/446350286.db2.gz GSMWTCDNPIRQPR-CYBMUJFWSA-N 1 2 348.359 1.994 20 5 EDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366913286 446409370 /nfs/dbraw/zinc/40/93/70/446409370.db2.gz NKTZHHIQCAHDJO-CHWSQXEVSA-N 1 2 343.343 1.355 20 5 EDBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366913286 446409373 /nfs/dbraw/zinc/40/93/73/446409373.db2.gz NKTZHHIQCAHDJO-CHWSQXEVSA-N 1 2 343.343 1.355 20 5 EDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000375201325 446639881 /nfs/dbraw/zinc/63/98/81/446639881.db2.gz LKTNLWQGVNBVRK-UHFFFAOYSA-N 1 2 336.373 1.445 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423743221 446673361 /nfs/dbraw/zinc/67/33/61/446673361.db2.gz ZTXYEDRGHNCLBN-GFCCVEGCSA-N 1 2 331.332 1.674 20 5 EDBDLO C[C@H]1C[C@H](CO)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420928508 446898831 /nfs/dbraw/zinc/89/88/31/446898831.db2.gz ANUCKQGGCGIXKO-STQMWFEESA-N 1 2 342.417 1.319 20 5 EDBDLO C[C@H]1C[C@H](CO)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420928508 446898837 /nfs/dbraw/zinc/89/88/37/446898837.db2.gz ANUCKQGGCGIXKO-STQMWFEESA-N 1 2 342.417 1.319 20 5 EDBDLO CN(C)C(=O)COC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413165134 447044084 /nfs/dbraw/zinc/04/40/84/447044084.db2.gz DQKPCFWWHRVNSL-UHFFFAOYSA-N 1 2 330.344 1.436 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@@H](C)O1 ZINC000446068448 447227291 /nfs/dbraw/zinc/22/72/91/447227291.db2.gz CTVLKRAUDQSOIT-FRRDWIJNSA-N 1 2 333.388 1.982 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@@H](C)O1 ZINC000446068448 447227299 /nfs/dbraw/zinc/22/72/99/447227299.db2.gz CTVLKRAUDQSOIT-FRRDWIJNSA-N 1 2 333.388 1.982 20 5 EDBDLO CNc1nc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000455927329 447259527 /nfs/dbraw/zinc/25/95/27/447259527.db2.gz ZRPMKHADAHWSBH-GFCCVEGCSA-N 1 2 343.343 1.720 20 5 EDBDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450529433 447516794 /nfs/dbraw/zinc/51/67/94/447516794.db2.gz NLUAKTSVTYGTJG-CQSZACIVSA-N 1 2 347.375 1.545 20 5 EDBDLO O=C(NC[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456879068 447473109 /nfs/dbraw/zinc/47/31/09/447473109.db2.gz KHDCCEKIFPSWJW-OAHLLOKOSA-N 1 2 330.344 1.671 20 5 EDBDLO Cc1c(C(=O)NC2C[NH+](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457758760 447626782 /nfs/dbraw/zinc/62/67/82/447626782.db2.gz ZPFFUWAXDIFSDS-UHFFFAOYSA-N 1 2 344.375 1.306 20 5 EDBDLO O=c1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc(C2CC2)[nH]1 ZINC000459401987 447653070 /nfs/dbraw/zinc/65/30/70/447653070.db2.gz OFODTBKKHIXCND-UHFFFAOYSA-N 1 2 327.344 1.921 20 5 EDBDLO O=c1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nc(C2CC2)[nH]1 ZINC000459401987 447653077 /nfs/dbraw/zinc/65/30/77/447653077.db2.gz OFODTBKKHIXCND-UHFFFAOYSA-N 1 2 327.344 1.921 20 5 EDBDLO CCN(C)C(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451112990 447687310 /nfs/dbraw/zinc/68/73/10/447687310.db2.gz JBWYZEVTKSLDHN-NSHDSACASA-N 1 2 345.359 1.377 20 5 EDBDLO COC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452035797 447806682 /nfs/dbraw/zinc/80/66/82/447806682.db2.gz HIYHWLBLMSOCTB-CQSZACIVSA-N 1 2 342.417 1.869 20 5 EDBDLO COC[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452035797 447806685 /nfs/dbraw/zinc/80/66/85/447806685.db2.gz HIYHWLBLMSOCTB-CQSZACIVSA-N 1 2 342.417 1.869 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000496667908 447844832 /nfs/dbraw/zinc/84/48/32/447844832.db2.gz NUURMWHYURBAHN-OAHLLOKOSA-N 1 2 339.396 1.986 20 5 EDBDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000496667908 447844833 /nfs/dbraw/zinc/84/48/33/447844833.db2.gz NUURMWHYURBAHN-OAHLLOKOSA-N 1 2 339.396 1.986 20 5 EDBDLO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490087703 447887891 /nfs/dbraw/zinc/88/78/91/447887891.db2.gz HIJKBHVMCWTAFW-GFCCVEGCSA-N 1 2 328.340 1.980 20 5 EDBDLO COCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490087703 447887898 /nfs/dbraw/zinc/88/78/98/447887898.db2.gz HIJKBHVMCWTAFW-GFCCVEGCSA-N 1 2 328.340 1.980 20 5 EDBDLO COc1nccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000576462573 448061756 /nfs/dbraw/zinc/06/17/56/448061756.db2.gz MFQOUYYWUHTNPT-UHFFFAOYSA-N 1 2 330.348 1.111 20 5 EDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000532043344 448187821 /nfs/dbraw/zinc/18/78/21/448187821.db2.gz HKNINQHEGVNZMM-JTQLQIEISA-N 1 2 337.361 1.281 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000577210185 448237174 /nfs/dbraw/zinc/23/71/74/448237174.db2.gz QLYVDLOMLGOIME-ZJUUUORDSA-N 1 2 335.368 1.428 20 5 EDBDLO C[N@H+](CCN1CCCC1=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532572341 448274910 /nfs/dbraw/zinc/27/49/10/448274910.db2.gz DFGFMNDFIRWQKH-UHFFFAOYSA-N 1 2 346.387 1.038 20 5 EDBDLO C[N@@H+](CCN1CCCC1=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532572341 448274913 /nfs/dbraw/zinc/27/49/13/448274913.db2.gz DFGFMNDFIRWQKH-UHFFFAOYSA-N 1 2 346.387 1.038 20 5 EDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000572993433 448516294 /nfs/dbraw/zinc/51/62/94/448516294.db2.gz LMAJKDKGPIYNJA-ZDUSSCGKSA-N 1 2 344.371 1.379 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000566865103 448575597 /nfs/dbraw/zinc/57/55/97/448575597.db2.gz FTGGEZDDKYDZCH-PWSUYJOCSA-N 1 2 330.348 1.492 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000517796215 448619056 /nfs/dbraw/zinc/61/90/56/448619056.db2.gz UVCGMVSJHFETJF-JTQLQIEISA-N 1 2 333.348 1.376 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000517796215 448619060 /nfs/dbraw/zinc/61/90/60/448619060.db2.gz UVCGMVSJHFETJF-JTQLQIEISA-N 1 2 333.348 1.376 20 5 EDBDLO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586774711 448808049 /nfs/dbraw/zinc/80/80/49/448808049.db2.gz LMQUHRDHPANYDT-UHFFFAOYSA-N 1 2 349.387 1.675 20 5 EDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCc2c[nH+]cn2C1 ZINC000587050979 448833645 /nfs/dbraw/zinc/83/36/45/448833645.db2.gz GOGYCHJEWDHFQE-LBPRGKRZSA-N 1 2 330.344 1.691 20 5 EDBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000568554507 448888531 /nfs/dbraw/zinc/88/85/31/448888531.db2.gz YGFZVNDBPRVZIO-UHFFFAOYSA-N 1 2 344.331 1.460 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589502265 449026672 /nfs/dbraw/zinc/02/66/72/449026672.db2.gz SFYLGJFHJXEIIN-ZDUSSCGKSA-N 1 2 348.277 1.881 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589502265 449026675 /nfs/dbraw/zinc/02/66/75/449026675.db2.gz SFYLGJFHJXEIIN-ZDUSSCGKSA-N 1 2 348.277 1.881 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000593022948 449105501 /nfs/dbraw/zinc/10/55/01/449105501.db2.gz LFDLOSJYOOLJDY-STFLBKPXSA-N 1 2 328.390 1.580 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000593022948 449105506 /nfs/dbraw/zinc/10/55/06/449105506.db2.gz LFDLOSJYOOLJDY-STFLBKPXSA-N 1 2 328.390 1.580 20 5 EDBDLO O=C(C[NH+]1CCC(Cn2cnnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593075502 449123575 /nfs/dbraw/zinc/12/35/75/449123575.db2.gz FVZPWFKTDMVOTF-UHFFFAOYSA-N 1 2 344.375 1.537 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590573277 449197165 /nfs/dbraw/zinc/19/71/65/449197165.db2.gz UTMMBPAMCMKZDT-UHFFFAOYSA-N 1 2 332.364 1.499 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2nccnc2C1 ZINC000595865843 449217706 /nfs/dbraw/zinc/21/77/06/449217706.db2.gz XYBFGHHORZMTJQ-GFCCVEGCSA-N 1 2 330.344 1.183 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2nccnc2C1 ZINC000595865843 449217708 /nfs/dbraw/zinc/21/77/08/449217708.db2.gz XYBFGHHORZMTJQ-GFCCVEGCSA-N 1 2 330.344 1.183 20 5 EDBDLO C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000590565474 449193168 /nfs/dbraw/zinc/19/31/68/449193168.db2.gz TXJXSJGJZPFCLB-MRVPVSSYSA-N 1 2 349.372 1.386 20 5 EDBDLO C[NH+](C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000596130449 449379231 /nfs/dbraw/zinc/37/92/31/449379231.db2.gz XRLMAXUWJRWWIB-GFCCVEGCSA-N 1 2 337.330 2.565 20 5 EDBDLO CC(C)Oc1nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596426489 449497112 /nfs/dbraw/zinc/49/71/12/449497112.db2.gz AQVWGYVUANRSBU-STQMWFEESA-N 1 2 338.408 2.298 20 5 EDBDLO CC(C)Oc1nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596426489 449497119 /nfs/dbraw/zinc/49/71/19/449497119.db2.gz AQVWGYVUANRSBU-STQMWFEESA-N 1 2 338.408 2.298 20 5 EDBDLO COc1cccc(N2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000602433997 449584014 /nfs/dbraw/zinc/58/40/14/449584014.db2.gz NVMSXNPWOVYPLT-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO COCC[N@H+](C)Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594654080 449609634 /nfs/dbraw/zinc/60/96/34/449609634.db2.gz UMNDYJYDHOKZSQ-UHFFFAOYSA-N 1 2 325.756 1.907 20 5 EDBDLO COCC[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594654080 449609636 /nfs/dbraw/zinc/60/96/36/449609636.db2.gz UMNDYJYDHOKZSQ-UHFFFAOYSA-N 1 2 325.756 1.907 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000598940701 449658859 /nfs/dbraw/zinc/65/88/59/449658859.db2.gz QPFGLJKOLCHJJN-UHFFFAOYSA-N 1 2 346.343 1.428 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000598940701 449658865 /nfs/dbraw/zinc/65/88/65/449658865.db2.gz QPFGLJKOLCHJJN-UHFFFAOYSA-N 1 2 346.343 1.428 20 5 EDBDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756194 449670697 /nfs/dbraw/zinc/67/06/97/449670697.db2.gz ZQJPGQZTYWSOGF-NSHDSACASA-N 1 2 328.394 1.143 20 5 EDBDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756194 449670705 /nfs/dbraw/zinc/67/07/05/449670705.db2.gz ZQJPGQZTYWSOGF-NSHDSACASA-N 1 2 328.394 1.143 20 5 EDBDLO CCN(CC)C(=O)N1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602756027 449786314 /nfs/dbraw/zinc/78/63/14/449786314.db2.gz JGUBHGFEMXGDHF-UHFFFAOYSA-N 1 2 338.412 1.179 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601378735 449894206 /nfs/dbraw/zinc/89/42/06/449894206.db2.gz WSSIIJRXBBEROW-VIFPVBQESA-N 1 2 333.435 1.679 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601378735 449894209 /nfs/dbraw/zinc/89/42/09/449894209.db2.gz WSSIIJRXBBEROW-VIFPVBQESA-N 1 2 333.435 1.679 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599569399 450071092 /nfs/dbraw/zinc/07/10/92/450071092.db2.gz LXWVVJQVUZGZIN-HNNXBMFYSA-N 1 2 335.316 1.500 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599569399 450071095 /nfs/dbraw/zinc/07/10/95/450071095.db2.gz LXWVVJQVUZGZIN-HNNXBMFYSA-N 1 2 335.316 1.500 20 5 EDBDLO CCOC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618701 450108392 /nfs/dbraw/zinc/10/83/92/450108392.db2.gz LWXDOWSIFPTEHJ-HOCLYGCPSA-N 1 2 340.376 1.072 20 5 EDBDLO CCOC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618701 450108398 /nfs/dbraw/zinc/10/83/98/450108398.db2.gz LWXDOWSIFPTEHJ-HOCLYGCPSA-N 1 2 340.376 1.072 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599641385 450122177 /nfs/dbraw/zinc/12/21/77/450122177.db2.gz GZXHEUMWQOYCLH-HIFRSBDPSA-N 1 2 328.340 1.395 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599641385 450122181 /nfs/dbraw/zinc/12/21/81/450122181.db2.gz GZXHEUMWQOYCLH-HIFRSBDPSA-N 1 2 328.340 1.395 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])c1 ZINC000599642845 450123639 /nfs/dbraw/zinc/12/36/39/450123639.db2.gz WSMKHRBFRNDSGS-CYBMUJFWSA-N 1 2 343.343 1.526 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])c1 ZINC000599642845 450123647 /nfs/dbraw/zinc/12/36/47/450123647.db2.gz WSMKHRBFRNDSGS-CYBMUJFWSA-N 1 2 343.343 1.526 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595441037 450145679 /nfs/dbraw/zinc/14/56/79/450145679.db2.gz ITIJTRNQVGBOMV-QWRGUYRKSA-N 1 2 327.337 1.434 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595441037 450145680 /nfs/dbraw/zinc/14/56/80/450145680.db2.gz ITIJTRNQVGBOMV-QWRGUYRKSA-N 1 2 327.337 1.434 20 5 EDBDLO CC(C)(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610913663 450379854 /nfs/dbraw/zinc/37/98/54/450379854.db2.gz PCHBRUGPBAUFDJ-INIZCTEOSA-N 1 2 347.415 1.806 20 5 EDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000181256522 534740878 /nfs/dbraw/zinc/74/08/78/534740878.db2.gz LOHNMPZBWWXCQJ-NSHDSACASA-N 1 2 327.344 1.581 20 5 EDBDLO Cn1cccc1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471946 534782347 /nfs/dbraw/zinc/78/23/47/534782347.db2.gz XCYCNFBQKKGJTD-LBPRGKRZSA-N 1 2 329.360 1.697 20 5 EDBDLO Cn1cccc1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471946 534782352 /nfs/dbraw/zinc/78/23/52/534782352.db2.gz XCYCNFBQKKGJTD-LBPRGKRZSA-N 1 2 329.360 1.697 20 5 EDBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154475989 526281083 /nfs/dbraw/zinc/28/10/83/526281083.db2.gz JBEIMMLAIDRADZ-AWEZNQCLSA-N 1 2 344.433 1.773 20 5 EDBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154475989 526281087 /nfs/dbraw/zinc/28/10/87/526281087.db2.gz JBEIMMLAIDRADZ-AWEZNQCLSA-N 1 2 344.433 1.773 20 5 EDBDLO CCOC[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181944180 528939785 /nfs/dbraw/zinc/93/97/85/528939785.db2.gz JMFFIFAHOVMJKR-CYBMUJFWSA-N 1 2 342.417 1.727 20 5 EDBDLO CCOC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181944180 528939791 /nfs/dbraw/zinc/93/97/91/528939791.db2.gz JMFFIFAHOVMJKR-CYBMUJFWSA-N 1 2 342.417 1.727 20 5 EDBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741145366 579398957 /nfs/dbraw/zinc/39/89/57/579398957.db2.gz TVHMZTJJOPSJPK-BXUZGUMPSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741145366 579398959 /nfs/dbraw/zinc/39/89/59/579398959.db2.gz TVHMZTJJOPSJPK-BXUZGUMPSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729384616 578566782 /nfs/dbraw/zinc/56/67/82/578566782.db2.gz AGENNQMGPPTHPM-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729384616 578566783 /nfs/dbraw/zinc/56/67/83/578566783.db2.gz AGENNQMGPPTHPM-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000778251746 580459938 /nfs/dbraw/zinc/45/99/38/580459938.db2.gz CNLMKXJCCKAZQY-ZANVPECISA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000778251746 580459939 /nfs/dbraw/zinc/45/99/39/580459939.db2.gz CNLMKXJCCKAZQY-ZANVPECISA-N 1 2 327.768 1.889 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778232468 580459369 /nfs/dbraw/zinc/45/93/69/580459369.db2.gz IPBWYMLQTAUHQG-KKUMJFAQSA-N 1 2 338.360 1.281 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778232468 580459370 /nfs/dbraw/zinc/45/93/70/580459370.db2.gz IPBWYMLQTAUHQG-KKUMJFAQSA-N 1 2 338.360 1.281 20 5 EDBDLO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000776581338 580422144 /nfs/dbraw/zinc/42/21/44/580422144.db2.gz DAEPWOSLJGCOAM-FZMZJTMJSA-N 1 2 330.406 1.383 20 5 EDBDLO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000776581338 580422145 /nfs/dbraw/zinc/42/21/45/580422145.db2.gz DAEPWOSLJGCOAM-FZMZJTMJSA-N 1 2 330.406 1.383 20 5 EDBDLO COCCc1noc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586773 580422507 /nfs/dbraw/zinc/42/25/07/580422507.db2.gz PFGJLYYJNSDBLX-ZDUSSCGKSA-N 1 2 336.348 1.332 20 5 EDBDLO COCCc1noc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586773 580422508 /nfs/dbraw/zinc/42/25/08/580422508.db2.gz PFGJLYYJNSDBLX-ZDUSSCGKSA-N 1 2 336.348 1.332 20 5 EDBDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776592642 580423133 /nfs/dbraw/zinc/42/31/33/580423133.db2.gz WTNQTAZWQRDEQI-CQSZACIVSA-N 1 2 349.416 1.610 20 5 EDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000779562085 580489474 /nfs/dbraw/zinc/48/94/74/580489474.db2.gz CREDBVIMEBMYSI-GFCCVEGCSA-N 1 2 332.316 1.071 20 5 EDBDLO CCNc1ccc(C(=O)O[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000782240977 580569678 /nfs/dbraw/zinc/56/96/78/580569678.db2.gz PPFZRVNFTCZIGT-GFCCVEGCSA-N 1 2 337.376 1.904 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789538963 580748814 /nfs/dbraw/zinc/74/88/14/580748814.db2.gz CSHPUUPLSXBKFK-MRXNPFEDSA-N 1 2 333.344 1.963 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789538963 580748815 /nfs/dbraw/zinc/74/88/15/580748815.db2.gz CSHPUUPLSXBKFK-MRXNPFEDSA-N 1 2 333.344 1.963 20 5 EDBDLO CC(=O)OC1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794636775 580901109 /nfs/dbraw/zinc/90/11/09/580901109.db2.gz NEZBATRYDVHEQZ-UHFFFAOYSA-N 1 2 335.316 1.488 20 5 EDBDLO Cc1nn(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794668151 580902096 /nfs/dbraw/zinc/90/20/96/580902096.db2.gz QAGSEFLHMXLUSJ-BLLLJJGKSA-N 1 2 347.375 1.485 20 5 EDBDLO Cc1nn(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794668151 580902097 /nfs/dbraw/zinc/90/20/97/580902097.db2.gz QAGSEFLHMXLUSJ-BLLLJJGKSA-N 1 2 347.375 1.485 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796563961 580956559 /nfs/dbraw/zinc/95/65/59/580956559.db2.gz RSKFYDYSBYTMKP-UHFFFAOYSA-N 1 2 325.756 1.334 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796563961 580956560 /nfs/dbraw/zinc/95/65/60/580956560.db2.gz RSKFYDYSBYTMKP-UHFFFAOYSA-N 1 2 325.756 1.334 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000800154438 581045313 /nfs/dbraw/zinc/04/53/13/581045313.db2.gz QPHAGXCXUGQUCC-NSHDSACASA-N 1 2 342.323 1.377 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000800154438 581045314 /nfs/dbraw/zinc/04/53/14/581045314.db2.gz QPHAGXCXUGQUCC-NSHDSACASA-N 1 2 342.323 1.377 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801516862 581078847 /nfs/dbraw/zinc/07/88/47/581078847.db2.gz SHOVKPXWRWFPIJ-UHFFFAOYSA-N 1 2 333.367 1.785 20 5 EDBDLO COc1c(O)ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[N+](=O)[O-] ZINC000895627944 591235686 /nfs/dbraw/zinc/23/56/86/591235686.db2.gz IXGYDCMOTMBXDL-WCBZVUCDSA-N 1 2 340.401 1.794 20 5 EDBDLO COc1c(O)ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[N+](=O)[O-] ZINC000895627944 591235687 /nfs/dbraw/zinc/23/56/87/591235687.db2.gz IXGYDCMOTMBXDL-WCBZVUCDSA-N 1 2 340.401 1.794 20 5 EDBDLO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895771956 591270205 /nfs/dbraw/zinc/27/02/05/591270205.db2.gz VAGJHHPKLFAAAO-LBPRGKRZSA-N 1 2 329.360 1.675 20 5 EDBDLO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895771956 591270206 /nfs/dbraw/zinc/27/02/06/591270206.db2.gz VAGJHHPKLFAAAO-LBPRGKRZSA-N 1 2 329.360 1.675 20 5 EDBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2COCC[N@@H+]2C)cc1C ZINC000894758210 591410066 /nfs/dbraw/zinc/41/00/66/591410066.db2.gz DMOPWOGGZIJMQJ-LBPRGKRZSA-N 1 2 337.376 1.822 20 5 EDBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2COCC[N@H+]2C)cc1C ZINC000894758210 591410069 /nfs/dbraw/zinc/41/00/69/591410069.db2.gz DMOPWOGGZIJMQJ-LBPRGKRZSA-N 1 2 337.376 1.822 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000894803182 591422087 /nfs/dbraw/zinc/42/20/87/591422087.db2.gz UXWOVGRPTKQFPB-UHFFFAOYSA-N 1 2 344.375 1.039 20 5 EDBDLO C[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000896541022 591504541 /nfs/dbraw/zinc/50/45/41/591504541.db2.gz BZJQMUFHUCFWGA-XEZPLFJOSA-N 1 2 334.420 1.449 20 5 EDBDLO C[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000896541022 591504542 /nfs/dbraw/zinc/50/45/42/591504542.db2.gz BZJQMUFHUCFWGA-XEZPLFJOSA-N 1 2 334.420 1.449 20 5 EDBDLO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000899712338 591916367 /nfs/dbraw/zinc/91/63/67/591916367.db2.gz ZLALPVADJRBCQE-UHFFFAOYSA-N 1 2 337.767 1.786 20 5 EDBDLO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc2)CC1 ZINC000839705752 593372037 /nfs/dbraw/zinc/37/20/37/593372037.db2.gz IWUKNHHRUWCGLE-ZIAGYGMSSA-N 1 2 333.392 1.216 20 5 EDBDLO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839717105 593373162 /nfs/dbraw/zinc/37/31/62/593373162.db2.gz GDNSVCDGNGLPIB-JXJLXUTGSA-N 1 2 325.315 1.491 20 5 EDBDLO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000839717105 593373164 /nfs/dbraw/zinc/37/31/64/593373164.db2.gz GDNSVCDGNGLPIB-JXJLXUTGSA-N 1 2 325.315 1.491 20 5 EDBDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000804179659 593394560 /nfs/dbraw/zinc/39/45/60/593394560.db2.gz LOMJDXLCMQDGIB-LBPRGKRZSA-N 1 2 349.734 1.634 20 5 EDBDLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000804179659 593394563 /nfs/dbraw/zinc/39/45/63/593394563.db2.gz LOMJDXLCMQDGIB-LBPRGKRZSA-N 1 2 349.734 1.634 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804337401 593406609 /nfs/dbraw/zinc/40/66/09/593406609.db2.gz ZOUPUJHWXHGJFS-LLVKDONJSA-N 1 2 329.360 1.602 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840317890 593582732 /nfs/dbraw/zinc/58/27/32/593582732.db2.gz DKGIPRKFIGXGHH-DJIMGWMZSA-N 1 2 347.415 1.401 20 5 EDBDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815030354 593610630 /nfs/dbraw/zinc/61/06/30/593610630.db2.gz KWCFXWAEXLJBRB-UHFFFAOYSA-N 1 2 348.743 1.599 20 5 EDBDLO Cc1c(CC(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000823030762 594140695 /nfs/dbraw/zinc/14/06/95/594140695.db2.gz YMPUPJMMVBBLCK-UHFFFAOYSA-N 1 2 343.387 1.513 20 5 EDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000823620833 594222071 /nfs/dbraw/zinc/22/20/71/594222071.db2.gz QSSRJRLEQYISKK-JTQLQIEISA-N 1 2 341.335 1.208 20 5 EDBDLO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000825693614 594227438 /nfs/dbraw/zinc/22/74/38/594227438.db2.gz FKZWOJAMEBMEKF-HUUCEWRRSA-N 1 2 330.344 1.688 20 5 EDBDLO O=C(N[C@@H](CCO)C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000826998348 594620403 /nfs/dbraw/zinc/62/04/03/594620403.db2.gz DDEDEWDFWFWQNM-ZDUSSCGKSA-N 1 2 330.344 1.671 20 5 EDBDLO COc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000831743507 594698351 /nfs/dbraw/zinc/69/83/51/594698351.db2.gz DFUCMQGSAVACCS-JTQLQIEISA-N 1 2 338.345 1.223 20 5 EDBDLO O=C(OC[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835365275 594817932 /nfs/dbraw/zinc/81/79/32/594817932.db2.gz GOLKERDOIHDJQW-NSHDSACASA-N 1 2 330.300 1.073 20 5 EDBDLO CC(C)(CCC(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1)[N+](=O)[O-] ZINC000835367218 594818287 /nfs/dbraw/zinc/81/82/87/594818287.db2.gz RWIPHDBXNATCFH-ZDUSSCGKSA-N 1 2 336.392 1.820 20 5 EDBDLO CC(C)(CCC(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1)[N+](=O)[O-] ZINC000835367218 594818289 /nfs/dbraw/zinc/81/82/89/594818289.db2.gz RWIPHDBXNATCFH-ZDUSSCGKSA-N 1 2 336.392 1.820 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000845720523 595050449 /nfs/dbraw/zinc/05/04/49/595050449.db2.gz CVGBNDSSVBZRRZ-LLVKDONJSA-N 1 2 342.193 1.613 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000845720523 595050454 /nfs/dbraw/zinc/05/04/54/595050454.db2.gz CVGBNDSSVBZRRZ-LLVKDONJSA-N 1 2 342.193 1.613 20 5 EDBDLO Cn1c[nH+]cc1CCOC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000837386095 595097770 /nfs/dbraw/zinc/09/77/70/595097770.db2.gz IFNDQKADMMUVMD-UHFFFAOYSA-N 1 2 346.299 1.022 20 5 EDBDLO NC(COC[C@H]1CCOC1)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842662844 595164074 /nfs/dbraw/zinc/16/40/74/595164074.db2.gz WRIJUGRWHKMJRJ-NSHDSACASA-N 1 2 327.312 1.785 20 5 EDBDLO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000840569520 595266029 /nfs/dbraw/zinc/26/60/29/595266029.db2.gz KAUCYZITPCRGQX-UHFFFAOYSA-N 1 2 339.367 1.917 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844400720 595337231 /nfs/dbraw/zinc/33/72/31/595337231.db2.gz AACAWFJVVXTLAM-GHMZBOCLSA-N 1 2 343.767 1.268 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844400720 595337233 /nfs/dbraw/zinc/33/72/33/595337233.db2.gz AACAWFJVVXTLAM-GHMZBOCLSA-N 1 2 343.767 1.268 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000848669144 595425616 /nfs/dbraw/zinc/42/56/16/595425616.db2.gz WQPUMJBYRCYEDT-JOCHJYFZSA-N 1 2 327.406 1.104 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299150 596116267 /nfs/dbraw/zinc/11/62/67/596116267.db2.gz NALFISBLAOVLIO-NSHDSACASA-N 1 2 344.371 1.792 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299150 596116269 /nfs/dbraw/zinc/11/62/69/596116269.db2.gz NALFISBLAOVLIO-NSHDSACASA-N 1 2 344.371 1.792 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(C)c1[N+](=O)[O-] ZINC000857232661 596193692 /nfs/dbraw/zinc/19/36/92/596193692.db2.gz IFVSWNCABOYXNW-SNVBAGLBSA-N 1 2 349.359 1.439 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868875768 596334310 /nfs/dbraw/zinc/33/43/10/596334310.db2.gz XHNPIRJYGQRNOM-UHFFFAOYSA-N 1 2 339.367 1.503 20 5 EDBDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000863293675 596541030 /nfs/dbraw/zinc/54/10/30/596541030.db2.gz FKTWHTJKBSNOCQ-UHFFFAOYSA-N 1 2 327.385 1.904 20 5 EDBDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000863293675 596541032 /nfs/dbraw/zinc/54/10/32/596541032.db2.gz FKTWHTJKBSNOCQ-UHFFFAOYSA-N 1 2 327.385 1.904 20 5 EDBDLO CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)Cc2ccc[nH+]c21 ZINC000867898861 596607814 /nfs/dbraw/zinc/60/78/14/596607814.db2.gz OBDDGZHXZWORIN-UHFFFAOYSA-N 1 2 348.384 1.631 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870066446 596731657 /nfs/dbraw/zinc/73/16/57/596731657.db2.gz CCCBXRMOHMQYKA-CQSZACIVSA-N 1 2 349.387 1.076 20 5 EDBDLO Cc1nn(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000872679176 597028706 /nfs/dbraw/zinc/02/87/06/597028706.db2.gz KCLNPOBHCCCUIH-GFCCVEGCSA-N 1 2 341.318 1.961 20 5 EDBDLO Cc1nn(C[N@H+]2CCO[C@@H](C(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000872679176 597028708 /nfs/dbraw/zinc/02/87/08/597028708.db2.gz KCLNPOBHCCCUIH-GFCCVEGCSA-N 1 2 341.318 1.961 20 5 EDBDLO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)S(C)(=O)=O ZINC000124336080 597148471 /nfs/dbraw/zinc/14/84/71/597148471.db2.gz RXNQHZLDCVKTGI-ZDUSSCGKSA-N 1 2 330.406 1.383 20 5 EDBDLO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)S(C)(=O)=O ZINC000124336080 597148473 /nfs/dbraw/zinc/14/84/73/597148473.db2.gz RXNQHZLDCVKTGI-ZDUSSCGKSA-N 1 2 330.406 1.383 20 5 EDBDLO COCC[N@H+](C)Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000881353336 598131869 /nfs/dbraw/zinc/13/18/69/598131869.db2.gz ZYMMFAKSMZALED-UHFFFAOYSA-N 1 2 339.783 1.966 20 5 EDBDLO COCC[N@@H+](C)Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000881353336 598131870 /nfs/dbraw/zinc/13/18/70/598131870.db2.gz ZYMMFAKSMZALED-UHFFFAOYSA-N 1 2 339.783 1.966 20 5 EDBDLO CC(=O)OC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000153526325 695767740 /nfs/dbraw/zinc/76/77/40/695767740.db2.gz QSXWONMYAUZKDT-UHFFFAOYSA-N 1 2 335.360 1.869 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661962 697437034 /nfs/dbraw/zinc/43/70/34/697437034.db2.gz OUEPZRPTAJSLBJ-BXUZGUMPSA-N 1 2 341.770 1.692 20 5 EDBDLO CN(C(=O)C(F)F)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005011381 707930239 /nfs/dbraw/zinc/93/02/39/707930239.db2.gz DPQRXRXMFGEEHQ-UHFFFAOYSA-N 1 2 331.323 1.016 20 5 EDBDLO Cn1cnc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC001002601001 709161356 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EDBDLO COCC(COC)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000412434304 304008043 /nfs/dbraw/zinc/00/80/43/304008043.db2.gz HFWHWZWTUGUHRV-UHFFFAOYSA-N 1 2 343.405 1.076 20 5 EDBDLO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123742474 138320865 /nfs/dbraw/zinc/32/08/65/138320865.db2.gz OQGFOLVARJNLOF-UHFFFAOYSA-N 1 2 333.435 1.681 20 5 EDBDLO CC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123742474 138320866 /nfs/dbraw/zinc/32/08/66/138320866.db2.gz OQGFOLVARJNLOF-UHFFFAOYSA-N 1 2 333.435 1.681 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130552929 138342223 /nfs/dbraw/zinc/34/22/23/138342223.db2.gz DWMSMPHSEYMLNA-CYBMUJFWSA-N 1 2 344.375 1.280 20 5 EDBDLO C[C@@H]1C[C@@H](O)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452071210 297289344 /nfs/dbraw/zinc/28/93/44/297289344.db2.gz QNUIKCRLBSLFOF-DGCLKSJQSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@@H]1C[C@@H](O)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452071210 297289346 /nfs/dbraw/zinc/28/93/46/297289346.db2.gz QNUIKCRLBSLFOF-DGCLKSJQSA-N 1 2 328.390 1.071 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@](F)(CO)C1 ZINC000338417995 285113092 /nfs/dbraw/zinc/11/30/92/285113092.db2.gz FAXPYTIBDFKJMG-MRXNPFEDSA-N 1 2 339.367 1.338 20 5 EDBDLO C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000491967514 255156304 /nfs/dbraw/zinc/15/63/04/255156304.db2.gz HHDAHQKSHXZPPN-NWDGAFQWSA-N 1 2 339.396 1.984 20 5 EDBDLO C[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000491967514 255156305 /nfs/dbraw/zinc/15/63/05/255156305.db2.gz HHDAHQKSHXZPPN-NWDGAFQWSA-N 1 2 339.396 1.984 20 5 EDBDLO CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000119194026 221263188 /nfs/dbraw/zinc/26/31/88/221263188.db2.gz BHTSSFVCAAZUOP-UHFFFAOYSA-N 1 2 330.344 1.566 20 5 EDBDLO CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000119194026 221263191 /nfs/dbraw/zinc/26/31/91/221263191.db2.gz BHTSSFVCAAZUOP-UHFFFAOYSA-N 1 2 330.344 1.566 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264300973 139395083 /nfs/dbraw/zinc/39/50/83/139395083.db2.gz TXCSICKPLSSGLF-HNNXBMFYSA-N 1 2 344.371 1.414 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000180837292 533424163 /nfs/dbraw/zinc/42/41/63/533424163.db2.gz CGGQJUFQSCLUGV-JTQLQIEISA-N 1 2 341.389 1.366 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000180837292 533424171 /nfs/dbraw/zinc/42/41/71/533424171.db2.gz CGGQJUFQSCLUGV-JTQLQIEISA-N 1 2 341.389 1.366 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000271027115 140223216 /nfs/dbraw/zinc/22/32/16/140223216.db2.gz KGLJOBLULLGLMQ-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000271027115 140223217 /nfs/dbraw/zinc/22/32/17/140223217.db2.gz KGLJOBLULLGLMQ-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO COc1cc(NC[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271063508 140229466 /nfs/dbraw/zinc/22/94/66/140229466.db2.gz TWLTTWCITPRWNY-NSHDSACASA-N 1 2 325.365 1.745 20 5 EDBDLO Cc1cc(N(C)CC(C)(CO)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000271068705 140230164 /nfs/dbraw/zinc/23/01/64/140230164.db2.gz DDFCYXLVLAVDEJ-UHFFFAOYSA-N 1 2 346.387 1.787 20 5 EDBDLO COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000340225527 142311850 /nfs/dbraw/zinc/31/18/50/142311850.db2.gz KVOKRNHSASUJBO-SECBINFHSA-N 1 2 345.302 1.525 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000340225527 142311852 /nfs/dbraw/zinc/31/18/52/142311852.db2.gz KVOKRNHSASUJBO-SECBINFHSA-N 1 2 345.302 1.525 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000352603572 149083041 /nfs/dbraw/zinc/08/30/41/149083041.db2.gz LLQNNJSRFMOIRU-GFCCVEGCSA-N 1 2 327.406 1.451 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000352603572 149083042 /nfs/dbraw/zinc/08/30/42/149083042.db2.gz LLQNNJSRFMOIRU-GFCCVEGCSA-N 1 2 327.406 1.451 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000354892296 150014787 /nfs/dbraw/zinc/01/47/87/150014787.db2.gz GAPUDJANCGTCCH-JTQLQIEISA-N 1 2 341.389 1.271 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000354892296 150014789 /nfs/dbraw/zinc/01/47/89/150014789.db2.gz GAPUDJANCGTCCH-JTQLQIEISA-N 1 2 341.389 1.271 20 5 EDBDLO COc1cc(C[N@H+](C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352799286 286217694 /nfs/dbraw/zinc/21/76/94/286217694.db2.gz MIGLLIVIMDLMGF-QWRGUYRKSA-N 1 2 348.302 1.396 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000352799286 286217695 /nfs/dbraw/zinc/21/76/95/286217695.db2.gz MIGLLIVIMDLMGF-QWRGUYRKSA-N 1 2 348.302 1.396 20 5 EDBDLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C1 ZINC000370046855 155299896 /nfs/dbraw/zinc/29/98/96/155299896.db2.gz UJAPQLPRFOPVRP-ZDUSSCGKSA-N 1 2 349.435 1.799 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000360557681 152094351 /nfs/dbraw/zinc/09/43/51/152094351.db2.gz WRODNIMROGJXGJ-UHFFFAOYSA-N 1 2 345.359 1.413 20 5 EDBDLO O=C(C[N@@H+]1CCOC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364257674 153188783 /nfs/dbraw/zinc/18/87/83/153188783.db2.gz CDSJJKPXRTVVAO-UHFFFAOYSA-N 1 2 349.387 1.805 20 5 EDBDLO O=C(C[N@H+]1CCOC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364257674 153188785 /nfs/dbraw/zinc/18/87/85/153188785.db2.gz CDSJJKPXRTVVAO-UHFFFAOYSA-N 1 2 349.387 1.805 20 5 EDBDLO CCCc1n[nH]c(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000369493063 155057155 /nfs/dbraw/zinc/05/71/55/155057155.db2.gz JRBKJHDSPYOQHI-JTQLQIEISA-N 1 2 332.364 1.459 20 5 EDBDLO O=C(NC[C@H]1CCn2cc[nH+]c2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000369561383 155087721 /nfs/dbraw/zinc/08/77/21/155087721.db2.gz OAZVXMMERRZSHF-JTQLQIEISA-N 1 2 344.327 1.512 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373916291 157064142 /nfs/dbraw/zinc/06/41/42/157064142.db2.gz DDWNQAKIFFSQPQ-HNNXBMFYSA-N 1 2 340.401 1.215 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373916291 157064143 /nfs/dbraw/zinc/06/41/43/157064143.db2.gz DDWNQAKIFFSQPQ-HNNXBMFYSA-N 1 2 340.401 1.215 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374362954 157260778 /nfs/dbraw/zinc/26/07/78/157260778.db2.gz HDESMKLXHPSHDW-OAHLLOKOSA-N 1 2 330.319 1.916 20 5 EDBDLO Nc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374383994 157269411 /nfs/dbraw/zinc/26/94/11/157269411.db2.gz AIZVBCKXQSEVEN-CQSZACIVSA-N 1 2 327.344 1.359 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374392111 157273156 /nfs/dbraw/zinc/27/31/56/157273156.db2.gz YNFNIXFLWOKWLT-CQSZACIVSA-N 1 2 347.350 1.412 20 5 EDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073900171 287265973 /nfs/dbraw/zinc/26/59/73/287265973.db2.gz UFHGTXOHGIVOHS-MRXNPFEDSA-N 1 2 348.403 1.601 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927411 287325364 /nfs/dbraw/zinc/32/53/64/287325364.db2.gz UXGQWQHQLBAUDL-VXGBXAGGSA-N 1 2 337.376 1.635 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089927411 287325365 /nfs/dbraw/zinc/32/53/65/287325365.db2.gz UXGQWQHQLBAUDL-VXGBXAGGSA-N 1 2 337.376 1.635 20 5 EDBDLO Cc1nn(CCC(=O)Nc2ccc[nH+]c2N(C)C)c(C)c1[N+](=O)[O-] ZINC000171433078 227078317 /nfs/dbraw/zinc/07/83/17/227078317.db2.gz AMDFJTXWNRIHDE-UHFFFAOYSA-N 1 2 332.364 1.898 20 5 EDBDLO CCc1ccc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)cc1[N+](=O)[O-] ZINC000273905596 268092050 /nfs/dbraw/zinc/09/20/50/268092050.db2.gz GAEJOHXIKOKCJS-AWEZNQCLSA-N 1 2 329.360 1.880 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ncc(F)cn3)CC2)c1 ZINC000273574312 273045830 /nfs/dbraw/zinc/04/58/30/273045830.db2.gz CVFFRQNKDYXQHK-HNNXBMFYSA-N 1 2 347.350 1.380 20 5 EDBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000281654887 273507703 /nfs/dbraw/zinc/50/77/03/273507703.db2.gz BOYBEMFPJCJSGI-ZDUSSCGKSA-N 1 2 343.343 1.131 20 5 EDBDLO CCN1CCO[C@H](C[NH+]2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)C1 ZINC000365822151 276211570 /nfs/dbraw/zinc/21/15/70/276211570.db2.gz USDLRIFAPODCNM-INIZCTEOSA-N 1 2 348.447 1.746 20 5 EDBDLO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C3)c21 ZINC000347407690 280373978 /nfs/dbraw/zinc/37/39/78/280373978.db2.gz BGJQQKUSYZLRPT-GFCCVEGCSA-N 1 2 329.360 1.449 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000287510421 288253934 /nfs/dbraw/zinc/25/39/34/288253934.db2.gz UXRJFZQDJIMHSH-WCQYABFASA-N 1 2 337.351 1.669 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000287598304 288274039 /nfs/dbraw/zinc/27/40/39/288274039.db2.gz YGHBTHXAAYSWLG-KBPBESRZSA-N 1 2 348.403 1.328 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000288295065 288452012 /nfs/dbraw/zinc/45/20/12/288452012.db2.gz BLXRQWBAQVBOMH-GFCCVEGCSA-N 1 2 333.396 1.346 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000292167669 289279565 /nfs/dbraw/zinc/27/95/65/289279565.db2.gz FQAJGXXTUYZHRK-JTQLQIEISA-N 1 2 343.330 1.666 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292261419 289300426 /nfs/dbraw/zinc/30/04/26/289300426.db2.gz PNHARWJOHVCCSH-LBPRGKRZSA-N 1 2 328.390 1.470 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292261419 289300427 /nfs/dbraw/zinc/30/04/27/289300427.db2.gz PNHARWJOHVCCSH-LBPRGKRZSA-N 1 2 328.390 1.470 20 5 EDBDLO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272159548 290160470 /nfs/dbraw/zinc/16/04/70/290160470.db2.gz FRBQJRRGOXHRJJ-ABAIWWIYSA-N 1 2 339.417 1.529 20 5 EDBDLO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272159548 290160476 /nfs/dbraw/zinc/16/04/76/290160476.db2.gz FRBQJRRGOXHRJJ-ABAIWWIYSA-N 1 2 339.417 1.529 20 5 EDBDLO COc1cccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000456202057 447322338 /nfs/dbraw/zinc/32/23/38/447322338.db2.gz JLLAGGIVQAOZLV-TXEJJXNPSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1cccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000456202057 447322347 /nfs/dbraw/zinc/32/23/47/447322347.db2.gz JLLAGGIVQAOZLV-TXEJJXNPSA-N 1 2 335.360 1.196 20 5 EDBDLO C[C@H]1C[C@@H](O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293540356 302982240 /nfs/dbraw/zinc/98/22/40/302982240.db2.gz ADZMKYXHSVTBIB-AAEUAGOBSA-N 1 2 330.344 1.766 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293912149 303037501 /nfs/dbraw/zinc/03/75/01/303037501.db2.gz XAUJODIGXWNARS-AOOOYVTPSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293912149 303037503 /nfs/dbraw/zinc/03/75/03/303037503.db2.gz XAUJODIGXWNARS-AOOOYVTPSA-N 1 2 347.824 1.961 20 5 EDBDLO O=c1[nH]nc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000295340113 303206683 /nfs/dbraw/zinc/20/66/83/303206683.db2.gz MYVDUUSDSOWCCF-ZDUSSCGKSA-N 1 2 334.332 1.184 20 5 EDBDLO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000295904737 303281837 /nfs/dbraw/zinc/28/18/37/303281837.db2.gz FIPKOXUZAOKVMR-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO CN(CCCn1cc[nH+]c1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301695383 303690087 /nfs/dbraw/zinc/69/00/87/303690087.db2.gz MOVRBIDPBQXCMN-UHFFFAOYSA-N 1 2 328.332 1.326 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339072971 303802135 /nfs/dbraw/zinc/80/21/35/303802135.db2.gz HSCKHFAFXAANIO-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO O=C(N[C@@H](CO)CC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430535371 305055715 /nfs/dbraw/zinc/05/57/15/305055715.db2.gz VAJHUJICKIGZSW-SNVBAGLBSA-N 1 2 340.286 1.526 20 5 EDBDLO CNc1c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000447662179 305283931 /nfs/dbraw/zinc/28/39/31/305283931.db2.gz YVVXMGXERJEPIG-GFCCVEGCSA-N 1 2 336.392 1.429 20 5 EDBDLO C[C@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000447810112 305285971 /nfs/dbraw/zinc/28/59/71/305285971.db2.gz GKEUKJZRUBWQPW-LBPRGKRZSA-N 1 2 346.391 1.729 20 5 EDBDLO CN(C(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451433043 305345787 /nfs/dbraw/zinc/34/57/87/305345787.db2.gz OXGFKWRPRIKVPU-AWEZNQCLSA-N 1 2 329.303 1.260 20 5 EDBDLO CN(C(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451433043 305345788 /nfs/dbraw/zinc/34/57/88/305345788.db2.gz OXGFKWRPRIKVPU-AWEZNQCLSA-N 1 2 329.303 1.260 20 5 EDBDLO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451458021 305347736 /nfs/dbraw/zinc/34/77/36/305347736.db2.gz MNOFVIDTABYIOM-SKDRFNHKSA-N 1 2 337.332 1.107 20 5 EDBDLO C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451458021 305347737 /nfs/dbraw/zinc/34/77/37/305347737.db2.gz MNOFVIDTABYIOM-SKDRFNHKSA-N 1 2 337.332 1.107 20 5 EDBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451796260 305369584 /nfs/dbraw/zinc/36/95/84/305369584.db2.gz KUAVJBJTVJGGCT-NSHDSACASA-N 1 2 331.323 1.027 20 5 EDBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451796260 305369585 /nfs/dbraw/zinc/36/95/85/305369585.db2.gz KUAVJBJTVJGGCT-NSHDSACASA-N 1 2 331.323 1.027 20 5 EDBDLO CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000448845489 447350715 /nfs/dbraw/zinc/35/07/15/447350715.db2.gz QECQHYNZDYGMFX-INIZCTEOSA-N 1 2 346.343 1.852 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539780430 306036829 /nfs/dbraw/zinc/03/68/29/306036829.db2.gz XBACDMNDGDJURH-GFCCVEGCSA-N 1 2 335.360 1.304 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539780430 306036830 /nfs/dbraw/zinc/03/68/30/306036830.db2.gz XBACDMNDGDJURH-GFCCVEGCSA-N 1 2 335.360 1.304 20 5 EDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548317281 306124239 /nfs/dbraw/zinc/12/42/39/306124239.db2.gz YQGBWVRSESNARO-SECBINFHSA-N 1 2 330.300 1.265 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000058393013 441189597 /nfs/dbraw/zinc/18/95/97/441189597.db2.gz OHMOCPZRHFVRSE-UHFFFAOYSA-N 1 2 341.375 1.298 20 5 EDBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCNC1=O ZINC000105610191 441261792 /nfs/dbraw/zinc/26/17/92/441261792.db2.gz GDEGOYHBTZASCE-AWEZNQCLSA-N 1 2 335.360 1.562 20 5 EDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCNC1=O ZINC000105610191 441261795 /nfs/dbraw/zinc/26/17/95/441261795.db2.gz GDEGOYHBTZASCE-AWEZNQCLSA-N 1 2 335.360 1.562 20 5 EDBDLO COc1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000051534795 441415607 /nfs/dbraw/zinc/41/56/07/441415607.db2.gz OPKBFKKFHJUDNS-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO COc1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000051534795 441415610 /nfs/dbraw/zinc/41/56/10/441415610.db2.gz OPKBFKKFHJUDNS-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO Cc1nn(C)c(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000051827961 441425881 /nfs/dbraw/zinc/42/58/81/441425881.db2.gz FRXWLMBLSHLGNT-UHFFFAOYSA-N 1 2 332.364 1.480 20 5 EDBDLO Cc1cnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000088757792 441519049 /nfs/dbraw/zinc/51/90/49/441519049.db2.gz QAVLCBGHKGTLAJ-CQSZACIVSA-N 1 2 347.419 1.431 20 5 EDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000113001487 441577738 /nfs/dbraw/zinc/57/77/38/441577738.db2.gz MWOKDYKWNLGEEJ-GFCCVEGCSA-N 1 2 330.406 1.729 20 5 EDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000113001487 441577740 /nfs/dbraw/zinc/57/77/40/441577740.db2.gz MWOKDYKWNLGEEJ-GFCCVEGCSA-N 1 2 330.406 1.729 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000113260707 441593809 /nfs/dbraw/zinc/59/38/09/441593809.db2.gz CUMVTKJTNKHWFH-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000113260707 441593813 /nfs/dbraw/zinc/59/38/13/441593813.db2.gz CUMVTKJTNKHWFH-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000041992205 441691378 /nfs/dbraw/zinc/69/13/78/441691378.db2.gz AQBREOPXZDIAGY-LLVKDONJSA-N 1 2 331.332 1.243 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126078121 442075584 /nfs/dbraw/zinc/07/55/84/442075584.db2.gz BEVBRMQBMMGNOI-DGCLKSJQSA-N 1 2 332.364 1.406 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000162316105 442083527 /nfs/dbraw/zinc/08/35/27/442083527.db2.gz OZIGDTMAXBULEF-WCQYABFASA-N 1 2 337.376 1.777 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000162316105 442083529 /nfs/dbraw/zinc/08/35/29/442083529.db2.gz OZIGDTMAXBULEF-WCQYABFASA-N 1 2 337.376 1.777 20 5 EDBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4cnccn4)CC3)nc2c1 ZINC000177003492 442283539 /nfs/dbraw/zinc/28/35/39/442283539.db2.gz YSQHOPDDLUJLFQ-UHFFFAOYSA-N 1 2 340.343 1.848 20 5 EDBDLO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c2ccccc21 ZINC000153997783 442315205 /nfs/dbraw/zinc/31/52/05/442315205.db2.gz VOVAHWLHOWQEPU-ZDUSSCGKSA-N 1 2 332.356 1.820 20 5 EDBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133981118 442443857 /nfs/dbraw/zinc/44/38/57/442443857.db2.gz QBFDNVLTCCCOKP-UHFFFAOYSA-N 1 2 342.783 1.773 20 5 EDBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133981118 442443860 /nfs/dbraw/zinc/44/38/60/442443860.db2.gz QBFDNVLTCCCOKP-UHFFFAOYSA-N 1 2 342.783 1.773 20 5 EDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156195769 442454331 /nfs/dbraw/zinc/45/43/31/442454331.db2.gz XVFOZSYSGSMRMQ-UHFFFAOYSA-N 1 2 338.389 1.643 20 5 EDBDLO Cc1cc(N2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000156619177 442501674 /nfs/dbraw/zinc/50/16/74/442501674.db2.gz 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CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2)s1 ZINC000302806331 444225634 /nfs/dbraw/zinc/22/56/34/444225634.db2.gz FVJLTMSUQWCFSL-UHFFFAOYSA-N 1 2 328.375 1.649 20 5 EDBDLO CC(=O)N1CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000579795775 321970926 /nfs/dbraw/zinc/97/09/26/321970926.db2.gz JKJSBBPJCSCKFI-OAHLLOKOSA-N 1 2 348.403 1.460 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000341002570 444625388 /nfs/dbraw/zinc/62/53/88/444625388.db2.gz VZNXWKUNDCWIGF-QWHCGFSZSA-N 1 2 346.387 1.619 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000341002570 444625393 /nfs/dbraw/zinc/62/53/93/444625393.db2.gz VZNXWKUNDCWIGF-QWHCGFSZSA-N 1 2 346.387 1.619 20 5 EDBDLO NC(=O)c1cccc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000341744180 444981750 /nfs/dbraw/zinc/98/17/50/444981750.db2.gz NWKQBVNYPLJLMR-UHFFFAOYSA-N 1 2 325.328 1.996 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)n1 ZINC000337279988 445013253 /nfs/dbraw/zinc/01/32/53/445013253.db2.gz IKSOPAVKCFGBSI-UHFFFAOYSA-N 1 2 344.375 1.477 20 5 EDBDLO Nc1c(C(=O)NCc2cn3c([nH+]2)CCCC3)cc(F)cc1[N+](=O)[O-] ZINC000339145524 445056425 /nfs/dbraw/zinc/05/64/25/445056425.db2.gz QHCDFFNDJUIGAW-UHFFFAOYSA-N 1 2 333.323 1.779 20 5 EDBDLO COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[NH2+]1 ZINC000337604778 445162860 /nfs/dbraw/zinc/16/28/60/445162860.db2.gz UOQPONXLPYIEMS-CQSZACIVSA-N 1 2 330.344 1.718 20 5 EDBDLO Cc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1C ZINC000345393867 445185004 /nfs/dbraw/zinc/18/50/04/445185004.db2.gz PKWYASLDWIICAI-UHFFFAOYSA-N 1 2 327.304 1.470 20 5 EDBDLO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1C ZINC000355795951 445482577 /nfs/dbraw/zinc/48/25/77/445482577.db2.gz HZRPHLBJKMALSW-UHFFFAOYSA-N 1 2 327.304 1.470 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362631145 445470882 /nfs/dbraw/zinc/47/08/82/445470882.db2.gz UCDBCAQTLIEKHD-UHFFFAOYSA-N 1 2 345.311 1.951 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000355818897 445493436 /nfs/dbraw/zinc/49/34/36/445493436.db2.gz KNTSFSMQZQCRHX-LBPRGKRZSA-N 1 2 335.751 1.758 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000362896630 445601368 /nfs/dbraw/zinc/60/13/68/445601368.db2.gz QTKKCUSYRVKEFQ-AWEZNQCLSA-N 1 2 341.433 1.864 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000362896630 445601369 /nfs/dbraw/zinc/60/13/69/445601369.db2.gz QTKKCUSYRVKEFQ-AWEZNQCLSA-N 1 2 341.433 1.864 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363045916 445660084 /nfs/dbraw/zinc/66/00/84/445660084.db2.gz QGEOYFVZHUFODW-UHFFFAOYSA-N 1 2 332.364 1.051 20 5 EDBDLO CO[C@@]1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000353691603 445709711 /nfs/dbraw/zinc/70/97/11/445709711.db2.gz UCHKDGGTQGMMFD-DOTOQJQBSA-N 1 2 346.387 1.813 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000350347497 445814982 /nfs/dbraw/zinc/81/49/82/445814982.db2.gz DFNFPXLNBWIAPH-JQWIXIFHSA-N 1 2 334.336 1.148 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000350347497 445814988 /nfs/dbraw/zinc/81/49/88/445814988.db2.gz DFNFPXLNBWIAPH-JQWIXIFHSA-N 1 2 334.336 1.148 20 5 EDBDLO CN(C)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000356514599 445834868 /nfs/dbraw/zinc/83/48/68/445834868.db2.gz AQMNEJMRWXFSDW-UHFFFAOYSA-N 1 2 336.373 1.534 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCc2[nH+]ccn2C1 ZINC000361956005 446105461 /nfs/dbraw/zinc/10/54/61/446105461.db2.gz AUCUAYCHBDXSBE-LBPRGKRZSA-N 1 2 329.360 1.582 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000373637293 446287357 /nfs/dbraw/zinc/28/73/57/446287357.db2.gz KMTANWHMRWZRJX-GFCCVEGCSA-N 1 2 340.401 1.337 20 5 EDBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000362258160 446289467 /nfs/dbraw/zinc/28/94/67/446289467.db2.gz ONASNXVOLHKTSY-OCCSQVGLSA-N 1 2 338.360 1.362 20 5 EDBDLO CCOC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000362258160 446289471 /nfs/dbraw/zinc/28/94/71/446289471.db2.gz ONASNXVOLHKTSY-OCCSQVGLSA-N 1 2 338.360 1.362 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000376146940 446354468 /nfs/dbraw/zinc/35/44/68/446354468.db2.gz FUJXFOZVYHFGGZ-LLVKDONJSA-N 1 2 330.348 1.122 20 5 EDBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000411471651 446558143 /nfs/dbraw/zinc/55/81/43/446558143.db2.gz FUCUFRXXPCYGCT-QWRGUYRKSA-N 1 2 345.407 2.148 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000420437019 446612294 /nfs/dbraw/zinc/61/22/94/446612294.db2.gz BVOBXUNJUINPIJ-LLVKDONJSA-N 1 2 349.359 1.259 20 5 EDBDLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375305960 446707526 /nfs/dbraw/zinc/70/75/26/446707526.db2.gz ASKBMAXVUCCUIT-GFCCVEGCSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375305960 446707534 /nfs/dbraw/zinc/70/75/34/446707534.db2.gz ASKBMAXVUCCUIT-GFCCVEGCSA-N 1 2 325.752 1.643 20 5 EDBDLO CN(C[C@@H]1CCC[N@@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628023 446708845 /nfs/dbraw/zinc/70/88/45/446708845.db2.gz AECUPAYDMFWGIB-VIFPVBQESA-N 1 2 333.435 1.590 20 5 EDBDLO CN(C[C@@H]1CCC[N@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628023 446708849 /nfs/dbraw/zinc/70/88/49/446708849.db2.gz AECUPAYDMFWGIB-VIFPVBQESA-N 1 2 333.435 1.590 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375316833 446714104 /nfs/dbraw/zinc/71/41/04/446714104.db2.gz FIFLDOITFRQFGW-RYUDHWBXSA-N 1 2 330.348 1.460 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375316833 446714109 /nfs/dbraw/zinc/71/41/09/446714109.db2.gz FIFLDOITFRQFGW-RYUDHWBXSA-N 1 2 330.348 1.460 20 5 EDBDLO Cc1ccc(NCCCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000368633793 446994862 /nfs/dbraw/zinc/99/48/62/446994862.db2.gz SYALXCFMUGZCTD-GFCCVEGCSA-N 1 2 342.346 1.819 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000372105459 447003593 /nfs/dbraw/zinc/00/35/93/447003593.db2.gz MEBVREURTABXDD-UHFFFAOYSA-N 1 2 344.375 1.574 20 5 EDBDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000375776704 447040583 /nfs/dbraw/zinc/04/05/83/447040583.db2.gz HAGGMMFOXGPBLN-LBPRGKRZSA-N 1 2 347.331 1.293 20 5 EDBDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000375776704 447040589 /nfs/dbraw/zinc/04/05/89/447040589.db2.gz HAGGMMFOXGPBLN-LBPRGKRZSA-N 1 2 347.331 1.293 20 5 EDBDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000372473663 447072204 /nfs/dbraw/zinc/07/22/04/447072204.db2.gz QQPCLXFUZMORGD-LBPRGKRZSA-N 1 2 332.364 1.686 20 5 EDBDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000372473663 447072208 /nfs/dbraw/zinc/07/22/08/447072208.db2.gz QQPCLXFUZMORGD-LBPRGKRZSA-N 1 2 332.364 1.686 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)CCC2 ZINC000372819348 447300337 /nfs/dbraw/zinc/30/03/37/447300337.db2.gz DGSZWHLQNOKPRE-ZDUSSCGKSA-N 1 2 346.391 1.689 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000428896784 447720535 /nfs/dbraw/zinc/72/05/35/447720535.db2.gz VFBQGNYMWQVOAI-JTQLQIEISA-N 1 2 333.352 1.443 20 5 EDBDLO O=c1c2cc([N+](=O)[O-])ccc2ccn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000576107279 447974798 /nfs/dbraw/zinc/97/47/98/447974798.db2.gz HDLKBSJKZOKXJM-GASCZTMLSA-N 1 2 329.356 1.773 20 5 EDBDLO O=c1c2cc([N+](=O)[O-])ccc2ccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000576107279 447974801 /nfs/dbraw/zinc/97/48/01/447974801.db2.gz HDLKBSJKZOKXJM-GASCZTMLSA-N 1 2 329.356 1.773 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000491435325 448027542 /nfs/dbraw/zinc/02/75/42/448027542.db2.gz KCKJJRYUJBDSGK-KTLBGCOUSA-N 1 2 337.351 1.584 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000491435325 448027545 /nfs/dbraw/zinc/02/75/45/448027545.db2.gz KCKJJRYUJBDSGK-KTLBGCOUSA-N 1 2 337.351 1.584 20 5 EDBDLO COc1cc(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000576410557 448048542 /nfs/dbraw/zinc/04/85/42/448048542.db2.gz LQUAYVFXGRQWQQ-UHFFFAOYSA-N 1 2 326.334 1.147 20 5 EDBDLO COc1cc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000576410557 448048549 /nfs/dbraw/zinc/04/85/49/448048549.db2.gz LQUAYVFXGRQWQQ-UHFFFAOYSA-N 1 2 326.334 1.147 20 5 EDBDLO C[C@H](c1nccc(N)n1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000514774919 448199961 /nfs/dbraw/zinc/19/99/61/448199961.db2.gz WSGIOGSJUZZHID-GFCCVEGCSA-N 1 2 328.376 1.850 20 5 EDBDLO CC[C@H]1C[N@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000516983063 448517591 /nfs/dbraw/zinc/51/75/91/448517591.db2.gz OEDRFURNSWXRPU-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO CC[C@H]1C[N@@H+](C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000516983063 448517593 /nfs/dbraw/zinc/51/75/93/448517593.db2.gz OEDRFURNSWXRPU-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567438563 448691664 /nfs/dbraw/zinc/69/16/64/448691664.db2.gz JBXBFGFNOWTXPB-KBPBESRZSA-N 1 2 335.404 1.877 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(F)c1 ZINC000573812167 448720809 /nfs/dbraw/zinc/72/08/09/448720809.db2.gz WNVSHDLIWVTVHL-AWEZNQCLSA-N 1 2 342.396 1.749 20 5 EDBDLO CN(Cc1n[nH]c(=O)o1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588849195 448938377 /nfs/dbraw/zinc/93/83/77/448938377.db2.gz KFZDTXDTZKPIDO-UHFFFAOYSA-N 1 2 344.287 1.141 20 5 EDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597864280 449128486 /nfs/dbraw/zinc/12/84/86/449128486.db2.gz OSPYAGQQYVUVOP-UHFFFAOYSA-N 1 2 336.373 1.675 20 5 EDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597864280 449128491 /nfs/dbraw/zinc/12/84/91/449128491.db2.gz OSPYAGQQYVUVOP-UHFFFAOYSA-N 1 2 336.373 1.675 20 5 EDBDLO C[C@@]12COC[C@H]1C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000595760031 449153232 /nfs/dbraw/zinc/15/32/32/449153232.db2.gz RUKAQFBABBHIRT-IUODEOHRSA-N 1 2 340.401 1.337 20 5 EDBDLO C[C@@]12COC[C@H]1C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000595760031 449153237 /nfs/dbraw/zinc/15/32/37/449153237.db2.gz RUKAQFBABBHIRT-IUODEOHRSA-N 1 2 340.401 1.337 20 5 EDBDLO COc1cccc(C(=O)NC2CC([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000600067678 449168803 /nfs/dbraw/zinc/16/88/03/449168803.db2.gz WHRGFKMUHWKPJZ-UHFFFAOYSA-N 1 2 335.360 1.196 20 5 EDBDLO CC(C)(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1c[nH+]c[nH]1 ZINC000590448931 449170038 /nfs/dbraw/zinc/17/00/38/449170038.db2.gz LTAXAVYMIHIXSJ-UHFFFAOYSA-N 1 2 330.344 1.885 20 5 EDBDLO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000590388861 449143825 /nfs/dbraw/zinc/14/38/25/449143825.db2.gz OTOOOFXUKQBPJW-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000590388861 449143830 /nfs/dbraw/zinc/14/38/30/449143830.db2.gz OTOOOFXUKQBPJW-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000479 449187167 /nfs/dbraw/zinc/18/71/67/449187167.db2.gz VDBQDJQCVYFKRX-STQMWFEESA-N 1 2 336.392 1.232 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000479 449187172 /nfs/dbraw/zinc/18/71/72/449187172.db2.gz VDBQDJQCVYFKRX-STQMWFEESA-N 1 2 336.392 1.232 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593407590 449267982 /nfs/dbraw/zinc/26/79/82/449267982.db2.gz OYQGQFBFLLIKHN-LLVKDONJSA-N 1 2 325.340 1.113 20 5 EDBDLO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000593456834 449293491 /nfs/dbraw/zinc/29/34/91/449293491.db2.gz VLVPJWOCUKLGPU-RYUDHWBXSA-N 1 2 339.367 1.502 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596428030 449498348 /nfs/dbraw/zinc/49/83/48/449498348.db2.gz GRQMKLLWKPTTQD-GHMZBOCLSA-N 1 2 338.364 1.298 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596428030 449498353 /nfs/dbraw/zinc/49/83/53/449498353.db2.gz GRQMKLLWKPTTQD-GHMZBOCLSA-N 1 2 338.364 1.298 20 5 EDBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598748669 449579605 /nfs/dbraw/zinc/57/96/05/449579605.db2.gz NEQSAWOCZLFXJW-UHFFFAOYSA-N 1 2 343.343 1.621 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598945770 449664237 /nfs/dbraw/zinc/66/42/37/449664237.db2.gz CAPAGRGNESZXPN-NSHDSACASA-N 1 2 330.344 1.935 20 5 EDBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598978542 449678495 /nfs/dbraw/zinc/67/84/95/449678495.db2.gz GQODZIZFYYJILQ-CYBMUJFWSA-N 1 2 343.387 1.890 20 5 EDBDLO O=[N+]([O-])c1cc(F)cnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000601114265 449697056 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450018501 /nfs/dbraw/zinc/01/85/01/450018501.db2.gz AREPKYSITWOMJJ-UHFFFAOYSA-N 1 2 343.339 1.831 20 5 EDBDLO Cc1ccnc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1[N+](=O)[O-] ZINC000609670085 450080974 /nfs/dbraw/zinc/08/09/74/450080974.db2.gz CWFOZMMLLMIFTH-UHFFFAOYSA-N 1 2 347.419 1.654 20 5 EDBDLO COc1cc(Cn2cc(CC[NH+]3CCOCC3)nn2)ccc1[N+](=O)[O-] ZINC000603244891 450173646 /nfs/dbraw/zinc/17/36/46/450173646.db2.gz WLMMLRFHNUQBNX-UHFFFAOYSA-N 1 2 347.375 1.118 20 5 EDBDLO COc1cc(Cn2cc(C[NH+]3CCSCC3)nn2)ccc1[N+](=O)[O-] ZINC000603244272 450173820 /nfs/dbraw/zinc/17/38/20/450173820.db2.gz RCMFGDDPDPHRDW-UHFFFAOYSA-N 1 2 349.416 1.792 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000601737906 450202816 /nfs/dbraw/zinc/20/28/16/450202816.db2.gz VRAFJUIMVSXDLD-LBPRGKRZSA-N 1 2 341.795 1.959 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601737906 450202822 /nfs/dbraw/zinc/20/28/22/450202822.db2.gz VRAFJUIMVSXDLD-LBPRGKRZSA-N 1 2 341.795 1.959 20 5 EDBDLO O=C(NC[C@H]1CCCNC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619868018 450346841 /nfs/dbraw/zinc/34/68/41/450346841.db2.gz RVKDROCSHQZTKK-GFCCVEGCSA-N 1 2 343.343 1.037 20 5 EDBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610913115 450379148 /nfs/dbraw/zinc/37/91/48/450379148.db2.gz UEIDUHZMBHEWKC-AWEZNQCLSA-N 1 2 345.355 1.888 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181546754 534320181 /nfs/dbraw/zinc/32/01/81/534320181.db2.gz ZCVQJTPFJBMAGB-QGZVFWFLSA-N 1 2 343.383 1.700 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181546754 534320185 /nfs/dbraw/zinc/32/01/85/534320185.db2.gz ZCVQJTPFJBMAGB-QGZVFWFLSA-N 1 2 343.383 1.700 20 5 EDBDLO CCC(CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000159582482 528821073 /nfs/dbraw/zinc/82/10/73/528821073.db2.gz GRLBRPYVZRFDII-GFCCVEGCSA-N 1 2 339.396 1.185 20 5 EDBDLO CCOC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181944198 529029131 /nfs/dbraw/zinc/02/91/31/529029131.db2.gz JMFFIFAHOVMJKR-ZDUSSCGKSA-N 1 2 342.417 1.727 20 5 EDBDLO CCOC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181944198 529029135 /nfs/dbraw/zinc/02/91/35/529029135.db2.gz JMFFIFAHOVMJKR-ZDUSSCGKSA-N 1 2 342.417 1.727 20 5 EDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347369064 535332531 /nfs/dbraw/zinc/33/25/31/535332531.db2.gz HFYYYPZVZOTNQU-UHFFFAOYSA-N 1 2 339.367 1.917 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000728229839 578545042 /nfs/dbraw/zinc/54/50/42/578545042.db2.gz SPCKRIPGSVJNOH-UHFFFAOYSA-N 1 2 338.433 1.992 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000728229839 578545043 /nfs/dbraw/zinc/54/50/43/578545043.db2.gz SPCKRIPGSVJNOH-UHFFFAOYSA-N 1 2 338.433 1.992 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000728337523 578546362 /nfs/dbraw/zinc/54/63/62/578546362.db2.gz ZBTFQJWHADDPQD-UHFFFAOYSA-N 1 2 329.316 1.799 20 5 EDBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000788048251 578726810 /nfs/dbraw/zinc/72/68/10/578726810.db2.gz XXCIVNKXYWXSTD-UHFFFAOYSA-N 1 2 342.315 1.309 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(CN3CCn4cc[nH+]c4C3)n2)cc1 ZINC000738128132 579162480 /nfs/dbraw/zinc/16/24/80/579162480.db2.gz GTRWEYVYQVFEJY-UHFFFAOYSA-N 1 2 325.332 1.523 20 5 EDBDLO CCOC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000744338552 579507515 /nfs/dbraw/zinc/50/75/15/579507515.db2.gz ZTTRMFITRCZLBX-JTQLQIEISA-N 1 2 333.300 1.889 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000750050850 579750033 /nfs/dbraw/zinc/75/00/33/579750033.db2.gz DBHLFUJDJQULKH-INIZCTEOSA-N 1 2 348.428 1.903 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000778037487 580455314 /nfs/dbraw/zinc/45/53/14/580455314.db2.gz CIYMYBNGUJLYNV-WDEREUQCSA-N 1 2 345.396 1.755 20 5 EDBDLO 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580269171 /nfs/dbraw/zinc/26/91/71/580269171.db2.gz ABICXEOMRRZWKU-ZJUUUORDSA-N 1 2 331.369 1.447 20 5 EDBDLO Cn1ccnc1CN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276602 580413686 /nfs/dbraw/zinc/41/36/86/580413686.db2.gz KDCFBGDPWYAITI-INIZCTEOSA-N 1 2 345.403 1.180 20 5 EDBDLO CN(Cc1ccccc1[N+](=O)[O-])CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783971614 580609602 /nfs/dbraw/zinc/60/96/02/580609602.db2.gz JWKJIHZTDGFCCX-AWEZNQCLSA-N 1 2 343.387 1.734 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000783979568 580609922 /nfs/dbraw/zinc/60/99/22/580609922.db2.gz WPULUQYYKUDBCJ-ZDUSSCGKSA-N 1 2 341.371 1.664 20 5 EDBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000785675801 580649879 /nfs/dbraw/zinc/64/98/79/580649879.db2.gz MPGVAADAKJWWOA-GFCCVEGCSA-N 1 2 345.311 1.543 20 5 EDBDLO CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1c[nH+]c[nH]1 ZINC000788260663 580715302 /nfs/dbraw/zinc/71/53/02/580715302.db2.gz 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154195204 /nfs/dbraw/zinc/19/52/04/154195204.db2.gz ZLGVTLMVNDGQIK-UHFFFAOYSA-N 1 2 343.339 1.794 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC000367603378 154195208 /nfs/dbraw/zinc/19/52/08/154195208.db2.gz ZLGVTLMVNDGQIK-UHFFFAOYSA-N 1 2 343.339 1.794 20 5 EDBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000369515806 155066256 /nfs/dbraw/zinc/06/62/56/155066256.db2.gz BCOSXISFMZGDPW-JTQLQIEISA-N 1 2 331.332 1.227 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374377624 157266213 /nfs/dbraw/zinc/26/62/13/157266213.db2.gz LXEIRPBGWCHJQF-AWEZNQCLSA-N 1 2 333.323 1.104 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000352281482 162091885 /nfs/dbraw/zinc/09/18/85/162091885.db2.gz MPNFXFHQKDQTCI-CYBMUJFWSA-N 1 2 336.373 1.758 20 5 EDBDLO CN(Cc1[nH+]ccn1C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000153336338 287625048 /nfs/dbraw/zinc/62/50/48/287625048.db2.gz WYIWXHHGFLAGSE-AWEZNQCLSA-N 1 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COc1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280176345 273348450 /nfs/dbraw/zinc/34/84/50/273348450.db2.gz HPAVHKJZBZBXDG-UHFFFAOYSA-N 1 2 341.389 1.144 20 5 EDBDLO COc1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280176345 273348451 /nfs/dbraw/zinc/34/84/51/273348451.db2.gz HPAVHKJZBZBXDG-UHFFFAOYSA-N 1 2 341.389 1.144 20 5 EDBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280539710 273368925 /nfs/dbraw/zinc/36/89/25/273368925.db2.gz PPYUQELWMUNNSX-MEDUHNTESA-N 1 2 335.360 1.074 20 5 EDBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280539710 273368926 /nfs/dbraw/zinc/36/89/26/273368926.db2.gz PPYUQELWMUNNSX-MEDUHNTESA-N 1 2 335.360 1.074 20 5 EDBDLO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280680464 273384965 /nfs/dbraw/zinc/38/49/65/273384965.db2.gz CJZHKPGZABJBFT-TXEJJXNPSA-N 1 2 337.376 1.530 20 5 EDBDLO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280680464 273384966 /nfs/dbraw/zinc/38/49/66/273384966.db2.gz CJZHKPGZABJBFT-TXEJJXNPSA-N 1 2 337.376 1.530 20 5 EDBDLO C[C@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000280737590 273392324 /nfs/dbraw/zinc/39/23/24/273392324.db2.gz JFBOYYLASSQDFH-XHDPSFHLSA-N 1 2 331.376 1.808 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000283446936 273860495 /nfs/dbraw/zinc/86/04/95/273860495.db2.gz KMIDDHLQXUKZRR-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284433708 274200515 /nfs/dbraw/zinc/20/05/15/274200515.db2.gz YTDYWPIPSKJWRP-NSHDSACASA-N 1 2 334.332 1.530 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284433708 274200516 /nfs/dbraw/zinc/20/05/16/274200516.db2.gz YTDYWPIPSKJWRP-NSHDSACASA-N 1 2 334.332 1.530 20 5 EDBDLO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291341013 289041294 /nfs/dbraw/zinc/04/12/94/289041294.db2.gz WTFBBHAAKCPIJR-GFCCVEGCSA-N 1 2 330.406 1.725 20 5 EDBDLO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291341013 289041296 /nfs/dbraw/zinc/04/12/96/289041296.db2.gz WTFBBHAAKCPIJR-GFCCVEGCSA-N 1 2 330.406 1.725 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292132546 289269388 /nfs/dbraw/zinc/26/93/88/289269388.db2.gz HJTPDNWOBUNDAX-NSHDSACASA-N 1 2 328.390 1.470 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292132546 289269389 /nfs/dbraw/zinc/26/93/89/289269389.db2.gz HJTPDNWOBUNDAX-NSHDSACASA-N 1 2 328.390 1.470 20 5 EDBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348300620 300214094 /nfs/dbraw/zinc/21/40/94/300214094.db2.gz HJPOEFZPHQZMIC-VIFPVBQESA-N 1 2 333.797 1.573 20 5 EDBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348300620 300214097 /nfs/dbraw/zinc/21/40/97/300214097.db2.gz HJPOEFZPHQZMIC-VIFPVBQESA-N 1 2 333.797 1.573 20 5 EDBDLO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC(=O)N1C ZINC000339188498 303094741 /nfs/dbraw/zinc/09/47/41/303094741.db2.gz DSVIPVPRRUSRNA-BLLLJJGKSA-N 1 2 345.359 1.096 20 5 EDBDLO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000295904740 303281925 /nfs/dbraw/zinc/28/19/25/303281925.db2.gz FIPKOXUZAOKVMR-LBPRGKRZSA-N 1 2 341.433 1.919 20 5 EDBDLO CNS(=O)(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298375282 303519144 /nfs/dbraw/zinc/51/91/44/303519144.db2.gz AURWTDOWFYICGL-JTQLQIEISA-N 1 2 339.377 1.200 20 5 EDBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000435987218 305150569 /nfs/dbraw/zinc/15/05/69/305150569.db2.gz CAMHBWDCGYCFIT-NSHDSACASA-N 1 2 332.364 1.912 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000447811585 305285985 /nfs/dbraw/zinc/28/59/85/305285985.db2.gz OBGJNVNZIRAODQ-HDMKZQKVSA-N 1 2 347.415 1.634 20 5 EDBDLO CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450167149 305326568 /nfs/dbraw/zinc/32/65/68/305326568.db2.gz BPOORLBQYNBCOM-ABAIWWIYSA-N 1 2 332.360 1.917 20 5 EDBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000451319147 305338532 /nfs/dbraw/zinc/33/85/32/305338532.db2.gz MWAWQHLYIDVXLY-AWEZNQCLSA-N 1 2 330.344 1.623 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000515469532 305722698 /nfs/dbraw/zinc/72/26/98/305722698.db2.gz QZFUZSYBSQHMBC-UHFFFAOYSA-N 1 2 347.419 1.445 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538275545 306030407 /nfs/dbraw/zinc/03/04/07/306030407.db2.gz IKNVUEUMTNSHKS-UHFFFAOYSA-N 1 2 338.389 1.858 20 5 EDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547953689 306115669 /nfs/dbraw/zinc/11/56/69/306115669.db2.gz WSUKJHNQGVHJBI-ZDUSSCGKSA-N 1 2 341.371 1.874 20 5 EDBDLO COCCOC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000080377481 441165713 /nfs/dbraw/zinc/16/57/13/441165713.db2.gz FBHOKXUORJJAAW-UHFFFAOYSA-N 1 2 346.343 1.268 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000072261740 441210613 /nfs/dbraw/zinc/21/06/13/441210613.db2.gz HLVPVOLLEWPYRV-UHFFFAOYSA-N 1 2 339.417 1.907 20 5 EDBDLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026595007 441380843 /nfs/dbraw/zinc/38/08/43/441380843.db2.gz FGQWXFKWPQQRPT-INIZCTEOSA-N 1 2 341.371 1.338 20 5 EDBDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596239 441380979 /nfs/dbraw/zinc/38/09/79/441380979.db2.gz WWWLRIRDLAFQJF-OLZOCXBDSA-N 1 2 335.408 1.415 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049603049 441359296 /nfs/dbraw/zinc/35/92/96/441359296.db2.gz FDQMDFOZMOEPEA-UHFFFAOYSA-N 1 2 340.343 1.786 20 5 EDBDLO COC(=O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109130130 441489149 /nfs/dbraw/zinc/48/91/49/441489149.db2.gz USRADAFNNAUGTG-OAHLLOKOSA-N 1 2 347.371 1.585 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000075682610 441548271 /nfs/dbraw/zinc/54/82/71/441548271.db2.gz JUXMSYRFCQEMPW-NEPJUHHUSA-N 1 2 327.406 1.669 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000075682610 441548275 /nfs/dbraw/zinc/54/82/75/441548275.db2.gz JUXMSYRFCQEMPW-NEPJUHHUSA-N 1 2 327.406 1.669 20 5 EDBDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000066835070 441574222 /nfs/dbraw/zinc/57/42/22/441574222.db2.gz CIYOCLBFXZBHBE-LBPRGKRZSA-N 1 2 335.360 1.727 20 5 EDBDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000066835070 441574228 /nfs/dbraw/zinc/57/42/28/441574228.db2.gz CIYOCLBFXZBHBE-LBPRGKRZSA-N 1 2 335.360 1.727 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033236757 441593217 /nfs/dbraw/zinc/59/32/17/441593217.db2.gz HRRAEMKFRIBXOJ-UHFFFAOYSA-N 1 2 326.356 1.948 20 5 EDBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NC1CCOCC1 ZINC000076292503 441623451 /nfs/dbraw/zinc/62/34/51/441623451.db2.gz IENAEVRINKKVQI-UHFFFAOYSA-N 1 2 348.403 1.012 20 5 EDBDLO Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000092071411 441769472 /nfs/dbraw/zinc/76/94/72/441769472.db2.gz MVUGWHISGQWAML-CQSZACIVSA-N 1 2 339.417 1.559 20 5 EDBDLO Cc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000092071411 441769475 /nfs/dbraw/zinc/76/94/75/441769475.db2.gz MVUGWHISGQWAML-CQSZACIVSA-N 1 2 339.417 1.559 20 5 EDBDLO CCC(=O)N1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000077389011 441770006 /nfs/dbraw/zinc/77/00/06/441770006.db2.gz RDJQNXTXJZHNTG-UHFFFAOYSA-N 1 2 334.376 1.138 20 5 EDBDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000077389011 441770009 /nfs/dbraw/zinc/77/00/09/441770009.db2.gz RDJQNXTXJZHNTG-UHFFFAOYSA-N 1 2 334.376 1.138 20 5 EDBDLO COc1ccccc1[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+](C)C ZINC000158936984 441773985 /nfs/dbraw/zinc/77/39/85/441773985.db2.gz CUXBTBOHLSAHNK-NSHDSACASA-N 1 2 333.348 1.359 20 5 EDBDLO COC(=O)c1cc(C(=O)N2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000124940355 441968620 /nfs/dbraw/zinc/96/86/20/441968620.db2.gz HPXVIEXFCITMNJ-UHFFFAOYSA-N 1 2 333.344 1.302 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000160896904 441933440 /nfs/dbraw/zinc/93/34/40/441933440.db2.gz XKMVMQDJMUXTDZ-AWEZNQCLSA-N 1 2 329.360 1.457 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000160896904 441933443 /nfs/dbraw/zinc/93/34/43/441933443.db2.gz XKMVMQDJMUXTDZ-AWEZNQCLSA-N 1 2 329.360 1.457 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450288044 447443874 /nfs/dbraw/zinc/44/38/74/447443874.db2.gz LFDLOGJYNKDVCS-ZDUSSCGKSA-N 1 2 334.401 2.461 20 5 EDBDLO C[N@H+]1CCO[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450288044 447443880 /nfs/dbraw/zinc/44/38/80/447443880.db2.gz LFDLOGJYNKDVCS-ZDUSSCGKSA-N 1 2 334.401 2.461 20 5 EDBDLO C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000126413008 442109273 /nfs/dbraw/zinc/10/92/73/442109273.db2.gz FHUMSAMCAMBZSX-OCCSQVGLSA-N 1 2 346.391 1.833 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000157589567 442595505 /nfs/dbraw/zinc/59/55/05/442595505.db2.gz YCSBCZJCPNBCPO-HZMBPMFUSA-N 1 2 339.417 1.766 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000157589567 442595510 /nfs/dbraw/zinc/59/55/10/442595510.db2.gz YCSBCZJCPNBCPO-HZMBPMFUSA-N 1 2 339.417 1.766 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000182170923 442742373 /nfs/dbraw/zinc/74/23/73/442742373.db2.gz KFCXTKUEOPBMQT-GFCCVEGCSA-N 1 2 328.390 1.073 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000182170923 442742374 /nfs/dbraw/zinc/74/23/74/442742374.db2.gz KFCXTKUEOPBMQT-GFCCVEGCSA-N 1 2 328.390 1.073 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2N1 ZINC000246690074 442803049 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NRFJFOSMTQIEGP-UHFFFAOYSA-N 1 2 339.359 1.896 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCSCC2)cc1 ZINC000273116632 443541340 /nfs/dbraw/zinc/54/13/40/443541340.db2.gz GXRGBFRWEKFRLB-UHFFFAOYSA-N 1 2 330.431 1.807 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCSCC2)cc1 ZINC000273116632 443541344 /nfs/dbraw/zinc/54/13/44/443541344.db2.gz GXRGBFRWEKFRLB-UHFFFAOYSA-N 1 2 330.431 1.807 20 5 EDBDLO CCCNC(=O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447799215 320145013 /nfs/dbraw/zinc/14/50/13/320145013.db2.gz GLXZUTLYQNGKJP-UHFFFAOYSA-N 1 2 336.392 1.365 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000492358789 320377552 /nfs/dbraw/zinc/37/75/52/320377552.db2.gz UDFWWDYKYNKSHU-LLVKDONJSA-N 1 2 336.373 1.393 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280222460 443677458 /nfs/dbraw/zinc/67/74/58/443677458.db2.gz ARAZEBPUZUOMDS-PBFPGSCMSA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280222460 443677460 /nfs/dbraw/zinc/67/74/60/443677460.db2.gz ARAZEBPUZUOMDS-PBFPGSCMSA-N 1 2 349.387 1.802 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298169839 443710038 /nfs/dbraw/zinc/71/00/38/443710038.db2.gz QIIWWVFYFBYOJM-UHFFFAOYSA-N 1 2 346.387 1.457 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000276673307 443787232 /nfs/dbraw/zinc/78/72/32/443787232.db2.gz NILHFSLHTACQAN-JTQLQIEISA-N 1 2 335.389 1.519 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000291212050 443753262 /nfs/dbraw/zinc/75/32/62/443753262.db2.gz MDCVDUUYYOWHBW-UHFFFAOYSA-N 1 2 345.359 1.095 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284984522 443808607 /nfs/dbraw/zinc/80/86/07/443808607.db2.gz SNSULLIANCCTHU-INIZCTEOSA-N 1 2 347.375 1.594 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284984522 443808608 /nfs/dbraw/zinc/80/86/08/443808608.db2.gz SNSULLIANCCTHU-INIZCTEOSA-N 1 2 347.375 1.594 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284984522 443808610 /nfs/dbraw/zinc/80/86/10/443808610.db2.gz SNSULLIANCCTHU-INIZCTEOSA-N 1 2 347.375 1.594 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1 ZINC000284984522 443808612 /nfs/dbraw/zinc/80/86/12/443808612.db2.gz SNSULLIANCCTHU-INIZCTEOSA-N 1 2 347.375 1.594 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000281972006 444052182 /nfs/dbraw/zinc/05/21/82/444052182.db2.gz BOADINXOUUPACU-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000281972006 444052187 /nfs/dbraw/zinc/05/21/87/444052187.db2.gz BOADINXOUUPACU-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285764444 444100507 /nfs/dbraw/zinc/10/05/07/444100507.db2.gz RRRDHWOUHAAYJB-DOMZBBRYSA-N 1 2 334.376 1.922 20 5 EDBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000301428647 444171179 /nfs/dbraw/zinc/17/11/79/444171179.db2.gz DYBUACNNAUCJDP-UHFFFAOYSA-N 1 2 349.366 1.798 20 5 EDBDLO COc1cc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000301342075 444165293 /nfs/dbraw/zinc/16/52/93/444165293.db2.gz GLANHKAWGVMWHS-GFCCVEGCSA-N 1 2 348.403 1.393 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981753 444168224 /nfs/dbraw/zinc/16/82/24/444168224.db2.gz OAYSHZQFYYDIPL-KGLIPLIRSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981753 444168228 /nfs/dbraw/zinc/16/82/28/444168228.db2.gz OAYSHZQFYYDIPL-KGLIPLIRSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285981753 444168230 /nfs/dbraw/zinc/16/82/30/444168230.db2.gz OAYSHZQFYYDIPL-KGLIPLIRSA-N 1 2 348.403 1.328 20 5 EDBDLO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000302210150 444208974 /nfs/dbraw/zinc/20/89/74/444208974.db2.gz CJDPZDSOCCYNPO-PHIMTYICSA-N 1 2 327.406 1.527 20 5 EDBDLO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000302210150 444208977 /nfs/dbraw/zinc/20/89/77/444208977.db2.gz CJDPZDSOCCYNPO-PHIMTYICSA-N 1 2 327.406 1.527 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305192369 444263817 /nfs/dbraw/zinc/26/38/17/444263817.db2.gz RWJYFFYMOXSCSQ-DLBZAZTESA-N 1 2 341.367 1.540 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305192369 444263819 /nfs/dbraw/zinc/26/38/19/444263819.db2.gz RWJYFFYMOXSCSQ-DLBZAZTESA-N 1 2 341.367 1.540 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305765128 444278759 /nfs/dbraw/zinc/27/87/59/444278759.db2.gz GTYRVNSDSHEICT-GZMMTYOYSA-N 1 2 335.282 1.777 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305765128 444278761 /nfs/dbraw/zinc/27/87/61/444278761.db2.gz GTYRVNSDSHEICT-GZMMTYOYSA-N 1 2 335.282 1.777 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000327533412 444383357 /nfs/dbraw/zinc/38/33/57/444383357.db2.gz OYPSTIPUSMCDQP-YBJDMEARSA-N 1 2 344.327 1.232 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000327533412 444383362 /nfs/dbraw/zinc/38/33/62/444383362.db2.gz OYPSTIPUSMCDQP-YBJDMEARSA-N 1 2 344.327 1.232 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341127274 444687622 /nfs/dbraw/zinc/68/76/22/444687622.db2.gz OIULIUHDCROXIN-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341127274 444687626 /nfs/dbraw/zinc/68/76/26/444687626.db2.gz OIULIUHDCROXIN-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CCC2 ZINC000611041952 450417407 /nfs/dbraw/zinc/41/74/07/450417407.db2.gz UWESEFWTMPZWSM-GFCCVEGCSA-N 1 2 346.391 1.725 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000341702902 444958505 /nfs/dbraw/zinc/95/85/05/444958505.db2.gz BYKZHHXSBYRCRA-HNNXBMFYSA-N 1 2 330.344 1.975 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000341709332 444962438 /nfs/dbraw/zinc/96/24/38/444962438.db2.gz FQIPPWKLWXZQBA-LSDHHAIUSA-N 1 2 337.351 1.208 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000341709332 444962440 /nfs/dbraw/zinc/96/24/40/444962440.db2.gz FQIPPWKLWXZQBA-LSDHHAIUSA-N 1 2 337.351 1.208 20 5 EDBDLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000344441008 444973650 /nfs/dbraw/zinc/97/36/50/444973650.db2.gz PMTLACSAQFCHMP-MRXNPFEDSA-N 1 2 349.435 1.221 20 5 EDBDLO CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000330784950 445139731 /nfs/dbraw/zinc/13/97/31/445139731.db2.gz SMZRUVODUGHSGA-BLLLJJGKSA-N 1 2 349.387 1.483 20 5 EDBDLO C[C@@H]1[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343448861 445225307 /nfs/dbraw/zinc/22/53/07/445225307.db2.gz CHEQXAOHNDGYHM-MNOVXSKESA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@@H]1[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343448861 445225309 /nfs/dbraw/zinc/22/53/09/445225309.db2.gz CHEQXAOHNDGYHM-MNOVXSKESA-N 1 2 327.406 1.893 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000351904851 445366018 /nfs/dbraw/zinc/36/60/18/445366018.db2.gz QGWCUTKYQXCYST-NWDGAFQWSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000351904851 445366022 /nfs/dbraw/zinc/36/60/22/445366022.db2.gz QGWCUTKYQXCYST-NWDGAFQWSA-N 1 2 341.433 1.925 20 5 EDBDLO CCOc1ncnc2c1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000363148739 445697318 /nfs/dbraw/zinc/69/73/18/445697318.db2.gz PQMSOBUHLMTEDE-UHFFFAOYSA-N 1 2 345.359 1.004 20 5 EDBDLO CCOc1ncnc2c1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000363148739 445697321 /nfs/dbraw/zinc/69/73/21/445697321.db2.gz PQMSOBUHLMTEDE-UHFFFAOYSA-N 1 2 345.359 1.004 20 5 EDBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000361510894 445795803 /nfs/dbraw/zinc/79/58/03/445795803.db2.gz MHUUWOJCDBZULZ-UHFFFAOYSA-N 1 2 333.344 1.590 20 5 EDBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000361510894 445795804 /nfs/dbraw/zinc/79/58/04/445795804.db2.gz MHUUWOJCDBZULZ-UHFFFAOYSA-N 1 2 333.344 1.590 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000350336570 445813350 /nfs/dbraw/zinc/81/33/50/445813350.db2.gz GOOQJHBBMJJTAG-ONGXEEELSA-N 1 2 334.336 1.304 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000350336570 445813352 /nfs/dbraw/zinc/81/33/52/445813352.db2.gz GOOQJHBBMJJTAG-ONGXEEELSA-N 1 2 334.336 1.304 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000350335281 445813685 /nfs/dbraw/zinc/81/36/85/445813685.db2.gz QIQONWBREGUDLB-ONGXEEELSA-N 1 2 334.336 1.304 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000350335281 445813687 /nfs/dbraw/zinc/81/36/87/445813687.db2.gz QIQONWBREGUDLB-ONGXEEELSA-N 1 2 334.336 1.304 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000350867440 445932507 /nfs/dbraw/zinc/93/25/07/445932507.db2.gz GXHVETYJLXMJFI-WDEREUQCSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000350867440 445932512 /nfs/dbraw/zinc/93/25/12/445932512.db2.gz GXHVETYJLXMJFI-WDEREUQCSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(S(=O)(=O)NCCc2c[nH+]cn2C)c(C)cc1[N+](=O)[O-] ZINC000584278990 326233468 /nfs/dbraw/zinc/23/34/68/326233468.db2.gz ATHUGOZCHGLISE-UHFFFAOYSA-N 1 2 338.389 1.466 20 5 EDBDLO C[C@H]1CCOCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000373281392 446140284 /nfs/dbraw/zinc/14/02/84/446140284.db2.gz RDNZRPLYGYBRQU-LBPRGKRZSA-N 1 2 328.390 1.479 20 5 EDBDLO C[C@H]1CCOCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000373281392 446140287 /nfs/dbraw/zinc/14/02/87/446140287.db2.gz RDNZRPLYGYBRQU-LBPRGKRZSA-N 1 2 328.390 1.479 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366518232 446246885 /nfs/dbraw/zinc/24/68/85/446246885.db2.gz HYNBORHDWRNWLG-NSHDSACASA-N 1 2 328.390 1.470 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366518232 446246889 /nfs/dbraw/zinc/24/68/89/446246889.db2.gz HYNBORHDWRNWLG-NSHDSACASA-N 1 2 328.390 1.470 20 5 EDBDLO C[C@H](O)c1cn(C2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000374817809 446404738 /nfs/dbraw/zinc/40/47/38/446404738.db2.gz JKBFFDJDNGSDNM-FUEXJSSKSA-N 1 2 329.360 1.810 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000371020112 446579907 /nfs/dbraw/zinc/57/99/07/446579907.db2.gz SWFHPWITPATTOY-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F ZINC000375401679 446774050 /nfs/dbraw/zinc/77/40/50/446774050.db2.gz PPOYPIOMDZWHCT-NXEZZACHSA-N 1 2 335.257 1.830 20 5 EDBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F ZINC000375401679 446774067 /nfs/dbraw/zinc/77/40/67/446774067.db2.gz PPOYPIOMDZWHCT-NXEZZACHSA-N 1 2 335.257 1.830 20 5 EDBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428894 446857232 /nfs/dbraw/zinc/85/72/32/446857232.db2.gz JNWSROGMAGZKLY-GDBMZVCRSA-N 1 2 346.387 1.905 20 5 EDBDLO Cn1ccnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428894 446857237 /nfs/dbraw/zinc/85/72/37/446857237.db2.gz JNWSROGMAGZKLY-GDBMZVCRSA-N 1 2 346.387 1.905 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444947399 447148091 /nfs/dbraw/zinc/14/80/91/447148091.db2.gz DCKQCALGSRVPOM-UHFFFAOYSA-N 1 2 326.316 1.918 20 5 EDBDLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000416360268 447581010 /nfs/dbraw/zinc/58/10/10/447581010.db2.gz KLUZLXYPAIMHCK-UHFFFAOYSA-N 1 2 338.389 1.777 20 5 EDBDLO CNC(=O)C[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450845828 447594348 /nfs/dbraw/zinc/59/43/48/447594348.db2.gz NXDBZZYWJJZRPM-NSHDSACASA-N 1 2 329.360 1.719 20 5 EDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408084837 447626984 /nfs/dbraw/zinc/62/69/84/447626984.db2.gz UIIWHOFIOMTLRT-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000408084837 447626991 /nfs/dbraw/zinc/62/69/91/447626991.db2.gz UIIWHOFIOMTLRT-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408084335 447627011 /nfs/dbraw/zinc/62/70/11/447627011.db2.gz OPUSRHLOHAXAFH-NEPJUHHUSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408084335 447627017 /nfs/dbraw/zinc/62/70/17/447627017.db2.gz OPUSRHLOHAXAFH-NEPJUHHUSA-N 1 2 327.406 1.616 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000451933652 447789923 /nfs/dbraw/zinc/78/99/23/447789923.db2.gz OPADBWNLCAYYTH-LLVKDONJSA-N 1 2 338.389 1.992 20 5 EDBDLO C[C@H]1C[N@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000523463767 447888121 /nfs/dbraw/zinc/88/81/21/447888121.db2.gz NEUUKZOSYFJLID-JTQLQIEISA-N 1 2 333.348 1.376 20 5 EDBDLO C[C@H]1C[N@@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000523463767 447888123 /nfs/dbraw/zinc/88/81/23/447888123.db2.gz NEUUKZOSYFJLID-JTQLQIEISA-N 1 2 333.348 1.376 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491518774 448051790 /nfs/dbraw/zinc/05/17/90/448051790.db2.gz FYXCNPKPRGKHTF-FHMRSRPSSA-N 1 2 337.351 1.584 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491518774 448051794 /nfs/dbraw/zinc/05/17/94/448051794.db2.gz FYXCNPKPRGKHTF-FHMRSRPSSA-N 1 2 337.351 1.584 20 5 EDBDLO C[C@H]1C[N@H+](CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CCO1 ZINC000582487008 448253073 /nfs/dbraw/zinc/25/30/73/448253073.db2.gz VPQLNDOLIHKOLP-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@H]1C[N@@H+](CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CCO1 ZINC000582487008 448253080 /nfs/dbraw/zinc/25/30/80/448253080.db2.gz VPQLNDOLIHKOLP-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO CN(CCCn1cc[nH+]c1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532616305 448282487 /nfs/dbraw/zinc/28/24/87/448282487.db2.gz NRFQPBYKYSMJPV-UHFFFAOYSA-N 1 2 347.375 1.902 20 5 EDBDLO O=C1CCCN1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000566801090 448562173 /nfs/dbraw/zinc/56/21/73/448562173.db2.gz QUCGETOFAYJZJH-UHFFFAOYSA-N 1 2 348.403 1.461 20 5 EDBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc([N+](=O)[O-])c[nH]2)cn1 ZINC000567458680 448697580 /nfs/dbraw/zinc/69/75/80/448697580.db2.gz VAXXSPJZHHZZFP-UHFFFAOYSA-N 1 2 343.347 1.196 20 5 EDBDLO COC(=O)c1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000567522194 448710668 /nfs/dbraw/zinc/71/06/68/448710668.db2.gz IOHDCFDOWTUVDP-VXGBXAGGSA-N 1 2 338.360 1.869 20 5 EDBDLO Cc1cccn2cc(CNC(=O)c3ccnc(N)c3[N+](=O)[O-])[nH+]c12 ZINC000547730787 448921307 /nfs/dbraw/zinc/92/13/07/448921307.db2.gz VSZJKIUTYNITGF-UHFFFAOYSA-N 1 2 326.316 1.458 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c(C)nc1N ZINC000592798512 448994491 /nfs/dbraw/zinc/99/44/91/448994491.db2.gz DDBWXKDZJYGTFK-CYBMUJFWSA-N 1 2 343.387 2.161 20 5 EDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000521621725 449002123 /nfs/dbraw/zinc/00/21/23/449002123.db2.gz CCEWXCXQXMYUBL-JTQLQIEISA-N 1 2 332.320 1.069 20 5 EDBDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595660890 449102129 /nfs/dbraw/zinc/10/21/29/449102129.db2.gz GHCSYCOOHNCKTF-MRXNPFEDSA-N 1 2 337.376 1.315 20 5 EDBDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595660890 449102134 /nfs/dbraw/zinc/10/21/34/449102134.db2.gz GHCSYCOOHNCKTF-MRXNPFEDSA-N 1 2 337.376 1.315 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000590078649 449104872 /nfs/dbraw/zinc/10/48/72/449104872.db2.gz DULRLPKMGRANEW-UHFFFAOYSA-N 1 2 343.387 1.353 20 5 EDBDLO CC[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084416 449163386 /nfs/dbraw/zinc/16/33/86/449163386.db2.gz UARAESDETFXMSU-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO CC[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084416 449163390 /nfs/dbraw/zinc/16/33/90/449163390.db2.gz UARAESDETFXMSU-NSHDSACASA-N 1 2 327.406 1.529 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590377574 449139988 /nfs/dbraw/zinc/13/99/88/449139988.db2.gz JJQXABMNOFEGMP-SNVBAGLBSA-N 1 2 347.379 1.135 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590377574 449139993 /nfs/dbraw/zinc/13/99/93/449139993.db2.gz JJQXABMNOFEGMP-SNVBAGLBSA-N 1 2 347.379 1.135 20 5 EDBDLO Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000590589043 449205252 /nfs/dbraw/zinc/20/52/52/449205252.db2.gz GSNYEHJRYJTEOS-UHFFFAOYSA-N 1 2 328.325 1.217 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597995956 449181237 /nfs/dbraw/zinc/18/12/37/449181237.db2.gz HIUDSLAZFOQFDN-OLZOCXBDSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597995956 449181242 /nfs/dbraw/zinc/18/12/42/449181242.db2.gz HIUDSLAZFOQFDN-OLZOCXBDSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597999405 449185607 /nfs/dbraw/zinc/18/56/07/449185607.db2.gz WIRMXKOJUMPJFQ-VXGBXAGGSA-N 1 2 339.367 1.502 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597999405 449185611 /nfs/dbraw/zinc/18/56/11/449185611.db2.gz WIRMXKOJUMPJFQ-VXGBXAGGSA-N 1 2 339.367 1.502 20 5 EDBDLO C[C@](O)(C[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000601956698 449244061 /nfs/dbraw/zinc/24/40/61/449244061.db2.gz FSPPQSPTDFWUDF-PBHICJAKSA-N 1 2 336.388 1.570 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000604528032 449246482 /nfs/dbraw/zinc/24/64/82/449246482.db2.gz WPMIBIBZUPEVIH-UHFFFAOYSA-N 1 2 343.387 1.920 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600420021 449365625 /nfs/dbraw/zinc/36/56/25/449365625.db2.gz HREZJLBKQVZEAR-LLVKDONJSA-N 1 2 327.768 1.617 20 5 EDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600420021 449365628 /nfs/dbraw/zinc/36/56/28/449365628.db2.gz HREZJLBKQVZEAR-LLVKDONJSA-N 1 2 327.768 1.617 20 5 EDBDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598647570 449517302 /nfs/dbraw/zinc/51/73/02/449517302.db2.gz OVPIQQBPXORSKA-CHWSQXEVSA-N 1 2 342.417 1.319 20 5 EDBDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598647570 449517304 /nfs/dbraw/zinc/51/73/04/449517304.db2.gz OVPIQQBPXORSKA-CHWSQXEVSA-N 1 2 342.417 1.319 20 5 EDBDLO CO[C@@](C)(CO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594511410 449560025 /nfs/dbraw/zinc/56/00/25/449560025.db2.gz MXQSVKKREUONDE-GDBMZVCRSA-N 1 2 334.376 1.405 20 5 EDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601112938 449696569 /nfs/dbraw/zinc/69/65/69/449696569.db2.gz BMUGVHGZVZTBDZ-UHFFFAOYSA-N 1 2 348.382 1.801 20 5 EDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779649 449691608 /nfs/dbraw/zinc/69/16/08/449691608.db2.gz XLSZZZQSKMEZGW-NSHDSACASA-N 1 2 328.394 1.095 20 5 EDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779649 449691611 /nfs/dbraw/zinc/69/16/11/449691611.db2.gz XLSZZZQSKMEZGW-NSHDSACASA-N 1 2 328.394 1.095 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cn1 ZINC000599184321 449784323 /nfs/dbraw/zinc/78/43/23/449784323.db2.gz ZPUKKVJFALBCRF-HNNXBMFYSA-N 1 2 329.360 1.698 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cn1 ZINC000599184321 449784327 /nfs/dbraw/zinc/78/43/27/449784327.db2.gz ZPUKKVJFALBCRF-HNNXBMFYSA-N 1 2 329.360 1.698 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599129942 449752036 /nfs/dbraw/zinc/75/20/36/449752036.db2.gz FVAFQEVQEBBGFO-MRXNPFEDSA-N 1 2 336.392 1.326 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599129942 449752041 /nfs/dbraw/zinc/75/20/41/449752041.db2.gz FVAFQEVQEBBGFO-MRXNPFEDSA-N 1 2 336.392 1.326 20 5 EDBDLO C[C@]1(CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599162859 449772825 /nfs/dbraw/zinc/77/28/25/449772825.db2.gz APWIRELVVQJFGP-CALCHBBNSA-N 1 2 331.372 1.960 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602790237 449811170 /nfs/dbraw/zinc/81/11/70/449811170.db2.gz CXYLWPZKBFPUMG-UHFFFAOYSA-N 1 2 348.407 1.522 20 5 EDBDLO Cc1noc(C)c1CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602790237 449811172 /nfs/dbraw/zinc/81/11/72/449811172.db2.gz CXYLWPZKBFPUMG-UHFFFAOYSA-N 1 2 348.407 1.522 20 5 EDBDLO Cn1cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602803359 449821085 /nfs/dbraw/zinc/82/10/85/449821085.db2.gz XFEPRWUGNKKKFS-OAHLLOKOSA-N 1 2 343.387 1.782 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])O1 ZINC000602822944 449833634 /nfs/dbraw/zinc/83/36/34/449833634.db2.gz HLKQTCGZULBOHQ-SQNXGDPESA-N 1 2 338.364 1.012 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])O1 ZINC000602822944 449833639 /nfs/dbraw/zinc/83/36/39/449833639.db2.gz HLKQTCGZULBOHQ-SQNXGDPESA-N 1 2 338.364 1.012 20 5 EDBDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599261492 449840757 /nfs/dbraw/zinc/84/07/57/449840757.db2.gz UIFHTGCOBJXJMJ-CYBMUJFWSA-N 1 2 337.376 1.031 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601383797 449899774 /nfs/dbraw/zinc/89/97/74/449899774.db2.gz PUEXNIOCXIHNDI-WDEREUQCSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601383797 449899776 /nfs/dbraw/zinc/89/97/76/449899776.db2.gz PUEXNIOCXIHNDI-WDEREUQCSA-N 1 2 345.396 1.755 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602914674 449916824 /nfs/dbraw/zinc/91/68/24/449916824.db2.gz DWDRKMJDGNQKTD-OAHLLOKOSA-N 1 2 340.380 1.144 20 5 EDBDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602914674 449916830 /nfs/dbraw/zinc/91/68/30/449916830.db2.gz DWDRKMJDGNQKTD-OAHLLOKOSA-N 1 2 340.380 1.144 20 5 EDBDLO O=[N+]([O-])c1ccc2ncnc(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000617975689 449957553 /nfs/dbraw/zinc/95/75/53/449957553.db2.gz VIZDJWLYZOFGJA-UHFFFAOYSA-N 1 2 329.360 1.815 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000609134665 449964695 /nfs/dbraw/zinc/96/46/95/449964695.db2.gz FVKATPCDZYLKHZ-SNVBAGLBSA-N 1 2 342.402 1.879 20 5 EDBDLO O=C(CN1CCc2[nH+]c[nH]c2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599429159 449970200 /nfs/dbraw/zinc/97/02/00/449970200.db2.gz IEIMTAUENOPZIO-UHFFFAOYSA-N 1 2 327.344 1.265 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000603007124 450003394 /nfs/dbraw/zinc/00/33/94/450003394.db2.gz ZAZAWVLVHMLZJV-UHFFFAOYSA-N 1 2 345.403 1.623 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354759 450018300 /nfs/dbraw/zinc/01/83/00/450018300.db2.gz NABLHJBCZNIPEQ-UHFFFAOYSA-N 1 2 331.332 1.175 20 5 EDBDLO Cc1c(Cn2cc(CC[NH+]3CCOCC3)nn2)cccc1[N+](=O)[O-] ZINC000603198999 450135735 /nfs/dbraw/zinc/13/57/35/450135735.db2.gz SPPRVSLUMRRRRW-UHFFFAOYSA-N 1 2 331.376 1.418 20 5 EDBDLO O=[N+]([O-])c1cc(Cn2cc(C[NH+]3CCSCC3)nn2)cs1 ZINC000603206880 450141676 /nfs/dbraw/zinc/14/16/76/450141676.db2.gz XPUOYZFKVSTLES-UHFFFAOYSA-N 1 2 325.419 1.845 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595504505 450192419 /nfs/dbraw/zinc/19/24/19/450192419.db2.gz DXVPARZUTODLIH-CQSZACIVSA-N 1 2 344.371 1.824 20 5 EDBDLO Cc1noc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000595504505 450192425 /nfs/dbraw/zinc/19/24/25/450192425.db2.gz DXVPARZUTODLIH-CQSZACIVSA-N 1 2 344.371 1.824 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000601734112 450198644 /nfs/dbraw/zinc/19/86/44/450198644.db2.gz DFHIVWSAXGOOKC-ZDUSSCGKSA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000601734112 450198651 /nfs/dbraw/zinc/19/86/51/450198651.db2.gz DFHIVWSAXGOOKC-ZDUSSCGKSA-N 1 2 327.768 1.651 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000615833431 450255955 /nfs/dbraw/zinc/25/59/55/450255955.db2.gz AHPPWUADQJHOOO-RVDMUPIBSA-N 1 2 346.431 1.704 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000615833431 450255959 /nfs/dbraw/zinc/25/59/59/450255959.db2.gz AHPPWUADQJHOOO-RVDMUPIBSA-N 1 2 346.431 1.704 20 5 EDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610533786 450256226 /nfs/dbraw/zinc/25/62/26/450256226.db2.gz OYDZHEZRCMHPNE-CQSZACIVSA-N 1 2 343.343 1.594 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000132342223 533819717 /nfs/dbraw/zinc/81/97/17/533819717.db2.gz MDENOJDJTFRYDL-UHFFFAOYSA-N 1 2 343.380 1.511 20 5 EDBDLO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000153649942 533976025 /nfs/dbraw/zinc/97/60/25/533976025.db2.gz NJJCAUWFFLDCED-CYBMUJFWSA-N 1 2 335.408 1.661 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000339439635 535809294 /nfs/dbraw/zinc/80/92/94/535809294.db2.gz JILRKHOOKNHCEH-LLVKDONJSA-N 1 2 349.395 1.219 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742145930 579436361 /nfs/dbraw/zinc/43/63/61/579436361.db2.gz GYSSJHOWXKNKSX-GFCCVEGCSA-N 1 2 331.332 1.306 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742145930 579436363 /nfs/dbraw/zinc/43/63/63/579436363.db2.gz GYSSJHOWXKNKSX-GFCCVEGCSA-N 1 2 331.332 1.306 20 5 EDBDLO CC[S@@](=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733879884 578787183 /nfs/dbraw/zinc/78/71/83/578787183.db2.gz RTDABHDOMMGRRH-HSZRJFAPSA-N 1 2 336.373 1.279 20 5 EDBDLO Cn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C2 ZINC000737618725 579121104 /nfs/dbraw/zinc/12/11/04/579121104.db2.gz KRJCRESECDCIMQ-UHFFFAOYSA-N 1 2 326.320 1.071 20 5 EDBDLO Cn1nccc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000747273549 579636956 /nfs/dbraw/zinc/63/69/56/579636956.db2.gz XGBNADOMEIDBSJ-UHFFFAOYSA-N 1 2 327.300 1.871 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748209047 579675761 /nfs/dbraw/zinc/67/57/61/579675761.db2.gz UGACNLSTVFMDEM-UHFFFAOYSA-N 1 2 327.300 1.987 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798430 579740201 /nfs/dbraw/zinc/74/02/01/579740201.db2.gz HQMBLSBGLDWBBY-NEPJUHHUSA-N 1 2 345.355 1.507 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798430 579740202 /nfs/dbraw/zinc/74/02/02/579740202.db2.gz HQMBLSBGLDWBBY-NEPJUHHUSA-N 1 2 345.355 1.507 20 5 EDBDLO Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000757843239 579972096 /nfs/dbraw/zinc/97/20/96/579972096.db2.gz OSYJQZBRAPEYSR-UHFFFAOYSA-N 1 2 326.784 1.554 20 5 EDBDLO Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000757843239 579972097 /nfs/dbraw/zinc/97/20/97/579972097.db2.gz OSYJQZBRAPEYSR-UHFFFAOYSA-N 1 2 326.784 1.554 20 5 EDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768562414 580216194 /nfs/dbraw/zinc/21/61/94/580216194.db2.gz NNLMAYYHAYDHMV-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768562414 580216195 /nfs/dbraw/zinc/21/61/95/580216195.db2.gz NNLMAYYHAYDHMV-UWVGGRQHSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000770728558 580269675 /nfs/dbraw/zinc/26/96/75/580269675.db2.gz PSBWBZGHULJYFB-BXKDBHETSA-N 1 2 327.768 1.697 20 5 EDBDLO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000770728558 580269676 /nfs/dbraw/zinc/26/96/76/580269676.db2.gz PSBWBZGHULJYFB-BXKDBHETSA-N 1 2 327.768 1.697 20 5 EDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000779566039 580489973 /nfs/dbraw/zinc/48/99/73/580489973.db2.gz ZTFRHLWJTWCTFG-LBPRGKRZSA-N 1 2 332.316 1.071 20 5 EDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000781563559 580552498 /nfs/dbraw/zinc/55/24/98/580552498.db2.gz QPDJRLIPUUCSLV-UHFFFAOYSA-N 1 2 347.331 1.839 20 5 EDBDLO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786788788 580679256 /nfs/dbraw/zinc/67/92/56/580679256.db2.gz PMSGTRBGMAPVMF-LLVKDONJSA-N 1 2 327.406 1.895 20 5 EDBDLO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786788788 580679257 /nfs/dbraw/zinc/67/92/57/580679257.db2.gz PMSGTRBGMAPVMF-LLVKDONJSA-N 1 2 327.406 1.895 20 5 EDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000790461401 580770907 /nfs/dbraw/zinc/77/09/07/580770907.db2.gz SODVCPHDQVJYHE-CQSZACIVSA-N 1 2 329.360 1.599 20 5 EDBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000790461401 580770908 /nfs/dbraw/zinc/77/09/08/580770908.db2.gz SODVCPHDQVJYHE-CQSZACIVSA-N 1 2 329.360 1.599 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000793182335 580837569 /nfs/dbraw/zinc/83/75/69/580837569.db2.gz POAAHDQGEDSORS-HNNXBMFYSA-N 1 2 332.360 1.969 20 5 EDBDLO COC(=O)c1cc(C(=O)OCCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000793259209 580839902 /nfs/dbraw/zinc/83/99/02/580839902.db2.gz RDVNBGIITWLDNP-UHFFFAOYSA-N 1 2 333.300 1.514 20 5 EDBDLO COC(=O)[C@]1(C)CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794631507 580900779 /nfs/dbraw/zinc/90/07/79/580900779.db2.gz CBVBVBNHXKWJFJ-OAHLLOKOSA-N 1 2 335.316 1.345 20 5 EDBDLO COC(=O)[C@]1(C)CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794631507 580900780 /nfs/dbraw/zinc/90/07/80/580900780.db2.gz CBVBVBNHXKWJFJ-OAHLLOKOSA-N 1 2 335.316 1.345 20 5 EDBDLO CC(C)C[C@H]1NC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795645008 580932555 /nfs/dbraw/zinc/93/25/55/580932555.db2.gz NDZKDVWOMIDYKC-CQSZACIVSA-N 1 2 348.403 1.993 20 5 EDBDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795645008 580932556 /nfs/dbraw/zinc/93/25/56/580932556.db2.gz NDZKDVWOMIDYKC-CQSZACIVSA-N 1 2 348.403 1.993 20 5 EDBDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795658874 580933165 /nfs/dbraw/zinc/93/31/65/580933165.db2.gz VLFIHDBJCIKIIQ-JTQLQIEISA-N 1 2 349.313 1.529 20 5 EDBDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000795658874 580933166 /nfs/dbraw/zinc/93/31/66/580933166.db2.gz VLFIHDBJCIKIIQ-JTQLQIEISA-N 1 2 349.313 1.529 20 5 EDBDLO C[C@@H]1C[N@H+](CCOC(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000800083487 581042347 /nfs/dbraw/zinc/04/23/47/581042347.db2.gz VBWIUILSYUQLNJ-GFCCVEGCSA-N 1 2 340.401 1.951 20 5 EDBDLO C[C@@H]1C[N@@H+](CCOC(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000800083487 581042348 /nfs/dbraw/zinc/04/23/48/581042348.db2.gz VBWIUILSYUQLNJ-GFCCVEGCSA-N 1 2 340.401 1.951 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800222187 581048130 /nfs/dbraw/zinc/04/81/30/581048130.db2.gz YFTSTGLUKAFZBR-LBPRGKRZSA-N 1 2 338.360 1.871 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800222187 581048131 /nfs/dbraw/zinc/04/81/31/581048131.db2.gz YFTSTGLUKAFZBR-LBPRGKRZSA-N 1 2 338.360 1.871 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801524693 581079027 /nfs/dbraw/zinc/07/90/27/581079027.db2.gz LRQGYSMGPQZVNC-QFIPXVFZSA-N 1 2 329.397 1.230 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000801566632 581080249 /nfs/dbraw/zinc/08/02/49/581080249.db2.gz DJAXRDIGMHAPIK-WCQYABFASA-N 1 2 332.303 1.300 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000801566632 581080250 /nfs/dbraw/zinc/08/02/50/581080250.db2.gz DJAXRDIGMHAPIK-WCQYABFASA-N 1 2 332.303 1.300 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000894135401 591204495 /nfs/dbraw/zinc/20/44/95/591204495.db2.gz YHUMAYWAWLTGJF-UHFFFAOYSA-N 1 2 325.332 1.359 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](O)[C@@H](F)C1 ZINC000897377860 591354265 /nfs/dbraw/zinc/35/42/65/591354265.db2.gz JCXKWZHOBUHCHS-BBRMVZONSA-N 1 2 339.367 1.336 20 5 EDBDLO O=[N+]([O-])CC[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000905081164 592389269 /nfs/dbraw/zinc/38/92/69/592389269.db2.gz HODLSIBEWHVYCK-UHFFFAOYSA-N 1 2 326.154 1.601 20 5 EDBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC([NH+]2CCCC2)C1 ZINC000912321413 593086661 /nfs/dbraw/zinc/08/66/61/593086661.db2.gz HLERABGVMKAYKJ-UHFFFAOYSA-N 1 2 341.371 1.905 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]1C ZINC000794644338 593185387 /nfs/dbraw/zinc/18/53/87/593185387.db2.gz HGSADPAIBHSKJK-VHSXEESVSA-N 1 2 335.316 1.344 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]1C ZINC000794644338 593185388 /nfs/dbraw/zinc/18/53/88/593185388.db2.gz HGSADPAIBHSKJK-VHSXEESVSA-N 1 2 335.316 1.344 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000840140606 593259514 /nfs/dbraw/zinc/25/95/14/593259514.db2.gz JYIUUTUEKFQMQK-QGZVFWFLSA-N 1 2 345.355 1.651 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000840140606 593259515 /nfs/dbraw/zinc/25/95/15/593259515.db2.gz JYIUUTUEKFQMQK-QGZVFWFLSA-N 1 2 345.355 1.651 20 5 EDBDLO C[C@@H]1C[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000839990442 593300558 /nfs/dbraw/zinc/30/05/58/593300558.db2.gz GRRKGOZNDIWPSC-IAQYHMDHSA-N 1 2 337.401 1.927 20 5 EDBDLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000839990442 593300560 /nfs/dbraw/zinc/30/05/60/593300560.db2.gz GRRKGOZNDIWPSC-IAQYHMDHSA-N 1 2 337.401 1.927 20 5 EDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC2(CCC2)C1=O ZINC000840066140 593460348 /nfs/dbraw/zinc/46/03/48/593460348.db2.gz QTOFVMQAEQRXMJ-UHFFFAOYSA-N 1 2 331.372 1.956 20 5 EDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC2(CCC2)C1=O ZINC000840066140 593460349 /nfs/dbraw/zinc/46/03/49/593460349.db2.gz QTOFVMQAEQRXMJ-UHFFFAOYSA-N 1 2 331.372 1.956 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000811466599 593471552 /nfs/dbraw/zinc/47/15/52/593471552.db2.gz UEJIBOWVISEKQV-UHFFFAOYSA-N 1 2 345.359 1.879 20 5 EDBDLO Nc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000819917031 593777132 /nfs/dbraw/zinc/77/71/32/593777132.db2.gz YYZXNFNSZUTMJL-OAHLLOKOSA-N 1 2 334.376 1.759 20 5 EDBDLO Nc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000819917031 593777133 /nfs/dbraw/zinc/77/71/33/593777133.db2.gz YYZXNFNSZUTMJL-OAHLLOKOSA-N 1 2 334.376 1.759 20 5 EDBDLO C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1[nH]cc[nH+]1 ZINC000820267765 593804457 /nfs/dbraw/zinc/80/44/57/593804457.db2.gz HPXHRAXYQPHBMF-NOZJJQNGSA-N 1 2 329.316 1.688 20 5 EDBDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830130550 594341294 /nfs/dbraw/zinc/34/12/94/594341294.db2.gz BRVDYGJGBHHBJF-UHFFFAOYSA-N 1 2 328.756 1.255 20 5 EDBDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830130550 594341296 /nfs/dbraw/zinc/34/12/96/594341296.db2.gz BRVDYGJGBHHBJF-UHFFFAOYSA-N 1 2 328.756 1.255 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1F ZINC000830627859 594442811 /nfs/dbraw/zinc/44/28/11/594442811.db2.gz LPVXQDHDJRFTBM-GXSJLCMTSA-N 1 2 343.330 1.630 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1F ZINC000830627859 594442813 /nfs/dbraw/zinc/44/28/13/594442813.db2.gz LPVXQDHDJRFTBM-GXSJLCMTSA-N 1 2 343.330 1.630 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c(-c2nn[nH]n2)c1 ZINC000826498611 594502761 /nfs/dbraw/zinc/50/27/61/594502761.db2.gz CQKFRWRMMKMTAM-LBPRGKRZSA-N 1 2 326.320 1.840 20 5 EDBDLO CC1(C)OC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000826908630 594599963 /nfs/dbraw/zinc/59/99/63/594599963.db2.gz CTZSPFVZXIFSGB-GFCCVEGCSA-N 1 2 346.343 1.662 20 5 EDBDLO CC(C)OC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103990961 594814173 /nfs/dbraw/zinc/81/41/73/594814173.db2.gz OTUTZKQEMWKPDI-UHFFFAOYSA-N 1 2 332.316 1.462 20 5 EDBDLO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)NC1CC1 ZINC000835386857 594820784 /nfs/dbraw/zinc/82/07/84/594820784.db2.gz ZVRMIMLSIFSPOJ-SNVBAGLBSA-N 1 2 344.327 1.604 20 5 EDBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625537 595147640 /nfs/dbraw/zinc/14/76/40/595147640.db2.gz KZTBEBLWKHPTLK-RISCZKNCSA-N 1 2 346.343 1.480 20 5 EDBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625537 595147641 /nfs/dbraw/zinc/14/76/41/595147641.db2.gz KZTBEBLWKHPTLK-RISCZKNCSA-N 1 2 346.343 1.480 20 5 EDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000101531486 595164533 /nfs/dbraw/zinc/16/45/33/595164533.db2.gz SREQKKLHROPRGI-UHFFFAOYSA-N 1 2 348.363 1.287 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)OCC2CN(c3cccc[nH+]3)C2)n1 ZINC000842886518 595225665 /nfs/dbraw/zinc/22/56/65/595225665.db2.gz JGXJDRQCMQTBSJ-UHFFFAOYSA-N 1 2 331.332 1.499 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000848174398 595332849 /nfs/dbraw/zinc/33/28/49/595332849.db2.gz IWXXWKBZMDLQNY-UHFFFAOYSA-N 1 2 332.316 1.319 20 5 EDBDLO CNc1nccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000848791089 595449014 /nfs/dbraw/zinc/44/90/14/595449014.db2.gz LQVMEDFGKJHGFD-PHIMTYICSA-N 1 2 336.348 1.052 20 5 EDBDLO CNc1nccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000848791089 595449016 /nfs/dbraw/zinc/44/90/16/595449016.db2.gz 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COC(=O)/C=C/c1ccc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000858767542 595885985 /nfs/dbraw/zinc/88/59/85/595885985.db2.gz BWIDHFZINCZJMT-BPJJOFIESA-N 1 2 335.360 1.524 20 5 EDBDLO COC(=O)/C=C/c1ccc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000858767542 595885988 /nfs/dbraw/zinc/88/59/88/595885988.db2.gz BWIDHFZINCZJMT-BPJJOFIESA-N 1 2 335.360 1.524 20 5 EDBDLO C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1[nH+]ccn1C ZINC000856282686 595941653 /nfs/dbraw/zinc/94/16/53/595941653.db2.gz YOSPYJHIXHCXNU-QMTHXVAHSA-N 1 2 343.343 1.699 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)n1 ZINC000856530392 596011849 /nfs/dbraw/zinc/01/18/49/596011849.db2.gz AZMDNELRYPVWCW-UONOGXRCSA-N 1 2 341.371 1.653 20 5 EDBDLO O=C(CN1CCn2c[nH+]cc2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852060436 596026730 /nfs/dbraw/zinc/02/67/30/596026730.db2.gz FKOHVBBAXPYRQS-UHFFFAOYSA-N 1 2 335.751 1.899 20 5 EDBDLO Cc1c(C(=O)N2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 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O=[N+]([O-])c1cnn(CCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000277903710 273233280 /nfs/dbraw/zinc/23/32/80/273233280.db2.gz BRVWCSYXQADHQT-DGCLKSJQSA-N 1 2 348.363 1.343 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279248038 273288489 /nfs/dbraw/zinc/28/84/89/273288489.db2.gz GUNAQDGJNFBVPT-LBPRGKRZSA-N 1 2 346.387 1.869 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284045108 274059502 /nfs/dbraw/zinc/05/95/02/274059502.db2.gz OZXMJTHMRLDHJE-CABCVRRESA-N 1 2 334.376 1.209 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284045108 274059503 /nfs/dbraw/zinc/05/95/03/274059503.db2.gz OZXMJTHMRLDHJE-CABCVRRESA-N 1 2 334.376 1.209 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284704343 274300620 /nfs/dbraw/zinc/30/06/20/274300620.db2.gz ZEVMGYFGYNMEDK-CVEARBPZSA-N 1 2 347.415 1.804 20 5 EDBDLO 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EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611083878 449162807 /nfs/dbraw/zinc/16/28/07/449162807.db2.gz IEZZHXBOYUBGGC-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611083878 449162815 /nfs/dbraw/zinc/16/28/15/449162815.db2.gz IEZZHXBOYUBGGC-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cn(C)nn1 ZINC000595757779 449150387 /nfs/dbraw/zinc/15/03/87/449150387.db2.gz HMAWGTBFSRHYAH-UHFFFAOYSA-N 1 2 348.363 1.193 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cn(C)nn1 ZINC000595757779 449150391 /nfs/dbraw/zinc/15/03/91/449150391.db2.gz HMAWGTBFSRHYAH-UHFFFAOYSA-N 1 2 348.363 1.193 20 5 EDBDLO COc1c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000597992789 449176884 /nfs/dbraw/zinc/17/68/84/449176884.db2.gz CWIRBIXNEMMOPF-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000597992789 449176887 /nfs/dbraw/zinc/17/68/87/449176887.db2.gz CWIRBIXNEMMOPF-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO Cc1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611276748 449246645 /nfs/dbraw/zinc/24/66/45/449246645.db2.gz BUHCSVYOKRJHPT-UHFFFAOYSA-N 1 2 327.406 1.371 20 5 EDBDLO Cc1ccc(C[N@@H+](C)CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611276748 449246650 /nfs/dbraw/zinc/24/66/50/449246650.db2.gz BUHCSVYOKRJHPT-UHFFFAOYSA-N 1 2 327.406 1.371 20 5 EDBDLO COc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596110534 449366708 /nfs/dbraw/zinc/36/67/08/449366708.db2.gz OEALVZLVVDODLG-SNVBAGLBSA-N 1 2 329.784 1.760 20 5 EDBDLO Cn1cnnc1N1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000594022655 449328628 /nfs/dbraw/zinc/32/86/28/449328628.db2.gz LHACSJBUZJORKN-UHFFFAOYSA-N 1 2 343.347 1.187 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000598449527 449399896 /nfs/dbraw/zinc/39/98/96/449399896.db2.gz SFRTZJAYAAOVDH-SJKOYZFVSA-N 1 2 344.371 1.871 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196705 449424853 /nfs/dbraw/zinc/42/48/53/449424853.db2.gz AARGBMKUUQZJCK-UHFFFAOYSA-N 1 2 329.360 1.318 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602370510 449547163 /nfs/dbraw/zinc/54/71/63/449547163.db2.gz FSTVETNIGLOGLS-GFCCVEGCSA-N 1 2 336.392 1.460 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602370510 449547166 /nfs/dbraw/zinc/54/71/66/449547166.db2.gz FSTVETNIGLOGLS-GFCCVEGCSA-N 1 2 336.392 1.460 20 5 EDBDLO COc1c(C)[nH+]cnc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000594566149 449576563 /nfs/dbraw/zinc/57/65/63/449576563.db2.gz DYOAFOZRMWBQMP-NSHDSACASA-N 1 2 330.348 1.788 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(C)c1[N+](=O)[O-] ZINC000598714230 449558920 /nfs/dbraw/zinc/55/89/20/449558920.db2.gz GYNGDXPFNZFBQF-CQSZACIVSA-N 1 2 345.396 1.534 20 5 EDBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598949291 449665862 /nfs/dbraw/zinc/66/58/62/449665862.db2.gz XXVRDZYIJJNJNA-SECBINFHSA-N 1 2 338.270 1.747 20 5 EDBDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596821310 449668288 /nfs/dbraw/zinc/66/82/88/449668288.db2.gz RYMJECDOKUBSEQ-CQSZACIVSA-N 1 2 334.376 1.842 20 5 EDBDLO CC(C)NS(=O)(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599037384 449705793 /nfs/dbraw/zinc/70/57/93/449705793.db2.gz ZWNWDOKDHRZLAZ-UHFFFAOYSA-N 1 2 338.389 1.883 20 5 EDBDLO O=C1[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C1CCC1 ZINC000602762543 449789602 /nfs/dbraw/zinc/78/96/02/449789602.db2.gz MONXXODUCCLEOV-KRWDZBQOSA-N 1 2 344.415 1.870 20 5 EDBDLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602683847 449748384 /nfs/dbraw/zinc/74/83/84/449748384.db2.gz WJIXAJMAPLFSBL-LBPRGKRZSA-N 1 2 336.392 1.888 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCc3c([nH+]cn3C)C2)c([N+](=O)[O-])s1 ZINC000601367084 449881278 /nfs/dbraw/zinc/88/12/78/449881278.db2.gz LHVIKIVXQDFGAB-UHFFFAOYSA-N 1 2 342.402 1.445 20 5 EDBDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602944595 449945855 /nfs/dbraw/zinc/94/58/55/449945855.db2.gz RQWGQMOGPAEMJO-OAHLLOKOSA-N 1 2 346.387 1.864 20 5 EDBDLO O=C(CN1CC[NH+](Cc2cn[nH]c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599439006 449976482 /nfs/dbraw/zinc/97/64/82/449976482.db2.gz HVZJRLCMQKQKJC-UHFFFAOYSA-N 1 2 344.375 1.074 20 5 EDBDLO COC(=O)c1cc(NC(=O)CCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000609883951 450109878 /nfs/dbraw/zinc/10/98/78/450109878.db2.gz WONOBWFKOOVDGS-UHFFFAOYSA-N 1 2 332.316 1.997 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000610237950 450156996 /nfs/dbraw/zinc/15/69/96/450156996.db2.gz DBBFMGKMPOTOQX-AWEZNQCLSA-N 1 2 333.388 1.840 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000601737953 450202950 /nfs/dbraw/zinc/20/29/50/450202950.db2.gz WQDSPJKVZLDPPT-AWEZNQCLSA-N 1 2 335.404 1.923 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601737953 450202954 /nfs/dbraw/zinc/20/29/54/450202954.db2.gz WQDSPJKVZLDPPT-AWEZNQCLSA-N 1 2 335.404 1.923 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000601734111 450199049 /nfs/dbraw/zinc/19/90/49/450199049.db2.gz DFHIVWSAXGOOKC-CYBMUJFWSA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000601734111 450199053 /nfs/dbraw/zinc/19/90/53/450199053.db2.gz DFHIVWSAXGOOKC-CYBMUJFWSA-N 1 2 327.768 1.651 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000603373384 450268582 /nfs/dbraw/zinc/26/85/82/450268582.db2.gz CQZMDZDEFAZNLA-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603373384 450268586 /nfs/dbraw/zinc/26/85/86/450268586.db2.gz CQZMDZDEFAZNLA-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO COc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000610604250 450271631 /nfs/dbraw/zinc/27/16/31/450271631.db2.gz JVAYXXHALTUULF-AOOOYVTPSA-N 1 2 348.302 1.132 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000610604250 450271635 /nfs/dbraw/zinc/27/16/35/450271635.db2.gz JVAYXXHALTUULF-AOOOYVTPSA-N 1 2 348.302 1.132 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610678656 450294966 /nfs/dbraw/zinc/29/49/66/450294966.db2.gz YVQJCJNIQFSCFZ-LBPRGKRZSA-N 1 2 338.433 1.789 20 5 EDBDLO CCOC(=O)c1ccnc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000610909528 450378800 /nfs/dbraw/zinc/37/88/00/450378800.db2.gz ZZCFUNSRNAHACX-ZYHUDNBSSA-N 1 2 338.364 1.298 20 5 EDBDLO CCOC(=O)c1ccnc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000610909528 450378803 /nfs/dbraw/zinc/37/88/03/450378803.db2.gz ZZCFUNSRNAHACX-ZYHUDNBSSA-N 1 2 338.364 1.298 20 5 EDBDLO O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598302965 490995814 /nfs/dbraw/zinc/99/58/14/490995814.db2.gz GGBXBTKYAAZPTI-CABCVRRESA-N 1 2 342.355 1.814 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000132285570 533819241 /nfs/dbraw/zinc/81/92/41/533819241.db2.gz JVUSPWIUNZAHCS-UHFFFAOYSA-N 1 2 345.396 1.757 20 5 EDBDLO CC(C)(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1c[nH+]c[nH]1 ZINC000332137562 535023422 /nfs/dbraw/zinc/02/34/22/535023422.db2.gz LLZMYLRRLBYTCJ-UHFFFAOYSA-N 1 2 343.387 1.944 20 5 EDBDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cn1 ZINC000264303191 536054655 /nfs/dbraw/zinc/05/46/55/536054655.db2.gz WGWYGGVFTGWECJ-UHFFFAOYSA-N 1 2 346.391 1.487 20 5 EDBDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cn1 ZINC000264303191 536054658 /nfs/dbraw/zinc/05/46/58/536054658.db2.gz WGWYGGVFTGWECJ-UHFFFAOYSA-N 1 2 346.391 1.487 20 5 EDBDLO CNC(=O)c1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353035153 536424146 /nfs/dbraw/zinc/42/41/46/536424146.db2.gz UGZZFOGTWLECKI-UHFFFAOYSA-N 1 2 326.356 1.908 20 5 EDBDLO CNC(=O)c1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353035153 536424151 /nfs/dbraw/zinc/42/41/51/536424151.db2.gz UGZZFOGTWLECKI-UHFFFAOYSA-N 1 2 326.356 1.908 20 5 EDBDLO CCn1cc(C[N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cn1 ZINC000749951836 579744931 /nfs/dbraw/zinc/74/49/31/579744931.db2.gz FKFRULUNAPRQLJ-UHFFFAOYSA-N 1 2 329.364 1.954 20 5 EDBDLO CCn1cc(C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cn1 ZINC000749951836 579744932 /nfs/dbraw/zinc/74/49/32/579744932.db2.gz FKFRULUNAPRQLJ-UHFFFAOYSA-N 1 2 329.364 1.954 20 5 EDBDLO CN(C)c1cc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc[nH+]1 ZINC000762477661 580075243 /nfs/dbraw/zinc/07/52/43/580075243.db2.gz QOJPKKQPKBFUCA-UHFFFAOYSA-N 1 2 341.327 1.921 20 5 EDBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCn1cc[nH+]c1 ZINC000763294803 580097146 /nfs/dbraw/zinc/09/71/46/580097146.db2.gz WCCGDJMUHKRKFA-UHFFFAOYSA-N 1 2 346.299 1.333 20 5 EDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768554651 580216070 /nfs/dbraw/zinc/21/60/70/580216070.db2.gz LOOWRLHIMXAPMW-JTQLQIEISA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768554651 580216071 /nfs/dbraw/zinc/21/60/71/580216071.db2.gz LOOWRLHIMXAPMW-JTQLQIEISA-N 1 2 333.797 1.501 20 5 EDBDLO CNC(=O)CC[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769315208 580233460 /nfs/dbraw/zinc/23/34/60/580233460.db2.gz HKRUHMDNVANCRH-UHFFFAOYSA-N 1 2 330.182 1.925 20 5 EDBDLO CNC(=O)CC[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769315208 580233461 /nfs/dbraw/zinc/23/34/61/580233461.db2.gz HKRUHMDNVANCRH-UHFFFAOYSA-N 1 2 330.182 1.925 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776593094 580423269 /nfs/dbraw/zinc/42/32/69/580423269.db2.gz WIEBWFSEOPFBEN-GXFFZTMASA-N 1 2 336.348 1.851 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776593094 580423270 /nfs/dbraw/zinc/42/32/70/580423270.db2.gz WIEBWFSEOPFBEN-GXFFZTMASA-N 1 2 336.348 1.851 20 5 EDBDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776603442 580423870 /nfs/dbraw/zinc/42/38/70/580423870.db2.gz QCNQQDXFPIXDTM-MRXNPFEDSA-N 1 2 347.415 1.961 20 5 EDBDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776603442 580423871 /nfs/dbraw/zinc/42/38/71/580423871.db2.gz QCNQQDXFPIXDTM-MRXNPFEDSA-N 1 2 347.415 1.961 20 5 EDBDLO NC(C[NH+]1CCSCC1)=NOCCOc1cccc([N+](=O)[O-])c1 ZINC000780128999 580514408 /nfs/dbraw/zinc/51/44/08/580514408.db2.gz XUALQGGDNRMSBK-UHFFFAOYSA-N 1 2 340.405 1.521 20 5 EDBDLO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000780864806 580535519 /nfs/dbraw/zinc/53/55/19/580535519.db2.gz AWNCSBIWWQASPR-JTQLQIEISA-N 1 2 331.369 1.497 20 5 EDBDLO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000780864806 580535520 /nfs/dbraw/zinc/53/55/20/580535520.db2.gz AWNCSBIWWQASPR-JTQLQIEISA-N 1 2 331.369 1.497 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000781662969 580554010 /nfs/dbraw/zinc/55/40/10/580554010.db2.gz MKNSDXGCYDOHMS-UHFFFAOYSA-N 1 2 340.299 1.510 20 5 EDBDLO CNc1[nH+]cnc2c1cnn2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789597868 580750216 /nfs/dbraw/zinc/75/02/16/580750216.db2.gz VGUJZMYVHLZAQQ-UHFFFAOYSA-N 1 2 329.276 1.733 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000790270996 580765509 /nfs/dbraw/zinc/76/55/09/580765509.db2.gz XNXHKWISBPTBTI-GFCCVEGCSA-N 1 2 336.392 1.423 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000790270996 580765510 /nfs/dbraw/zinc/76/55/10/580765510.db2.gz XNXHKWISBPTBTI-GFCCVEGCSA-N 1 2 336.392 1.423 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970646 580909514 /nfs/dbraw/zinc/90/95/14/580909514.db2.gz GJVZIRBKMJTCON-QQUHWDOBSA-N 1 2 333.344 1.273 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970646 580909515 /nfs/dbraw/zinc/90/95/15/580909515.db2.gz GJVZIRBKMJTCON-QQUHWDOBSA-N 1 2 333.344 1.273 20 5 EDBDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795667750 580933467 /nfs/dbraw/zinc/93/34/67/580933467.db2.gz PRIDXAHZYWMAAJ-JTQLQIEISA-N 1 2 349.313 1.529 20 5 EDBDLO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000795667750 580933468 /nfs/dbraw/zinc/93/34/68/580933468.db2.gz PRIDXAHZYWMAAJ-JTQLQIEISA-N 1 2 349.313 1.529 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800154585 581045348 /nfs/dbraw/zinc/04/53/48/581045348.db2.gz SMNBXOPMKZPEAX-ZDUSSCGKSA-N 1 2 347.371 1.813 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800154585 581045349 /nfs/dbraw/zinc/04/53/49/581045349.db2.gz SMNBXOPMKZPEAX-ZDUSSCGKSA-N 1 2 347.371 1.813 20 5 EDBDLO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896541025 591504626 /nfs/dbraw/zinc/50/46/26/591504626.db2.gz BZJQMUFHUCFWGA-ZENOOKHLSA-N 1 2 334.420 1.449 20 5 EDBDLO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896541025 591504628 /nfs/dbraw/zinc/50/46/28/591504628.db2.gz BZJQMUFHUCFWGA-ZENOOKHLSA-N 1 2 334.420 1.449 20 5 EDBDLO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247889 591681079 /nfs/dbraw/zinc/68/10/79/591681079.db2.gz JOHKOEBSRJQTBY-LRDDRELGSA-N 1 2 333.436 1.915 20 5 EDBDLO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247889 591681080 /nfs/dbraw/zinc/68/10/80/591681080.db2.gz JOHKOEBSRJQTBY-LRDDRELGSA-N 1 2 333.436 1.915 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1Br ZINC000905692674 592623995 /nfs/dbraw/zinc/62/39/95/592623995.db2.gz CRCJACTWWWAERH-QMMMGPOBSA-N 1 2 347.169 1.206 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1Br ZINC000905692674 592623999 /nfs/dbraw/zinc/62/39/99/592623999.db2.gz CRCJACTWWWAERH-QMMMGPOBSA-N 1 2 347.169 1.206 20 5 EDBDLO C[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCO1 ZINC000905740770 592634277 /nfs/dbraw/zinc/63/42/77/592634277.db2.gz SYOMVTKEVLQEQD-ZDUSSCGKSA-N 1 2 334.376 1.905 20 5 EDBDLO C[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCO1 ZINC000905740770 592634281 /nfs/dbraw/zinc/63/42/81/592634281.db2.gz SYOMVTKEVLQEQD-ZDUSSCGKSA-N 1 2 334.376 1.905 20 5 EDBDLO CCN(CC)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101206 593124587 /nfs/dbraw/zinc/12/45/87/593124587.db2.gz IIOZSIWOPCWYNO-UHFFFAOYSA-N 1 2 346.343 1.806 20 5 EDBDLO C[C@@]1(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CNC(=O)C1 ZINC000838992803 593248308 /nfs/dbraw/zinc/24/83/08/593248308.db2.gz HOEOIZRYJFTKMN-HNNXBMFYSA-N 1 2 330.300 1.216 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000809348015 593333009 /nfs/dbraw/zinc/33/30/09/593333009.db2.gz PDXVOAZFVLOHAX-UHFFFAOYSA-N 1 2 328.319 1.400 20 5 EDBDLO C[C@@H]1CSCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840010932 593345189 /nfs/dbraw/zinc/34/51/89/593345189.db2.gz WSAPKEUPAIEOPX-IAQYHMDHSA-N 1 2 337.401 1.927 20 5 EDBDLO C[C@@H]1CSCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840010932 593345192 /nfs/dbraw/zinc/34/51/92/593345192.db2.gz WSAPKEUPAIEOPX-IAQYHMDHSA-N 1 2 337.401 1.927 20 5 EDBDLO CC[C@H]1C[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000840065971 593460089 /nfs/dbraw/zinc/46/00/89/593460089.db2.gz HPIKHVIZIXGKIO-WMLDXEAASA-N 1 2 349.387 1.990 20 5 EDBDLO CC[C@H]1C[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000840065971 593460090 /nfs/dbraw/zinc/46/00/90/593460090.db2.gz HPIKHVIZIXGKIO-WMLDXEAASA-N 1 2 349.387 1.990 20 5 EDBDLO COCC[C@@H]1COCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000812299412 593495416 /nfs/dbraw/zinc/49/54/16/593495416.db2.gz JXYXJEKRJRODOC-CQSZACIVSA-N 1 2 334.376 1.948 20 5 EDBDLO COCC[C@@H]1COCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000812299412 593495417 /nfs/dbraw/zinc/49/54/17/593495417.db2.gz JXYXJEKRJRODOC-CQSZACIVSA-N 1 2 334.376 1.948 20 5 EDBDLO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000823997635 593904203 /nfs/dbraw/zinc/90/42/03/593904203.db2.gz FZSVHNDCPAYVEP-QWRGUYRKSA-N 1 2 337.380 1.408 20 5 EDBDLO C[C@H](C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000823022082 594138877 /nfs/dbraw/zinc/13/88/77/594138877.db2.gz ZHHLNMNHYVPOMQ-ZDUSSCGKSA-N 1 2 343.387 1.766 20 5 EDBDLO Cc1cn2c([nH+]1)CN(c1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC000826317265 594421965 /nfs/dbraw/zinc/42/19/65/594421965.db2.gz VHTOEELOISIMHQ-UHFFFAOYSA-N 1 2 326.320 1.300 20 5 EDBDLO O=C(C[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831176419 594575210 /nfs/dbraw/zinc/57/52/10/594575210.db2.gz UXUURPLXRNLLDD-ZDUSSCGKSA-N 1 2 349.721 1.889 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831176419 594575212 /nfs/dbraw/zinc/57/52/12/594575212.db2.gz UXUURPLXRNLLDD-ZDUSSCGKSA-N 1 2 349.721 1.889 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000831206581 594580945 /nfs/dbraw/zinc/58/09/45/594580945.db2.gz HFNMHIMVIXINNO-DZGCQCFKSA-N 1 2 344.371 1.768 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826985452 594617016 /nfs/dbraw/zinc/61/70/16/594617016.db2.gz GZEZDCRBNHVKAN-ZYHUDNBSSA-N 1 2 334.781 1.150 20 5 EDBDLO C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000827063933 594632975 /nfs/dbraw/zinc/63/29/75/594632975.db2.gz MMICYAZNIXNYJE-KCXAZCMYSA-N 1 2 344.371 1.934 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000101904918 595254562 /nfs/dbraw/zinc/25/45/62/595254562.db2.gz MNUHNLZGMYOFPK-AWEZNQCLSA-N 1 2 337.424 1.850 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000101904918 595254564 /nfs/dbraw/zinc/25/45/64/595254564.db2.gz MNUHNLZGMYOFPK-AWEZNQCLSA-N 1 2 337.424 1.850 20 5 EDBDLO CC(=O)N[C@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490045 595394620 /nfs/dbraw/zinc/39/46/20/595394620.db2.gz WTMGZMRPOFNTIJ-GOEBONIOSA-N 1 2 346.387 1.079 20 5 EDBDLO CC(=O)N[C@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490045 595394623 /nfs/dbraw/zinc/39/46/23/595394623.db2.gz WTMGZMRPOFNTIJ-GOEBONIOSA-N 1 2 346.387 1.079 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)CO ZINC000855112915 595600235 /nfs/dbraw/zinc/60/02/35/595600235.db2.gz PTZSTXREEDGCQG-LBPRGKRZSA-N 1 2 326.397 1.431 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000855114358 595601219 /nfs/dbraw/zinc/60/12/19/595601219.db2.gz LQBSTLWTWLCPQM-CYBMUJFWSA-N 1 2 347.375 1.400 20 5 EDBDLO Cc1c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857887631 595643811 /nfs/dbraw/zinc/64/38/11/595643811.db2.gz NMWPSNMAAFDYOG-VIFPVBQESA-N 1 2 331.288 1.363 20 5 EDBDLO C[N@H+](C[C@H]1COCCO1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853556683 595800646 /nfs/dbraw/zinc/80/06/46/595800646.db2.gz BKQQGGNAUOMHFV-AWEZNQCLSA-N 1 2 333.348 1.158 20 5 EDBDLO C[N@@H+](C[C@H]1COCCO1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853556683 595800649 /nfs/dbraw/zinc/80/06/49/595800649.db2.gz BKQQGGNAUOMHFV-AWEZNQCLSA-N 1 2 333.348 1.158 20 5 EDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000853652404 595846930 /nfs/dbraw/zinc/84/69/30/595846930.db2.gz KTLLYQVIFIZOCQ-GFCCVEGCSA-N 1 2 336.348 1.804 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ncns3)CC2)c1 ZINC000852127602 596053454 /nfs/dbraw/zinc/05/34/54/596053454.db2.gz VRJYWFGBTAHGNV-ZDUSSCGKSA-N 1 2 335.389 1.302 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000862111247 596241314 /nfs/dbraw/zinc/24/13/14/596241314.db2.gz DMJVBRYCLKBPAJ-UHFFFAOYSA-N 1 2 340.311 1.620 20 5 EDBDLO O=C(/C=C\C[NH+]1CCOCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000867693421 596499776 /nfs/dbraw/zinc/49/97/76/596499776.db2.gz HHAWSZQEWYZOGA-UPHRSURJSA-N 1 2 347.371 1.073 20 5 EDBDLO Cc1ccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1[N+](=O)[O-] ZINC000865787463 596682892 /nfs/dbraw/zinc/68/28/92/596682892.db2.gz NJVDPCJHLGRYIZ-CQSZACIVSA-N 1 2 331.376 1.821 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CCN(C)c3[nH+]cccc3C2)c1[N+](=O)[O-] ZINC000872300348 596873371 /nfs/dbraw/zinc/87/33/71/596873371.db2.gz AXBZRCDVPMVVNF-UHFFFAOYSA-N 1 2 330.348 1.124 20 5 EDBDLO Cc1nn(C[N@@H+]2CCO[C@H](C(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000872679177 597029038 /nfs/dbraw/zinc/02/90/38/597029038.db2.gz KCLNPOBHCCCUIH-LBPRGKRZSA-N 1 2 341.318 1.961 20 5 EDBDLO Cc1nn(C[N@H+]2CCO[C@H](C(F)F)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000872679177 597029040 /nfs/dbraw/zinc/02/90/40/597029040.db2.gz KCLNPOBHCCCUIH-LBPRGKRZSA-N 1 2 341.318 1.961 20 5 EDBDLO Cc1cc(F)cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000131148782 597675267 /nfs/dbraw/zinc/67/52/67/597675267.db2.gz HJGBHFZCYMXTCH-VXGBXAGGSA-N 1 2 339.367 1.881 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879929012 597769128 /nfs/dbraw/zinc/76/91/28/597769128.db2.gz FNVDZJHVRKQXKF-OLZOCXBDSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879929012 597769133 /nfs/dbraw/zinc/76/91/33/597769133.db2.gz FNVDZJHVRKQXKF-OLZOCXBDSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1ccc(F)cc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000881225253 598101024 /nfs/dbraw/zinc/10/10/24/598101024.db2.gz BHMFZMZDHSQPGM-UHFFFAOYSA-N 1 2 335.339 1.248 20 5 EDBDLO O=C(NCC1C[NH+](Cc2sccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661903 697436681 /nfs/dbraw/zinc/43/66/81/697436681.db2.gz MNRQWHSFKAUVAZ-MWLCHTKSSA-N 1 2 329.809 1.615 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000068441456 698600380 /nfs/dbraw/zinc/60/03/80/698600380.db2.gz FIFWFGMGZYZTFG-UHFFFAOYSA-N 1 2 340.343 1.684 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001002231513 708736125 /nfs/dbraw/zinc/73/61/25/708736125.db2.gz BCMHWEVEEJHLOM-UHFFFAOYSA-N 1 2 344.375 1.118 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000051823666 214105000 /nfs/dbraw/zinc/10/50/00/214105000.db2.gz NYISYLKEDHOXOQ-LBPRGKRZSA-N 1 2 339.417 1.983 20 5 EDBDLO CC(C)C[N@H+](CC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052536123 214132248 /nfs/dbraw/zinc/13/22/48/214132248.db2.gz ZKNHQZZYIVSZNL-UHFFFAOYSA-N 1 2 333.348 1.588 20 5 EDBDLO CC(C)C[N@@H+](CC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052536123 214132252 /nfs/dbraw/zinc/13/22/52/214132252.db2.gz ZKNHQZZYIVSZNL-UHFFFAOYSA-N 1 2 333.348 1.588 20 5 EDBDLO CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412536056 304016975 /nfs/dbraw/zinc/01/69/75/304016975.db2.gz IKPLYKLAJNZZGW-SWLSCSKDSA-N 1 2 348.359 1.032 20 5 EDBDLO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)[NH+]1CCOCC1 ZINC000104599509 219397837 /nfs/dbraw/zinc/39/78/37/219397837.db2.gz SMSYYRLDDRCUGX-RYUDHWBXSA-N 1 2 346.387 1.915 20 5 EDBDLO NC(=O)[C@@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000563357356 306329760 /nfs/dbraw/zinc/32/97/60/306329760.db2.gz JFFKXZBRVDLLGY-GFCCVEGCSA-N 1 2 344.165 1.091 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000124683016 138328932 /nfs/dbraw/zinc/32/89/32/138328932.db2.gz RANVBZSIPONULI-LLVKDONJSA-N 1 2 343.430 1.600 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000124856898 138330070 /nfs/dbraw/zinc/33/00/70/138330070.db2.gz HIVWHIAFRHKJOZ-UHFFFAOYSA-N 1 2 341.331 1.079 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(C)cc1[N+](=O)[O-] ZINC000564785570 306364525 /nfs/dbraw/zinc/36/45/25/306364525.db2.gz GXHKUGLSXOAVDZ-UHFFFAOYSA-N 1 2 336.373 1.654 20 5 EDBDLO C[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000567438565 306451436 /nfs/dbraw/zinc/45/14/36/306451436.db2.gz JBXBFGFNOWTXPB-UONOGXRCSA-N 1 2 335.404 1.877 20 5 EDBDLO CCn1c[nH+]cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000417795385 251273307 /nfs/dbraw/zinc/27/33/07/251273307.db2.gz QQXFUSHWCGXIFZ-UHFFFAOYSA-N 1 2 343.387 1.769 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCn2cc[nH+]c2)c1C ZINC000153429761 224104011 /nfs/dbraw/zinc/10/40/11/224104011.db2.gz IRZRRKPPWWHYET-UHFFFAOYSA-N 1 2 338.389 1.777 20 5 EDBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000153770024 224155128 /nfs/dbraw/zinc/15/51/28/224155128.db2.gz YLPXZPOQPZLZFD-OAHLLOKOSA-N 1 2 329.360 1.240 20 5 EDBDLO O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493451179 255209244 /nfs/dbraw/zinc/20/92/44/255209244.db2.gz BXLUGKPVHOJIDW-PGLGOXFNSA-N 1 2 328.332 1.439 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495255282 255275960 /nfs/dbraw/zinc/27/59/60/255275960.db2.gz USZNGNWROYHIPL-LLVKDONJSA-N 1 2 348.359 1.496 20 5 EDBDLO Cc1nn(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000494123820 255238254 /nfs/dbraw/zinc/23/82/54/255238254.db2.gz KREWWCPHVWMPNY-CYBMUJFWSA-N 1 2 345.359 1.737 20 5 EDBDLO Cc1nn(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000494123820 255238255 /nfs/dbraw/zinc/23/82/55/255238255.db2.gz KREWWCPHVWMPNY-CYBMUJFWSA-N 1 2 345.359 1.737 20 5 EDBDLO Cc1nn(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000495994278 255338593 /nfs/dbraw/zinc/33/85/93/255338593.db2.gz TUDRJOCKSYMTGN-UHFFFAOYSA-N 1 2 327.385 1.856 20 5 EDBDLO Cc1nn(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000495994278 255338594 /nfs/dbraw/zinc/33/85/94/255338594.db2.gz TUDRJOCKSYMTGN-UHFFFAOYSA-N 1 2 327.385 1.856 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269353184 139920024 /nfs/dbraw/zinc/92/00/24/139920024.db2.gz GVPWBFUTOSUWHN-UHFFFAOYSA-N 1 2 327.772 1.219 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269850807 140006464 /nfs/dbraw/zinc/00/64/64/140006464.db2.gz FTFMMQMRVWPQOO-SNVBAGLBSA-N 1 2 328.332 1.175 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332348249 141166718 /nfs/dbraw/zinc/16/67/18/141166718.db2.gz OXHZNRZCINNVQJ-NWDGAFQWSA-N 1 2 337.376 1.899 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000332348249 141166719 /nfs/dbraw/zinc/16/67/19/141166719.db2.gz OXHZNRZCINNVQJ-NWDGAFQWSA-N 1 2 337.376 1.899 20 5 EDBDLO Cn1cc([C@@H](CO)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000339797900 142160631 /nfs/dbraw/zinc/16/06/31/142160631.db2.gz IHMPIYGFCCVLDO-CQSZACIVSA-N 1 2 334.332 1.018 20 5 EDBDLO COCC1(O)CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000340229960 142313289 /nfs/dbraw/zinc/31/32/89/142313289.db2.gz CCJXHZKGNHSELV-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355381280 150244141 /nfs/dbraw/zinc/24/41/41/150244141.db2.gz OLNKBVUTTCNORX-CHWSQXEVSA-N 1 2 349.387 1.973 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000355381280 150244144 /nfs/dbraw/zinc/24/41/44/150244144.db2.gz OLNKBVUTTCNORX-CHWSQXEVSA-N 1 2 349.387 1.973 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])CCC2 ZINC000357445085 151034724 /nfs/dbraw/zinc/03/47/24/151034724.db2.gz VJIHJPZNBRAGSE-SNVBAGLBSA-N 1 2 330.348 1.583 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)nc2c1 ZINC000361427617 152391739 /nfs/dbraw/zinc/39/17/39/152391739.db2.gz UQEBOKYYJCIPHY-VIFPVBQESA-N 1 2 326.303 1.921 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC(F)(F)[C@H](CO)C3)nc2c1 ZINC000361427617 152391740 /nfs/dbraw/zinc/39/17/40/152391740.db2.gz UQEBOKYYJCIPHY-VIFPVBQESA-N 1 2 326.303 1.921 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000363675770 153026064 /nfs/dbraw/zinc/02/60/64/153026064.db2.gz JKUJCQVBSSWHEK-UHFFFAOYSA-N 1 2 343.387 1.676 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000363675770 153026065 /nfs/dbraw/zinc/02/60/65/153026065.db2.gz JKUJCQVBSSWHEK-UHFFFAOYSA-N 1 2 343.387 1.676 20 5 EDBDLO CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363879763 153083814 /nfs/dbraw/zinc/08/38/14/153083814.db2.gz PGBFWPWAZGBIMC-YYIAUSFCSA-N 1 2 347.415 1.447 20 5 EDBDLO CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363879763 153083815 /nfs/dbraw/zinc/08/38/15/153083815.db2.gz PGBFWPWAZGBIMC-YYIAUSFCSA-N 1 2 347.415 1.447 20 5 EDBDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC000363906920 153093010 /nfs/dbraw/zinc/09/30/10/153093010.db2.gz JZEAMZHQRTXWIW-GFCCVEGCSA-N 1 2 349.322 1.559 20 5 EDBDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nn1 ZINC000363906920 153093013 /nfs/dbraw/zinc/09/30/13/153093013.db2.gz JZEAMZHQRTXWIW-GFCCVEGCSA-N 1 2 349.322 1.559 20 5 EDBDLO COC(=O)c1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000364049680 153132275 /nfs/dbraw/zinc/13/22/75/153132275.db2.gz XJADPNNODNQSKG-JTQLQIEISA-N 1 2 329.259 1.317 20 5 EDBDLO COC(=O)c1cnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000364215857 153176930 /nfs/dbraw/zinc/17/69/30/153176930.db2.gz RDKMIYUJZDMOLF-GFCCVEGCSA-N 1 2 336.348 1.052 20 5 EDBDLO COC(=O)c1cnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000364215857 153176933 /nfs/dbraw/zinc/17/69/33/153176933.db2.gz RDKMIYUJZDMOLF-GFCCVEGCSA-N 1 2 336.348 1.052 20 5 EDBDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000364273647 153193211 /nfs/dbraw/zinc/19/32/11/153193211.db2.gz QEJBXHYTSGFDNK-RYUDHWBXSA-N 1 2 332.364 1.993 20 5 EDBDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000364273647 153193214 /nfs/dbraw/zinc/19/32/14/153193214.db2.gz QEJBXHYTSGFDNK-RYUDHWBXSA-N 1 2 332.364 1.993 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366070410 153706346 /nfs/dbraw/zinc/70/63/46/153706346.db2.gz AVJSTQNHNBSJBM-ZDUSSCGKSA-N 1 2 335.360 1.150 20 5 EDBDLO CN(CC(=O)NC[C@H]1CCn2cc[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000369527320 155072531 /nfs/dbraw/zinc/07/25/31/155072531.db2.gz KKHUILOLIALKAO-ZDUSSCGKSA-N 1 2 343.387 1.606 20 5 EDBDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372353090 156348495 /nfs/dbraw/zinc/34/84/95/156348495.db2.gz CDDZDQUMILDGFY-ZDUSSCGKSA-N 1 2 344.437 1.642 20 5 EDBDLO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372353090 156348497 /nfs/dbraw/zinc/34/84/97/156348497.db2.gz CDDZDQUMILDGFY-ZDUSSCGKSA-N 1 2 344.437 1.642 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000374317687 157240343 /nfs/dbraw/zinc/24/03/43/157240343.db2.gz UICIXFSYJPOMKR-ZDUSSCGKSA-N 1 2 347.350 1.806 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000374317687 157240345 /nfs/dbraw/zinc/24/03/45/157240345.db2.gz UICIXFSYJPOMKR-ZDUSSCGKSA-N 1 2 347.350 1.806 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374382896 157270060 /nfs/dbraw/zinc/27/00/60/157270060.db2.gz CBYLWEMOHWPWAK-OAHLLOKOSA-N 1 2 342.355 1.785 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000119698307 287354848 /nfs/dbraw/zinc/35/48/48/287354848.db2.gz WQXYHOQNTQEOAD-UHFFFAOYSA-N 1 2 331.332 1.234 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000171609563 227170515 /nfs/dbraw/zinc/17/05/15/227170515.db2.gz CLGNCBMATSENHL-QWHCGFSZSA-N 1 2 336.392 1.503 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172588516 227782685 /nfs/dbraw/zinc/78/26/85/227782685.db2.gz MJVOPMNFMPJMNV-JTQLQIEISA-N 1 2 325.390 1.979 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172588516 227782690 /nfs/dbraw/zinc/78/26/90/227782690.db2.gz MJVOPMNFMPJMNV-JTQLQIEISA-N 1 2 325.390 1.979 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000274271979 268119548 /nfs/dbraw/zinc/11/95/48/268119548.db2.gz AZKGKZHBIHIJCB-OLZOCXBDSA-N 1 2 340.376 1.454 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCOC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000274271979 268119549 /nfs/dbraw/zinc/11/95/49/268119549.db2.gz AZKGKZHBIHIJCB-OLZOCXBDSA-N 1 2 340.376 1.454 20 5 EDBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000275653369 273116319 /nfs/dbraw/zinc/11/63/19/273116319.db2.gz QICZIIUUWBAZOI-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000275653369 273116320 /nfs/dbraw/zinc/11/63/20/273116320.db2.gz QICZIIUUWBAZOI-LLVKDONJSA-N 1 2 337.376 1.218 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043892882 272910806 /nfs/dbraw/zinc/91/08/06/272910806.db2.gz ABBPUFDYDHXVRT-LBPRGKRZSA-N 1 2 332.364 1.591 20 5 EDBDLO C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000277025767 273177699 /nfs/dbraw/zinc/17/76/99/273177699.db2.gz DSRQCEUBUXIJTM-MRVPVSSYSA-N 1 2 330.270 1.994 20 5 EDBDLO C[C@]1(O)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280000025 273338895 /nfs/dbraw/zinc/33/88/95/273338895.db2.gz JGXTUCOPXILBAF-HNNXBMFYSA-N 1 2 342.417 1.605 20 5 EDBDLO C[C@]1(O)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280000025 273338896 /nfs/dbraw/zinc/33/88/96/273338896.db2.gz JGXTUCOPXILBAF-HNNXBMFYSA-N 1 2 342.417 1.605 20 5 EDBDLO Cc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000280405809 273359062 /nfs/dbraw/zinc/35/90/62/273359062.db2.gz ALOSGFWZBFXVMR-ZDUSSCGKSA-N 1 2 337.376 1.119 20 5 EDBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000281870502 273544960 /nfs/dbraw/zinc/54/49/60/273544960.db2.gz RKHGKFALHPTSBI-ZDUSSCGKSA-N 1 2 332.364 1.762 20 5 EDBDLO COC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000284129292 274090032 /nfs/dbraw/zinc/09/00/32/274090032.db2.gz ODLPGGACDSOKOO-UHFFFAOYSA-N 1 2 339.304 1.003 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284476387 274215971 /nfs/dbraw/zinc/21/59/71/274215971.db2.gz MCRFUXMKTYVDLY-JKSUJKDBSA-N 1 2 349.387 1.539 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284476387 274215972 /nfs/dbraw/zinc/21/59/72/274215972.db2.gz MCRFUXMKTYVDLY-JKSUJKDBSA-N 1 2 349.387 1.539 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285964467 287902389 /nfs/dbraw/zinc/90/23/89/287902389.db2.gz WDQZPLLSYTYCHT-WCQYABFASA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)n1 ZINC000371976878 278864463 /nfs/dbraw/zinc/86/44/63/278864463.db2.gz AFZFYHFKFXFGBZ-CQSZACIVSA-N 1 2 333.392 1.089 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000159797335 279319183 /nfs/dbraw/zinc/31/91/83/279319183.db2.gz QYXKXMCOTXLVBF-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287251398 288192221 /nfs/dbraw/zinc/19/22/21/288192221.db2.gz JVSFWPFHROWQED-KBPBESRZSA-N 1 2 333.388 1.838 20 5 EDBDLO 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O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)o1 ZINC000295385498 303212108 /nfs/dbraw/zinc/21/21/08/303212108.db2.gz QKCNJSYUBUEOAV-AAEUAGOBSA-N 1 2 334.332 1.184 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000295597986 303239818 /nfs/dbraw/zinc/23/98/18/303239818.db2.gz IJKHJZHNBIHWTM-AWEZNQCLSA-N 1 2 343.343 1.621 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3c(nnc3C3CCCC3)C2)n1 ZINC000428845757 305019109 /nfs/dbraw/zinc/01/91/09/305019109.db2.gz MXENWORJCPHPRY-UHFFFAOYSA-N 1 2 331.380 1.556 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3c(nnc3C3CCCC3)C2)n1 ZINC000428845757 305019110 /nfs/dbraw/zinc/01/91/10/305019110.db2.gz MXENWORJCPHPRY-UHFFFAOYSA-N 1 2 331.380 1.556 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C(N)=O ZINC000451133737 305332159 /nfs/dbraw/zinc/33/21/59/305332159.db2.gz DKEJLHHBZOGHSF-UHFFFAOYSA-N 1 2 328.756 1.382 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C(N)=O ZINC000451133737 305332160 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EDBDLO O=C(C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000053430272 441522055 /nfs/dbraw/zinc/52/20/55/441522055.db2.gz LOJTXOGNIJGMPL-UHFFFAOYSA-N 1 2 346.431 1.725 20 5 EDBDLO O=C(CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000053430272 441522057 /nfs/dbraw/zinc/52/20/57/441522057.db2.gz LOJTXOGNIJGMPL-UHFFFAOYSA-N 1 2 346.431 1.725 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000089397574 441545346 /nfs/dbraw/zinc/54/53/46/441545346.db2.gz IALKFLXZOYOMBP-IAQYHMDHSA-N 1 2 330.344 1.623 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000032534350 441559444 /nfs/dbraw/zinc/55/94/44/441559444.db2.gz VUUSENFWKINFNY-UHFFFAOYSA-N 1 2 343.387 1.353 20 5 EDBDLO O=C(NCCNC(=O)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032477897 441558277 /nfs/dbraw/zinc/55/82/77/441558277.db2.gz GAKUAHDITUAOFF-UHFFFAOYSA-N 1 2 343.343 1.037 20 5 EDBDLO Cc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000041869928 441681057 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337.376 1.777 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000162316390 442083826 /nfs/dbraw/zinc/08/38/26/442083826.db2.gz OZIGDTMAXBULEF-AAEUAGOBSA-N 1 2 337.376 1.777 20 5 EDBDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000127378243 442197563 /nfs/dbraw/zinc/19/75/63/442197563.db2.gz WQPYNWLPOXXKGG-GFCCVEGCSA-N 1 2 339.417 1.987 20 5 EDBDLO CN(Cc1nc[nH]n1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172620908 442507153 /nfs/dbraw/zinc/50/71/53/442507153.db2.gz SXDQQAROLQPRMC-UHFFFAOYSA-N 1 2 327.304 1.171 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186417225 442530331 /nfs/dbraw/zinc/53/03/31/442530331.db2.gz HRJXFTAYCOGGKC-UHFFFAOYSA-N 1 2 344.375 1.234 20 5 EDBDLO CC(C)C(=O)NCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000157436265 442583568 /nfs/dbraw/zinc/58/35/68/442583568.db2.gz OOKGCIBQNZKXPO-UHFFFAOYSA-N 1 2 347.375 1.849 20 5 EDBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000157436265 442583573 /nfs/dbraw/zinc/58/35/73/442583573.db2.gz OOKGCIBQNZKXPO-UHFFFAOYSA-N 1 2 347.375 1.849 20 5 EDBDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107573 442594069 /nfs/dbraw/zinc/59/40/69/442594069.db2.gz HRNFWWFSSNOKIB-MNOVXSKESA-N 1 2 344.379 1.559 20 5 EDBDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107573 442594073 /nfs/dbraw/zinc/59/40/73/442594073.db2.gz HRNFWWFSSNOKIB-MNOVXSKESA-N 1 2 344.379 1.559 20 5 EDBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000135986211 442644917 /nfs/dbraw/zinc/64/49/17/442644917.db2.gz DUORMXPBLJFZMC-UHFFFAOYSA-N 1 2 336.373 1.612 20 5 EDBDLO C/C=C/C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187139733 442655357 /nfs/dbraw/zinc/65/53/57/442655357.db2.gz CEAHZPLGQHXJOM-YWVDXFKGSA-N 1 2 330.344 1.837 20 5 EDBDLO CC1CCN(c2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000136348270 442660385 /nfs/dbraw/zinc/66/03/85/442660385.db2.gz 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COc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000289501185 444160182 /nfs/dbraw/zinc/16/01/82/444160182.db2.gz JXWJQBZJJVIAGD-UHFFFAOYSA-N 1 2 338.345 1.004 20 5 EDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285964469 444164135 /nfs/dbraw/zinc/16/41/35/444164135.db2.gz WDQZPLLSYTYCHT-YPMHNXCESA-N 1 2 337.351 1.669 20 5 EDBDLO Cc1cc(NC[C@@]2(O)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301880828 444195254 /nfs/dbraw/zinc/19/52/54/444195254.db2.gz ZVCSHXKPAGZPNF-INIZCTEOSA-N 1 2 330.344 1.924 20 5 EDBDLO Cc1nn(C)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000332190454 444504284 /nfs/dbraw/zinc/50/42/84/444504284.db2.gz XRIDJLRTYIYWHR-UHFFFAOYSA-N 1 2 344.375 1.431 20 5 EDBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC(=O)N(C)C1=O ZINC000338326566 444634824 /nfs/dbraw/zinc/63/48/24/444634824.db2.gz LIDHSWSLBXHAJB-ZDUSSCGKSA-N 1 2 335.360 1.573 20 5 EDBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC(=O)N(C)C1=O ZINC000338326566 444634828 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EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366393087 446189501 /nfs/dbraw/zinc/18/95/01/446189501.db2.gz CGXZHNWPYKDWGW-YJQGPUDQSA-N 1 2 339.779 1.745 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366393087 446189504 /nfs/dbraw/zinc/18/95/04/446189504.db2.gz CGXZHNWPYKDWGW-YJQGPUDQSA-N 1 2 339.779 1.745 20 5 EDBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354371522 446155236 /nfs/dbraw/zinc/15/52/36/446155236.db2.gz IBYZCRGIHJEFHZ-UHFFFAOYSA-N 1 2 345.359 1.041 20 5 EDBDLO Cc1nn(CCC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1[N+](=O)[O-] ZINC000370341788 446236935 /nfs/dbraw/zinc/23/69/35/446236935.db2.gz HXVYNPBMVYPLTR-NSHDSACASA-N 1 2 332.364 1.195 20 5 EDBDLO Cc1nn(CCC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C)c1[N+](=O)[O-] ZINC000370341788 446236937 /nfs/dbraw/zinc/23/69/37/446236937.db2.gz HXVYNPBMVYPLTR-NSHDSACASA-N 1 2 332.364 1.195 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000362155108 446240463 /nfs/dbraw/zinc/24/04/63/446240463.db2.gz LIZORJJUQRIBQO-NSHDSACASA-N 1 2 336.373 1.647 20 5 EDBDLO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)C[C@@H]1[NH+]1CCOCC1 ZINC000359577197 446300952 /nfs/dbraw/zinc/30/09/52/446300952.db2.gz AHKHHQOIAJUSNK-KBPBESRZSA-N 1 2 337.424 1.667 20 5 EDBDLO COC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000365689469 446302564 /nfs/dbraw/zinc/30/25/64/446302564.db2.gz VSRAAQVFVBIECL-CYBMUJFWSA-N 1 2 326.349 1.329 20 5 EDBDLO COC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000365689469 446302567 /nfs/dbraw/zinc/30/25/67/446302567.db2.gz VSRAAQVFVBIECL-CYBMUJFWSA-N 1 2 326.349 1.329 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000366763402 446339009 /nfs/dbraw/zinc/33/90/09/446339009.db2.gz ZSQZRYYEWBWPRK-HNNXBMFYSA-N 1 2 345.403 1.826 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000366763402 446339014 /nfs/dbraw/zinc/33/90/14/446339014.db2.gz ZSQZRYYEWBWPRK-HNNXBMFYSA-N 1 2 345.403 1.826 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374919506 446459006 /nfs/dbraw/zinc/45/90/06/446459006.db2.gz YCRSIYHOQGQADN-CQSZACIVSA-N 1 2 349.778 1.618 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367899091 446606141 /nfs/dbraw/zinc/60/61/41/446606141.db2.gz GMPHIRHRGQDRCU-NSHDSACASA-N 1 2 349.359 1.385 20 5 EDBDLO CC(C)n1ncnc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000434476508 446648376 /nfs/dbraw/zinc/64/83/76/446648376.db2.gz JIKRENLMAOIWMV-LBPRGKRZSA-N 1 2 331.380 1.849 20 5 EDBDLO CC(C)n1ncnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000434476508 446648379 /nfs/dbraw/zinc/64/83/79/446648379.db2.gz JIKRENLMAOIWMV-LBPRGKRZSA-N 1 2 331.380 1.849 20 5 EDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420449348 446625924 /nfs/dbraw/zinc/62/59/24/446625924.db2.gz XIOVZUTWJFPYEC-ZDUSSCGKSA-N 1 2 331.369 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C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000371492868 446889766 /nfs/dbraw/zinc/88/97/66/446889766.db2.gz JYEFLYJHTAOWQJ-VHSXEESVSA-N 1 2 331.419 1.371 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000412343301 446942691 /nfs/dbraw/zinc/94/26/91/446942691.db2.gz PKTGQMGHSDLENZ-VVLHAWIVSA-N 1 2 345.399 1.630 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000412343301 446942696 /nfs/dbraw/zinc/94/26/96/446942696.db2.gz PKTGQMGHSDLENZ-VVLHAWIVSA-N 1 2 345.399 1.630 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CC2 ZINC000371743724 446956071 /nfs/dbraw/zinc/95/60/71/446956071.db2.gz LORMJDXJXHKJIK-UHFFFAOYSA-N 1 2 345.315 1.972 20 5 EDBDLO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000377390723 447105918 /nfs/dbraw/zinc/10/59/18/447105918.db2.gz IFFOIQXNSYMUIU-CYBMUJFWSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1c(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000377390723 447105926 /nfs/dbraw/zinc/10/59/26/447105926.db2.gz IFFOIQXNSYMUIU-CYBMUJFWSA-N 1 2 334.376 1.888 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413250392 447093204 /nfs/dbraw/zinc/09/32/04/447093204.db2.gz RIPOBSQAPNTCRQ-SNVBAGLBSA-N 1 2 347.354 1.212 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413250392 447093212 /nfs/dbraw/zinc/09/32/12/447093212.db2.gz RIPOBSQAPNTCRQ-SNVBAGLBSA-N 1 2 347.354 1.212 20 5 EDBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377493659 447162690 /nfs/dbraw/zinc/16/26/90/447162690.db2.gz KAOWULISXATWDJ-LNSITVRQSA-N 1 2 346.387 1.652 20 5 EDBDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377493659 447162696 /nfs/dbraw/zinc/16/26/96/447162696.db2.gz KAOWULISXATWDJ-LNSITVRQSA-N 1 2 346.387 1.652 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503600 447197135 /nfs/dbraw/zinc/19/71/35/447197135.db2.gz SOZJUXYTGPEZJB-AWEZNQCLSA-N 1 2 344.375 1.770 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503600 447197140 /nfs/dbraw/zinc/19/71/40/447197140.db2.gz SOZJUXYTGPEZJB-AWEZNQCLSA-N 1 2 344.375 1.770 20 5 EDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)NC ZINC000457059127 447507523 /nfs/dbraw/zinc/50/75/23/447507523.db2.gz SGAZZRJCLSOUQA-LLVKDONJSA-N 1 2 331.332 1.035 20 5 EDBDLO COc1cc[nH+]cc1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000431406772 447802790 /nfs/dbraw/zinc/80/27/90/447802790.db2.gz VZVISDBSGSBMEI-UHFFFAOYSA-N 1 2 338.345 1.258 20 5 EDBDLO COc1cc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000488568705 447848797 /nfs/dbraw/zinc/84/87/97/447848797.db2.gz BLHGEHCGXVGXEK-HUUCEWRRSA-N 1 2 326.349 1.458 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553833279 448008941 /nfs/dbraw/zinc/00/89/41/448008941.db2.gz QKELLLQETSTBEV-BBRMVZONSA-N 1 2 348.403 1.599 20 5 EDBDLO C[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576501138 448069614 /nfs/dbraw/zinc/06/96/14/448069614.db2.gz XYQKKOFOEGWOCB-CYBMUJFWSA-N 1 2 343.387 1.766 20 5 EDBDLO O=C1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCN1 ZINC000591195914 448285457 /nfs/dbraw/zinc/28/54/57/448285457.db2.gz NTUFPVJGLHEJKK-AWEZNQCLSA-N 1 2 348.403 1.508 20 5 EDBDLO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC12CCOCC2 ZINC000578191826 448481037 /nfs/dbraw/zinc/48/10/37/448481037.db2.gz JVWVSTNMIYNOAE-GFCCVEGCSA-N 1 2 335.360 1.128 20 5 EDBDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000592127522 448698312 /nfs/dbraw/zinc/69/83/12/448698312.db2.gz HSJXORHHSKJZGH-VXGBXAGGSA-N 1 2 335.360 1.583 20 5 EDBDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000592127522 448698317 /nfs/dbraw/zinc/69/83/17/448698317.db2.gz HSJXORHHSKJZGH-VXGBXAGGSA-N 1 2 335.360 1.583 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000568509234 448883111 /nfs/dbraw/zinc/88/31/11/448883111.db2.gz CYFSLBCLEBZPMT-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000568509234 448883116 /nfs/dbraw/zinc/88/31/16/448883116.db2.gz CYFSLBCLEBZPMT-NSHDSACASA-N 1 2 334.332 1.132 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548712561 449087272 /nfs/dbraw/zinc/08/72/72/449087272.db2.gz POZKXXBUFZIHMT-UHFFFAOYSA-N 1 2 340.343 1.660 20 5 EDBDLO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000595764138 449154917 /nfs/dbraw/zinc/15/49/17/449154917.db2.gz WOGRXAMEINWIQH-GFCCVEGCSA-N 1 2 327.406 1.103 20 5 EDBDLO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000595764138 449154919 /nfs/dbraw/zinc/15/49/19/449154919.db2.gz WOGRXAMEINWIQH-GFCCVEGCSA-N 1 2 327.406 1.103 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000611083532 449162024 /nfs/dbraw/zinc/16/20/24/449162024.db2.gz DGXKBXSXNTZXMN-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000611083532 449162028 /nfs/dbraw/zinc/16/20/28/449162028.db2.gz DGXKBXSXNTZXMN-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597997539 449182989 /nfs/dbraw/zinc/18/29/89/449182989.db2.gz MSJNAUNWYCCAGK-OLZOCXBDSA-N 1 2 335.404 1.996 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597997539 449182993 /nfs/dbraw/zinc/18/29/93/449182993.db2.gz MSJNAUNWYCCAGK-OLZOCXBDSA-N 1 2 335.404 1.996 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604525937 449246192 /nfs/dbraw/zinc/24/61/92/449246192.db2.gz OVTGASUCXVLFNC-UHFFFAOYSA-N 1 2 330.300 1.253 20 5 EDBDLO Cc1nc(NCCn2cc([N+](=O)[O-])cn2)c(Br)c(C)[nH+]1 ZINC000596166965 449393176 /nfs/dbraw/zinc/39/31/76/449393176.db2.gz ZQEDCBQBQASPQX-UHFFFAOYSA-N 1 2 341.169 2.073 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC000611892872 449460609 /nfs/dbraw/zinc/46/06/09/449460609.db2.gz AAYBNMJLKZGHEP-UHFFFAOYSA-N 1 2 330.300 1.484 20 5 EDBDLO COC(=O)c1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000598594279 449481489 /nfs/dbraw/zinc/48/14/89/449481489.db2.gz GGZCPXUASLIRSS-LLVKDONJSA-N 1 2 331.332 1.814 20 5 EDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])o1 ZINC000600682502 449489041 /nfs/dbraw/zinc/48/90/41/449489041.db2.gz NHIQGKZDWHIYFS-ZDUSSCGKSA-N 1 2 346.343 1.214 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])o1 ZINC000600682502 449489050 /nfs/dbraw/zinc/48/90/50/449489050.db2.gz NHIQGKZDWHIYFS-ZDUSSCGKSA-N 1 2 346.343 1.214 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H]2COC[C@H]2C1 ZINC000596528146 449542385 /nfs/dbraw/zinc/54/23/85/449542385.db2.gz LYZZOWJRZFNYER-HZPDHXFCSA-N 1 2 347.415 1.900 20 5 EDBDLO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000596553295 449549435 /nfs/dbraw/zinc/54/94/35/449549435.db2.gz YNVRGLBXFHTKMD-CQSZACIVSA-N 1 2 347.444 2.279 20 5 EDBDLO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000596553295 449549443 /nfs/dbraw/zinc/54/94/43/449549443.db2.gz YNVRGLBXFHTKMD-CQSZACIVSA-N 1 2 347.444 2.279 20 5 EDBDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000596553295 449549450 /nfs/dbraw/zinc/54/94/50/449549450.db2.gz YNVRGLBXFHTKMD-CQSZACIVSA-N 1 2 347.444 2.279 20 5 EDBDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000596553295 449549454 /nfs/dbraw/zinc/54/94/54/449549454.db2.gz YNVRGLBXFHTKMD-CQSZACIVSA-N 1 2 347.444 2.279 20 5 EDBDLO COC(=O)c1ccnc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000598634803 449509920 /nfs/dbraw/zinc/50/99/20/449509920.db2.gz SQRRBWWMLCFDSX-MNOVXSKESA-N 1 2 338.364 1.298 20 5 EDBDLO COC(=O)c1ccnc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000598634803 449509923 /nfs/dbraw/zinc/50/99/23/449509923.db2.gz SQRRBWWMLCFDSX-MNOVXSKESA-N 1 2 338.364 1.298 20 5 EDBDLO CC(C)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000600942555 449604462 /nfs/dbraw/zinc/60/44/62/449604462.db2.gz DRQUCYDDDHQZNE-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO CN(CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1[N+](=O)[O-] ZINC000598945882 449664088 /nfs/dbraw/zinc/66/40/88/449664088.db2.gz DCDNJIUVGPNTQJ-GFCCVEGCSA-N 1 2 329.360 1.359 20 5 EDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598951240 449667240 /nfs/dbraw/zinc/66/72/40/449667240.db2.gz ZQUQIJHYPPPQEB-CYBMUJFWSA-N 1 2 342.355 1.885 20 5 EDBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594765737 449679248 /nfs/dbraw/zinc/67/92/48/449679248.db2.gz ONFIGUFJYUKTKY-CYBMUJFWSA-N 1 2 348.384 1.455 20 5 EDBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594765737 449679254 /nfs/dbraw/zinc/67/92/54/449679254.db2.gz 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349.309 1.719 20 5 EDBDLO COC[C@@H]1CC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083146 593142486 /nfs/dbraw/zinc/14/24/86/593142486.db2.gz MZEWKSZYIUMXLJ-XJKSGUPXSA-N 1 2 348.359 1.040 20 5 EDBDLO COC[C@@H]1CC[N@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083146 593142488 /nfs/dbraw/zinc/14/24/88/593142488.db2.gz MZEWKSZYIUMXLJ-XJKSGUPXSA-N 1 2 348.359 1.040 20 5 EDBDLO CCOC(=O)c1cnn(C2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)c1 ZINC000840109825 593191101 /nfs/dbraw/zinc/19/11/01/593191101.db2.gz PJMZLSAYIZBCFE-UHFFFAOYSA-N 1 2 348.363 1.459 20 5 EDBDLO C[C@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CNC(=O)C1 ZINC000802193152 593231051 /nfs/dbraw/zinc/23/10/51/593231051.db2.gz OCSIXJHPANRBGE-MRXNPFEDSA-N 1 2 344.327 1.464 20 5 EDBDLO C[C@@H]1CN(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C(=O)[C@H]1C ZINC000839963241 593244397 /nfs/dbraw/zinc/24/43/97/593244397.db2.gz FONWDJOEFHFKSM-KGLIPLIRSA-N 1 2 332.404 1.789 20 5 EDBDLO CO[C@@H]1CCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988358 593298698 /nfs/dbraw/zinc/29/86/98/593298698.db2.gz NNJHTAAPGZIYQA-GDBMZVCRSA-N 1 2 335.360 1.600 20 5 EDBDLO CO[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988358 593298701 /nfs/dbraw/zinc/29/87/01/593298701.db2.gz NNJHTAAPGZIYQA-GDBMZVCRSA-N 1 2 335.360 1.600 20 5 EDBDLO CN(C)C(=O)C1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839633700 593356226 /nfs/dbraw/zinc/35/62/26/593356226.db2.gz QKZANLKXSUVHOL-UHFFFAOYSA-N 1 2 340.767 1.397 20 5 EDBDLO O=C(NC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811784625 593481706 /nfs/dbraw/zinc/48/17/06/593481706.db2.gz DJYPFPGVOWHJNV-SECBINFHSA-N 1 2 335.286 1.139 20 5 EDBDLO O=C(NC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811784625 593481707 /nfs/dbraw/zinc/48/17/07/593481707.db2.gz DJYPFPGVOWHJNV-SECBINFHSA-N 1 2 335.286 1.139 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC000818964939 593730694 /nfs/dbraw/zinc/73/06/94/593730694.db2.gz AMAGEJVHPRRYQJ-LLVKDONJSA-N 1 2 334.332 1.385 20 5 EDBDLO CCOCc1nc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000819324196 593750854 /nfs/dbraw/zinc/75/08/54/593750854.db2.gz VRWRZJKEIZUWOM-GWCFXTLKSA-N 1 2 336.348 1.899 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822710365 594089669 /nfs/dbraw/zinc/08/96/69/594089669.db2.gz NGLZGGJYXGDZJJ-HZPDHXFCSA-N 1 2 347.415 1.925 20 5 EDBDLO COC(=O)Cc1ccc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000827926172 594304492 /nfs/dbraw/zinc/30/44/92/594304492.db2.gz ZDTBAXIDOLZXLJ-UHFFFAOYSA-N 1 2 330.344 1.924 20 5 EDBDLO O=C(C[N@H+]1CC[C@](O)(C(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831174970 594575292 /nfs/dbraw/zinc/57/52/92/594575292.db2.gz BNNQKTGMIOKPLI-CYBMUJFWSA-N 1 2 349.721 1.889 20 5 EDBDLO O=C(C[N@@H+]1CC[C@](O)(C(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831174970 594575294 /nfs/dbraw/zinc/57/52/94/594575294.db2.gz BNNQKTGMIOKPLI-CYBMUJFWSA-N 1 2 349.721 1.889 20 5 EDBDLO COc1cc(CO[NH+]=C(N)COC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000842658028 595161578 /nfs/dbraw/zinc/16/15/78/595161578.db2.gz VWOWBHLHJMUHTQ-LBPRGKRZSA-N 1 2 339.348 1.797 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)COC[C@H]1CCOC1 ZINC000842662524 595164082 /nfs/dbraw/zinc/16/40/82/595164082.db2.gz TWCYLWGRLFNATE-NSHDSACASA-N 1 2 339.348 1.655 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1F ZINC000857648428 595567686 /nfs/dbraw/zinc/56/76/86/595567686.db2.gz UXUPZGQUFOODLR-LBPRGKRZSA-N 1 2 337.351 1.589 20 5 EDBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000111170705 595709944 /nfs/dbraw/zinc/70/99/44/595709944.db2.gz WJFUKQXXONUFIU-HNNXBMFYSA-N 1 2 343.387 1.989 20 5 EDBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000111170705 595709945 /nfs/dbraw/zinc/70/99/45/595709945.db2.gz WJFUKQXXONUFIU-HNNXBMFYSA-N 1 2 343.387 1.989 20 5 EDBDLO C[N@H+](C[C@@H]1COCCO1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853559184 595803490 /nfs/dbraw/zinc/80/34/90/595803490.db2.gz XNGPDKRFNBKOMD-HZPDHXFCSA-N 1 2 349.387 1.215 20 5 EDBDLO C[N@@H+](C[C@@H]1COCCO1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853559184 595803493 /nfs/dbraw/zinc/80/34/93/595803493.db2.gz XNGPDKRFNBKOMD-HZPDHXFCSA-N 1 2 349.387 1.215 20 5 EDBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCC2(COC2)C1 ZINC000853597944 595823486 /nfs/dbraw/zinc/82/34/86/595823486.db2.gz LKWKNUFCDILHPF-OAHLLOKOSA-N 1 2 333.344 1.212 20 5 EDBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CCC2(COC2)C1 ZINC000853597944 595823489 /nfs/dbraw/zinc/82/34/89/595823489.db2.gz LKWKNUFCDILHPF-OAHLLOKOSA-N 1 2 333.344 1.212 20 5 EDBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854595407 596131182 /nfs/dbraw/zinc/13/11/82/596131182.db2.gz YTWRNJAKSDFVFX-SECBINFHSA-N 1 2 348.315 1.395 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c([N+](=O)[O-])s1 ZINC000866763763 596328693 /nfs/dbraw/zinc/32/86/93/596328693.db2.gz HSOJFQCQOTYEPD-SSDOTTSWSA-N 1 2 341.361 1.192 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000867712324 596509981 /nfs/dbraw/zinc/50/99/81/596509981.db2.gz ZCKHRVVLAQFBIO-GFCCVEGCSA-N 1 2 345.396 1.615 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000867712324 596509984 /nfs/dbraw/zinc/50/99/84/596509984.db2.gz ZCKHRVVLAQFBIO-GFCCVEGCSA-N 1 2 345.396 1.615 20 5 EDBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863295863 596541584 /nfs/dbraw/zinc/54/15/84/596541584.db2.gz CMNSTCXPDMSIAF-OAHLLOKOSA-N 1 2 334.332 1.166 20 5 EDBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000863295863 596541586 /nfs/dbraw/zinc/54/15/86/596541586.db2.gz CMNSTCXPDMSIAF-OAHLLOKOSA-N 1 2 334.332 1.166 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123628406 596583405 /nfs/dbraw/zinc/58/34/05/596583405.db2.gz LOEDYAOJAVOYMN-UHFFFAOYSA-N 1 2 330.406 1.858 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123628406 596583409 /nfs/dbraw/zinc/58/34/09/596583409.db2.gz LOEDYAOJAVOYMN-UHFFFAOYSA-N 1 2 330.406 1.858 20 5 EDBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1csnn1 ZINC001031881765 700517106 /nfs/dbraw/zinc/51/71/06/700517106.db2.gz YPAWGQYYVJJNAG-UHFFFAOYSA-N 1 2 333.373 1.308 20 5 EDBDLO O=C(NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001000466816 708028711 /nfs/dbraw/zinc/02/87/11/708028711.db2.gz FEFSMDINESIQAC-UHFFFAOYSA-N 1 2 347.400 1.942 20 5 EDBDLO O=C(NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001000466816 708028713 /nfs/dbraw/zinc/02/87/13/708028713.db2.gz FEFSMDINESIQAC-UHFFFAOYSA-N 1 2 347.400 1.942 20 5 EDBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1cn[nH]c1 ZINC001002388860 708900225 /nfs/dbraw/zinc/90/02/25/708900225.db2.gz NXJLLQRQMYQYDI-UHFFFAOYSA-N 1 2 335.389 1.774 20 5 EDBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1cncnc1 ZINC001002652255 709228616 /nfs/dbraw/zinc/22/86/16/709228616.db2.gz LWNQUEXAADEZRB-UHFFFAOYSA-N 1 2 347.400 1.841 20 5 EDBDLO O=C(NC1CC[NH+](Cc2ccncc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782770 709388433 /nfs/dbraw/zinc/38/84/33/709388433.db2.gz POLSXCXVPFYZOZ-TZMCWYRMSA-N 1 2 338.795 1.481 20 5 EDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000174490539 231222213 /nfs/dbraw/zinc/22/22/13/231222213.db2.gz UJUOWMFQTPRCNE-OAHLLOKOSA-N 1 2 333.388 1.840 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000174810443 231317237 /nfs/dbraw/zinc/31/72/37/231317237.db2.gz DDDMXJPFRBGLGY-UHFFFAOYSA-N 1 2 345.403 1.488 20 5 EDBDLO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066835487 215085462 /nfs/dbraw/zinc/08/54/62/215085462.db2.gz BADBQKMSERLHLD-NEPJUHHUSA-N 1 2 335.360 1.807 20 5 EDBDLO COC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066835487 215085467 /nfs/dbraw/zinc/08/54/67/215085467.db2.gz BADBQKMSERLHLD-NEPJUHHUSA-N 1 2 335.360 1.807 20 5 EDBDLO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068576201 215320003 /nfs/dbraw/zinc/32/00/03/215320003.db2.gz NOYIXQLUDKHCCR-GFCCVEGCSA-N 1 2 348.403 1.865 20 5 EDBDLO C[C@H](C[S@@](C)=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181634196 234262019 /nfs/dbraw/zinc/26/20/19/234262019.db2.gz VRGCFIKMWIINOM-DJNLSKAYSA-N 1 2 336.373 1.277 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000027539450 138096186 /nfs/dbraw/zinc/09/61/86/138096186.db2.gz WUEGMBNLLQOLSD-LLVKDONJSA-N 1 2 347.375 1.796 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000027539450 138096188 /nfs/dbraw/zinc/09/61/88/138096188.db2.gz WUEGMBNLLQOLSD-LLVKDONJSA-N 1 2 347.375 1.796 20 5 EDBDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000563953758 306353165 /nfs/dbraw/zinc/35/31/65/306353165.db2.gz UAGCPXFGMQPUKX-AWEZNQCLSA-N 1 2 347.419 1.511 20 5 EDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188157 284215191 /nfs/dbraw/zinc/21/51/91/284215191.db2.gz BGOGYOIFJCHQFI-ZLDLUXBVSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188157 284215193 /nfs/dbraw/zinc/21/51/93/284215193.db2.gz BGOGYOIFJCHQFI-ZLDLUXBVSA-N 1 2 347.371 1.467 20 5 EDBDLO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080910025 217339515 /nfs/dbraw/zinc/33/95/15/217339515.db2.gz KZADUISEWGMMLS-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000266007082 248023617 /nfs/dbraw/zinc/02/36/17/248023617.db2.gz AHEPYRGTIROAGI-AAEUAGOBSA-N 1 2 330.344 1.935 20 5 EDBDLO COCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000112353216 220311462 /nfs/dbraw/zinc/31/14/62/220311462.db2.gz JANKQSXMCXPOBW-UHFFFAOYSA-N 1 2 337.376 1.900 20 5 EDBDLO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000112618886 220357251 /nfs/dbraw/zinc/35/72/51/220357251.db2.gz VCEYNGGOBVTFNJ-LBPRGKRZSA-N 1 2 330.406 1.729 20 5 EDBDLO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CS(C)(=O)=O ZINC000112618886 220357254 /nfs/dbraw/zinc/35/72/54/220357254.db2.gz VCEYNGGOBVTFNJ-LBPRGKRZSA-N 1 2 330.406 1.729 20 5 EDBDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490053146 255076861 /nfs/dbraw/zinc/07/68/61/255076861.db2.gz JUMQGFWJZCBIST-CYBMUJFWSA-N 1 2 337.376 1.579 20 5 EDBDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490053146 255076862 /nfs/dbraw/zinc/07/68/62/255076862.db2.gz JUMQGFWJZCBIST-CYBMUJFWSA-N 1 2 337.376 1.579 20 5 EDBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CC1 ZINC000493632137 255217248 /nfs/dbraw/zinc/21/72/48/255217248.db2.gz VHDIXUSKWJXELJ-RQOWECAXSA-N 1 2 349.362 1.728 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117756564 221086615 /nfs/dbraw/zinc/08/66/15/221086615.db2.gz BSTUMYOOCDZMJQ-NSHDSACASA-N 1 2 341.795 1.628 20 5 EDBDLO O=C(C[C@H]1COCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000119326178 221295935 /nfs/dbraw/zinc/29/59/35/221295935.db2.gz UGTWZCQEONZTEP-HNNXBMFYSA-N 1 2 344.371 1.765 20 5 EDBDLO O=C(C[C@H]1COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000119326178 221295937 /nfs/dbraw/zinc/29/59/37/221295937.db2.gz UGTWZCQEONZTEP-HNNXBMFYSA-N 1 2 344.371 1.765 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000345057730 143045118 /nfs/dbraw/zinc/04/51/18/143045118.db2.gz CGRNRWVRKXOCEB-ZDUSSCGKSA-N 1 2 344.371 2.000 20 5 EDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345620937 143113084 /nfs/dbraw/zinc/11/30/84/143113084.db2.gz FXFHGBOCYKASEU-AWEZNQCLSA-N 1 2 337.351 1.671 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353385072 149387697 /nfs/dbraw/zinc/38/76/97/149387697.db2.gz JLNAEQNEUHGGBE-JGGQBBKZSA-N 1 2 328.372 1.944 20 5 EDBDLO COc1cc(CN2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000342117411 286220191 /nfs/dbraw/zinc/22/01/91/286220191.db2.gz KHJTXCAYAXDYLZ-CABCVRRESA-N 1 2 339.367 1.647 20 5 EDBDLO COc1cc(CN2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000342117411 286220193 /nfs/dbraw/zinc/22/01/93/286220193.db2.gz KHJTXCAYAXDYLZ-CABCVRRESA-N 1 2 339.367 1.647 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000342117411 286220194 /nfs/dbraw/zinc/22/01/94/286220194.db2.gz KHJTXCAYAXDYLZ-CABCVRRESA-N 1 2 339.367 1.647 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000342117411 286220195 /nfs/dbraw/zinc/22/01/95/286220195.db2.gz KHJTXCAYAXDYLZ-CABCVRRESA-N 1 2 339.367 1.647 20 5 EDBDLO NC(=O)c1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000357438966 151033223 /nfs/dbraw/zinc/03/32/23/151033223.db2.gz IZZDSDXIKMLXTK-UHFFFAOYSA-N 1 2 338.327 1.887 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000358470138 151387824 /nfs/dbraw/zinc/38/78/24/151387824.db2.gz PGLRLFGRXMSBAG-UHFFFAOYSA-N 1 2 331.376 1.515 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000360526080 152081147 /nfs/dbraw/zinc/08/11/47/152081147.db2.gz RPCQSQVOHCFUHE-NSHDSACASA-N 1 2 338.389 1.714 20 5 EDBDLO CN(CC(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1[N+](=O)[O-] ZINC000364298325 153199951 /nfs/dbraw/zinc/19/99/51/153199951.db2.gz VTWTUHVKCHNRSJ-GFCCVEGCSA-N 1 2 329.360 1.359 20 5 EDBDLO O=C1[C@@H](Nc2ccccc2[N+](=O)[O-])CCCN1CC[NH+]1CCOCC1 ZINC000364688862 153304076 /nfs/dbraw/zinc/30/40/76/153304076.db2.gz ZFGOCMKUOJVZEL-HNNXBMFYSA-N 1 2 348.403 1.330 20 5 EDBDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000369609012 155109846 /nfs/dbraw/zinc/10/98/46/155109846.db2.gz LDTDEMCXHPQZRV-NSHDSACASA-N 1 2 329.360 1.708 20 5 EDBDLO Cc1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000371333671 155891764 /nfs/dbraw/zinc/89/17/64/155891764.db2.gz VRDVZTYBDIJDDP-UHFFFAOYSA-N 1 2 329.360 1.721 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374394347 157274744 /nfs/dbraw/zinc/27/47/44/157274744.db2.gz YFRWSLYQJJJZBB-OAHLLOKOSA-N 1 2 342.355 1.785 20 5 EDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000164274790 226060425 /nfs/dbraw/zinc/06/04/25/226060425.db2.gz UVANVLDNWAEDQB-UHFFFAOYSA-N 1 2 333.369 1.925 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188918403 272960112 /nfs/dbraw/zinc/96/01/12/272960112.db2.gz WSZIALMCCJDCNC-UHFFFAOYSA-N 1 2 339.417 1.721 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000274315385 268123374 /nfs/dbraw/zinc/12/33/74/268123374.db2.gz XLRZUPFBXQVIBN-UHFFFAOYSA-N 1 2 331.332 1.200 20 5 EDBDLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000275269312 268310770 /nfs/dbraw/zinc/31/07/70/268310770.db2.gz JBUHFKRSNQTQCA-TZMCWYRMSA-N 1 2 334.332 1.473 20 5 EDBDLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000275269312 268310772 /nfs/dbraw/zinc/31/07/72/268310772.db2.gz JBUHFKRSNQTQCA-TZMCWYRMSA-N 1 2 334.332 1.473 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000277949920 273237487 /nfs/dbraw/zinc/23/74/87/273237487.db2.gz LJCQHXPFINGULR-GFCCVEGCSA-N 1 2 344.375 1.908 20 5 EDBDLO C[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000278914656 273271051 /nfs/dbraw/zinc/27/10/51/273271051.db2.gz WCJGGSYECTZYGR-LBPRGKRZSA-N 1 2 346.391 1.859 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000279363278 273295834 /nfs/dbraw/zinc/29/58/34/273295834.db2.gz RFMFEUMFVJALAE-SJKOYZFVSA-N 1 2 345.399 1.983 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000279363278 273295835 /nfs/dbraw/zinc/29/58/35/273295835.db2.gz RFMFEUMFVJALAE-SJKOYZFVSA-N 1 2 345.399 1.983 20 5 EDBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279496707 273302603 /nfs/dbraw/zinc/30/26/03/273302603.db2.gz VOPMLZJENXXVPH-GFCCVEGCSA-N 1 2 338.364 1.656 20 5 EDBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279496707 273302605 /nfs/dbraw/zinc/30/26/05/273302605.db2.gz VOPMLZJENXXVPH-GFCCVEGCSA-N 1 2 338.364 1.656 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279496707 273302606 /nfs/dbraw/zinc/30/26/06/273302606.db2.gz VOPMLZJENXXVPH-GFCCVEGCSA-N 1 2 338.364 1.656 20 5 EDBDLO COc1cc(CN(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000279669665 273316192 /nfs/dbraw/zinc/31/61/92/273316192.db2.gz FANLTMDUEUCQLX-GFCCVEGCSA-N 1 2 341.383 1.895 20 5 EDBDLO C[C@H]1C[NH+](CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280680460 273384933 /nfs/dbraw/zinc/38/49/33/273384933.db2.gz CJZHKPGZABJBFT-RYUDHWBXSA-N 1 2 337.376 1.530 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000284544877 274239871 /nfs/dbraw/zinc/23/98/71/274239871.db2.gz HLEZAUCRHNBWKR-ILXRZTDVSA-N 1 2 347.375 1.517 20 5 EDBDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000284544877 274239874 /nfs/dbraw/zinc/23/98/74/274239874.db2.gz HLEZAUCRHNBWKR-ILXRZTDVSA-N 1 2 347.375 1.517 20 5 EDBDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000284587649 274254553 /nfs/dbraw/zinc/25/45/53/274254553.db2.gz ONQQWODHJWECEM-GJZGRUSLSA-N 1 2 345.355 1.929 20 5 EDBDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000284587649 274254556 /nfs/dbraw/zinc/25/45/56/274254556.db2.gz ONQQWODHJWECEM-GJZGRUSLSA-N 1 2 345.355 1.929 20 5 EDBDLO CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000366881305 277113067 /nfs/dbraw/zinc/11/30/67/277113067.db2.gz RBUPVFHYIUNKAL-LLVKDONJSA-N 1 2 329.320 1.347 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c([nH+]cn3C)C2)c1 ZINC000374519504 279965898 /nfs/dbraw/zinc/96/58/98/279965898.db2.gz JVTHWQJJXUJLCW-UHFFFAOYSA-N 1 2 330.344 1.926 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106581899 281018224 /nfs/dbraw/zinc/01/82/24/281018224.db2.gz QBOGUUHNMKXDNM-ZDUSSCGKSA-N 1 2 335.408 1.661 20 5 EDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000291472227 289077691 /nfs/dbraw/zinc/07/76/91/289077691.db2.gz PFHNJZITNGNKJP-CZUORRHYSA-N 1 2 349.387 1.295 20 5 EDBDLO C[N@@H+]1CC[C@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292417108 289341311 /nfs/dbraw/zinc/34/13/11/289341311.db2.gz WEZCQYBMLLTOBU-ZDUSSCGKSA-N 1 2 345.446 1.592 20 5 EDBDLO C[N@H+]1CC[C@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292417108 289341313 /nfs/dbraw/zinc/34/13/13/289341313.db2.gz WEZCQYBMLLTOBU-ZDUSSCGKSA-N 1 2 345.446 1.592 20 5 EDBDLO C[NH+]1CCN(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CCCC2)CC1 ZINC000378420456 290038024 /nfs/dbraw/zinc/03/80/24/290038024.db2.gz GJHBIRUFQHDDEC-UHFFFAOYSA-N 1 2 348.403 1.799 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000330434125 301672440 /nfs/dbraw/zinc/67/24/40/301672440.db2.gz XWTBNAYQTPITEU-UHFFFAOYSA-N 1 2 341.433 1.866 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000350932277 302046013 /nfs/dbraw/zinc/04/60/13/302046013.db2.gz AGRGITIVAKLJDF-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000350932277 302046015 /nfs/dbraw/zinc/04/60/15/302046015.db2.gz AGRGITIVAKLJDF-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO NC(=O)c1ccc(CSCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000160051870 302920033 /nfs/dbraw/zinc/92/00/33/302920033.db2.gz VBBNHWUEQKVWLA-UHFFFAOYSA-N 1 2 325.390 1.259 20 5 EDBDLO COc1c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000456208821 447326824 /nfs/dbraw/zinc/32/68/24/447326824.db2.gz 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CNC(=O)c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000301558926 303684746 /nfs/dbraw/zinc/68/47/46/303684746.db2.gz OCXJUQBHWIRXCV-CYBMUJFWSA-N 1 2 329.360 1.820 20 5 EDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456221765 447338225 /nfs/dbraw/zinc/33/82/25/447338225.db2.gz YTJSABALCOXOON-OKILXGFUSA-N 1 2 349.387 1.343 20 5 EDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456221765 447338228 /nfs/dbraw/zinc/33/82/28/447338228.db2.gz YTJSABALCOXOON-OKILXGFUSA-N 1 2 349.387 1.343 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000377763181 447342039 /nfs/dbraw/zinc/34/20/39/447342039.db2.gz RBLYMPIUHVTLFX-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000433070845 305099812 /nfs/dbraw/zinc/09/98/12/305099812.db2.gz WJDVDGCOMRSDIO-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000433070845 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CSc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000614419195 449601423 /nfs/dbraw/zinc/60/14/23/449601423.db2.gz XVFTXPUUZPIZOT-JQWIXIFHSA-N 1 2 339.417 1.766 20 5 EDBDLO COCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000602470633 449616903 /nfs/dbraw/zinc/61/69/03/449616903.db2.gz AWZGFCLLZBUAGZ-UHFFFAOYSA-N 1 2 348.359 1.706 20 5 EDBDLO COCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000602470633 449616909 /nfs/dbraw/zinc/61/69/09/449616909.db2.gz AWZGFCLLZBUAGZ-UHFFFAOYSA-N 1 2 348.359 1.706 20 5 EDBDLO O=[N+]([O-])c1ccc(CCNc2ccc(N3CCOCC3)c[nH+]2)cc1 ZINC000602522728 449648315 /nfs/dbraw/zinc/64/83/15/449648315.db2.gz XAMHZLNKQKZXBP-UHFFFAOYSA-N 1 2 328.372 2.481 20 5 EDBDLO O=C(CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])N1CCOCC1 ZINC000599023451 449702578 /nfs/dbraw/zinc/70/25/78/449702578.db2.gz SMVIFQSPCSGJRG-UHFFFAOYSA-N 1 2 330.344 1.804 20 5 EDBDLO COC(=O)[C@H]1C[C@H](O)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093755 449728481 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C[N@H+]1CCO[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000345661729 536440009 /nfs/dbraw/zinc/44/00/09/536440009.db2.gz WHDREURTBCTSPI-DZGCQCFKSA-N 1 2 337.401 1.499 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000131250400 528210484 /nfs/dbraw/zinc/21/04/84/528210484.db2.gz OJMTWXNJHAXEHF-DOTOQJQBSA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000131250400 528210487 /nfs/dbraw/zinc/21/04/87/528210487.db2.gz OJMTWXNJHAXEHF-DOTOQJQBSA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000131250400 528210492 /nfs/dbraw/zinc/21/04/92/528210492.db2.gz OJMTWXNJHAXEHF-DOTOQJQBSA-N 1 2 335.404 1.897 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000131250400 528210495 /nfs/dbraw/zinc/21/04/95/528210495.db2.gz OJMTWXNJHAXEHF-DOTOQJQBSA-N 1 2 335.404 1.897 20 5 EDBDLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 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DAPOIUDUZQUXLA-ZDUSSCGKSA-N 1 2 332.404 1.552 20 5 EDBDLO CC(C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000269155915 443215932 /nfs/dbraw/zinc/21/59/32/443215932.db2.gz UYBNXQLVQUIDMJ-OAHLLOKOSA-N 1 2 337.376 1.387 20 5 EDBDLO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000272544050 443356675 /nfs/dbraw/zinc/35/66/75/443356675.db2.gz OIBHTQBJIXRYLL-ABAIWWIYSA-N 1 2 335.360 1.093 20 5 EDBDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000264751920 443406615 /nfs/dbraw/zinc/40/66/15/443406615.db2.gz RIERIZADHFBWIX-WFASDCNBSA-N 1 2 335.408 1.201 20 5 EDBDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000264751920 443406618 /nfs/dbraw/zinc/40/66/18/443406618.db2.gz RIERIZADHFBWIX-WFASDCNBSA-N 1 2 335.408 1.201 20 5 EDBDLO CO[C@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279219093 443539788 /nfs/dbraw/zinc/53/97/88/443539788.db2.gz CRIPSBLPYFRVMM-OAHLLOKOSA-N 1 2 342.417 1.869 20 5 EDBDLO CO[C@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279219093 443539791 /nfs/dbraw/zinc/53/97/91/443539791.db2.gz CRIPSBLPYFRVMM-OAHLLOKOSA-N 1 2 342.417 1.869 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000283231181 443568509 /nfs/dbraw/zinc/56/85/09/443568509.db2.gz SXLIDAAUIDSUCX-LLVKDONJSA-N 1 2 335.360 1.843 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(=O)[C@H](C)C1 ZINC000283231181 443568510 /nfs/dbraw/zinc/56/85/10/443568510.db2.gz SXLIDAAUIDSUCX-LLVKDONJSA-N 1 2 335.360 1.843 20 5 EDBDLO C[S@](=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448956375 320165455 /nfs/dbraw/zinc/16/54/55/320165455.db2.gz ZRIJSFXIPHFWGI-QHCPKHFHSA-N 1 2 336.373 1.279 20 5 EDBDLO COc1ccc(C[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000280285525 443690782 /nfs/dbraw/zinc/69/07/82/443690782.db2.gz ZDCZYQBMWXUGKN-HNNXBMFYSA-N 1 2 345.403 1.826 20 5 EDBDLO COc1ccc(C[N@H+]2CCN(C)[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000280285525 443690783 /nfs/dbraw/zinc/69/07/83/443690783.db2.gz ZDCZYQBMWXUGKN-HNNXBMFYSA-N 1 2 345.403 1.826 20 5 EDBDLO Nc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000298691497 443839977 /nfs/dbraw/zinc/83/99/77/443839977.db2.gz DIDPKQNYGLGUIM-UHFFFAOYSA-N 1 2 329.364 1.964 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000276841952 443848326 /nfs/dbraw/zinc/84/83/26/443848326.db2.gz YVUGYWMFZOQGHP-ZDUSSCGKSA-N 1 2 344.375 1.039 20 5 EDBDLO CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000281045403 443803140 /nfs/dbraw/zinc/80/31/40/443803140.db2.gz WCJJPKHEJSWUOF-UHFFFAOYSA-N 1 2 347.375 1.766 20 5 EDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888650 320667821 /nfs/dbraw/zinc/66/78/21/320667821.db2.gz VASQEHFFYRXLEN-ZDUSSCGKSA-N 1 2 341.371 1.904 20 5 EDBDLO Cn1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000533808357 320695245 /nfs/dbraw/zinc/69/52/45/320695245.db2.gz FFZUDQIEBCLRTG-UHFFFAOYSA-N 1 2 334.401 1.953 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000299401775 444037206 /nfs/dbraw/zinc/03/72/06/444037206.db2.gz MIUTVBZVPAXUGZ-NSHDSACASA-N 1 2 343.380 1.593 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000299401775 444037208 /nfs/dbraw/zinc/03/72/08/444037208.db2.gz MIUTVBZVPAXUGZ-NSHDSACASA-N 1 2 343.380 1.593 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282056125 444073889 /nfs/dbraw/zinc/07/38/89/444073889.db2.gz YDBXCAFRZBWYGB-VIFPVBQESA-N 1 2 335.393 1.134 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282056125 444073892 /nfs/dbraw/zinc/07/38/92/444073892.db2.gz YDBXCAFRZBWYGB-VIFPVBQESA-N 1 2 335.393 1.134 20 5 EDBDLO CC(C)[C@](C)([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(N)=O ZINC000289458535 444150060 /nfs/dbraw/zinc/15/00/60/444150060.db2.gz XZXMXLXNNVVETJ-HNNXBMFYSA-N 1 2 333.348 1.634 20 5 EDBDLO Cn1c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000340657045 444474312 /nfs/dbraw/zinc/47/43/12/444474312.db2.gz FVDXFNWYVLUCOD-UHFFFAOYSA-N 1 2 331.254 1.622 20 5 EDBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580079217 322007448 /nfs/dbraw/zinc/00/74/48/322007448.db2.gz VCXOGKIMGXAMFC-ZDUSSCGKSA-N 1 2 326.356 1.939 20 5 EDBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338199850 444560434 /nfs/dbraw/zinc/56/04/34/444560434.db2.gz ZAONSTMVQVLNNP-UHFFFAOYSA-N 1 2 349.368 1.630 20 5 EDBDLO CO[C@H]1C[C@H](C(N)=O)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006723 444723783 /nfs/dbraw/zinc/72/37/83/444723783.db2.gz NLXFIPVJISYOEL-SWLSCSKDSA-N 1 2 345.355 1.929 20 5 EDBDLO CO[C@H]1C[C@H](C(N)=O)[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006723 444723784 /nfs/dbraw/zinc/72/37/84/444723784.db2.gz NLXFIPVJISYOEL-SWLSCSKDSA-N 1 2 345.355 1.929 20 5 EDBDLO O=C(CO)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000342863416 444900576 /nfs/dbraw/zinc/90/05/76/444900576.db2.gz VAJUMQKJXZUHGJ-UHFFFAOYSA-N 1 2 345.355 1.491 20 5 EDBDLO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000344370117 444924310 /nfs/dbraw/zinc/92/43/10/444924310.db2.gz OWEVRZNHBWMVPJ-ZIAGYGMSSA-N 1 2 348.359 1.881 20 5 EDBDLO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000344370117 444924312 /nfs/dbraw/zinc/92/43/12/444924312.db2.gz OWEVRZNHBWMVPJ-ZIAGYGMSSA-N 1 2 348.359 1.881 20 5 EDBDLO CN(C)c1[nH]c2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2[nH+]1 ZINC000338926347 444936512 /nfs/dbraw/zinc/93/65/12/444936512.db2.gz NMMODRPFSUZOOH-UHFFFAOYSA-N 1 2 329.320 1.372 20 5 EDBDLO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000339065492 445016002 /nfs/dbraw/zinc/01/60/02/445016002.db2.gz FQDXBSOANWPKPP-RYUDHWBXSA-N 1 2 327.406 1.449 20 5 EDBDLO CC1(C)CNC(=O)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000337382569 445057566 /nfs/dbraw/zinc/05/75/66/445057566.db2.gz DRNSGTZTECITTP-UHFFFAOYSA-N 1 2 348.359 1.103 20 5 EDBDLO CC1(C)CNC(=O)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000337382569 445057567 /nfs/dbraw/zinc/05/75/67/445057567.db2.gz DRNSGTZTECITTP-UHFFFAOYSA-N 1 2 348.359 1.103 20 5 EDBDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000341902714 445063258 /nfs/dbraw/zinc/06/32/58/445063258.db2.gz NEEZCBQXFNXYNO-UHFFFAOYSA-N 1 2 347.375 1.546 20 5 EDBDLO CCOC(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000341902714 445063260 /nfs/dbraw/zinc/06/32/60/445063260.db2.gz NEEZCBQXFNXYNO-UHFFFAOYSA-N 1 2 347.375 1.546 20 5 EDBDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000339272428 445128730 /nfs/dbraw/zinc/12/87/30/445128730.db2.gz UPACPMWRMHZXJK-HNNXBMFYSA-N 1 2 348.403 1.430 20 5 EDBDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000339272428 445128732 /nfs/dbraw/zinc/12/87/32/445128732.db2.gz UPACPMWRMHZXJK-HNNXBMFYSA-N 1 2 348.403 1.430 20 5 EDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000345515822 445188730 /nfs/dbraw/zinc/18/87/30/445188730.db2.gz FVYSDQWNJFHBTJ-MNOVXSKESA-N 1 2 345.396 1.837 20 5 EDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000345515822 445188733 /nfs/dbraw/zinc/18/87/33/445188733.db2.gz FVYSDQWNJFHBTJ-MNOVXSKESA-N 1 2 345.396 1.837 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337572133 445144763 /nfs/dbraw/zinc/14/47/63/445144763.db2.gz DHIZLBZBCWWGHV-OAHLLOKOSA-N 1 2 328.328 1.482 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1([NH+]2CCOCC2)CC1 ZINC000343240379 445155665 /nfs/dbraw/zinc/15/56/65/445155665.db2.gz WHIKQPBFAHKIOM-UHFFFAOYSA-N 1 2 349.387 1.967 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000348317499 445254399 /nfs/dbraw/zinc/25/43/99/445254399.db2.gz WPFWLYNBZRAAFZ-NSHDSACASA-N 1 2 327.406 1.536 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)c1C ZINC000348317499 445254403 /nfs/dbraw/zinc/25/44/03/445254403.db2.gz WPFWLYNBZRAAFZ-NSHDSACASA-N 1 2 327.406 1.536 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000359668620 445366160 /nfs/dbraw/zinc/36/61/60/445366160.db2.gz AITZPISOAPWQTD-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000359668620 445366163 /nfs/dbraw/zinc/36/61/63/445366163.db2.gz AITZPISOAPWQTD-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EDBDLO O=C(NC[C@@H](CO)C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359771245 445418650 /nfs/dbraw/zinc/41/86/50/445418650.db2.gz CYGIKPKWRDCGDD-ZDUSSCGKSA-N 1 2 330.344 1.529 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000357029027 445382462 /nfs/dbraw/zinc/38/24/62/445382462.db2.gz VGYPZHZFZREKHI-UHFFFAOYSA-N 1 2 329.360 1.806 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000357029027 445382467 /nfs/dbraw/zinc/38/24/67/445382467.db2.gz VGYPZHZFZREKHI-UHFFFAOYSA-N 1 2 329.360 1.806 20 5 EDBDLO 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CPXBBLDOQBCWQN-OCCSQVGLSA-N 1 2 342.359 1.164 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000755213133 579922932 /nfs/dbraw/zinc/92/29/32/579922932.db2.gz JXHSQSHMZRGUHY-YPDDLIOESA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000755213133 579922933 /nfs/dbraw/zinc/92/29/33/579922933.db2.gz JXHSQSHMZRGUHY-YPDDLIOESA-N 1 2 333.388 1.835 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769563361 580240113 /nfs/dbraw/zinc/24/01/13/580240113.db2.gz HUFPNZJFSZFADY-DTORHVGOSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769563361 580240114 /nfs/dbraw/zinc/24/01/14/580240114.db2.gz HUFPNZJFSZFADY-DTORHVGOSA-N 1 2 331.166 1.285 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000771786005 580294002 /nfs/dbraw/zinc/29/40/02/580294002.db2.gz VFGCALZRIBEQLF-WDEREUQCSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000771786005 580294003 /nfs/dbraw/zinc/29/40/03/580294003.db2.gz VFGCALZRIBEQLF-WDEREUQCSA-N 1 2 345.396 1.755 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000771959685 580299528 /nfs/dbraw/zinc/29/95/28/580299528.db2.gz JNRGHDWAJXGTIT-LLVKDONJSA-N 1 2 348.315 1.232 20 5 EDBDLO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000772983295 580324763 /nfs/dbraw/zinc/32/47/63/580324763.db2.gz YQMLRWYZVJPQOR-AWEZNQCLSA-N 1 2 349.387 1.674 20 5 EDBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000779524192 580487906 /nfs/dbraw/zinc/48/79/06/580487906.db2.gz AJEMIZXLOUXMHH-UHFFFAOYSA-N 1 2 342.346 1.979 20 5 EDBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000779524192 580487907 /nfs/dbraw/zinc/48/79/07/580487907.db2.gz AJEMIZXLOUXMHH-UHFFFAOYSA-N 1 2 342.346 1.979 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC[S@@](C)=O)CC2)n1 ZINC000781658424 580553956 /nfs/dbraw/zinc/55/39/56/580553956.db2.gz JVXVQRAYVGCTOO-JOCHJYFZSA-N 1 2 326.422 1.107 20 5 EDBDLO CN1CC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000785676980 580649921 /nfs/dbraw/zinc/64/99/21/580649921.db2.gz JGNMLDJSKSDCTI-ZDUSSCGKSA-N 1 2 330.300 1.168 20 5 EDBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792883926 580830106 /nfs/dbraw/zinc/83/01/06/580830106.db2.gz ZFQHDOUHDHWIPD-GXFFZTMASA-N 1 2 325.321 1.475 20 5 EDBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792883926 580830107 /nfs/dbraw/zinc/83/01/07/580830107.db2.gz ZFQHDOUHDHWIPD-GXFFZTMASA-N 1 2 325.321 1.475 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)cn1 ZINC000799293760 581024155 /nfs/dbraw/zinc/02/41/55/581024155.db2.gz LLKGPBSZLNLYBK-OAHLLOKOSA-N 1 2 347.350 1.380 20 5 EDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000891468638 591081502 /nfs/dbraw/zinc/08/15/02/591081502.db2.gz BYJRFRUTOMETDJ-UHFFFAOYSA-N 1 2 343.387 1.644 20 5 EDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000895801513 591275940 /nfs/dbraw/zinc/27/59/40/591275940.db2.gz JNQNVEGWQXEJMB-ZDUSSCGKSA-N 1 2 337.376 1.904 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900294435 591978054 /nfs/dbraw/zinc/97/80/54/591978054.db2.gz IVFOGYFCBLSDRH-UKTHLTGXSA-N 1 2 349.387 1.498 20 5 EDBDLO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000900807989 592130603 /nfs/dbraw/zinc/13/06/03/592130603.db2.gz XSRWKKDIFWAVIA-SMDDNHRTSA-N 1 2 338.383 1.027 20 5 EDBDLO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000900807989 592130604 /nfs/dbraw/zinc/13/06/04/592130604.db2.gz XSRWKKDIFWAVIA-SMDDNHRTSA-N 1 2 338.383 1.027 20 5 EDBDLO O=C(CNc1cccc[nH+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000907652138 592743853 /nfs/dbraw/zinc/74/38/53/592743853.db2.gz IPWTXFFRSABKJG-UHFFFAOYSA-N 1 2 328.328 1.692 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783509112 593132643 /nfs/dbraw/zinc/13/26/43/593132643.db2.gz KNIAZFWCHDPOGC-UHFFFAOYSA-N 1 2 340.811 1.454 20 5 EDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000807982641 593213931 /nfs/dbraw/zinc/21/39/31/593213931.db2.gz INFBHQCQZYGTBX-HSZRJFAPSA-N 1 2 339.417 1.298 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000808777500 593287592 /nfs/dbraw/zinc/28/75/92/593287592.db2.gz PBKYLVLWOHLZKW-AAEUAGOBSA-N 1 2 333.348 1.332 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000808777500 593287593 /nfs/dbraw/zinc/28/75/93/593287593.db2.gz PBKYLVLWOHLZKW-AAEUAGOBSA-N 1 2 333.348 1.332 20 5 EDBDLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839998578 593323738 /nfs/dbraw/zinc/32/37/38/593323738.db2.gz HVYJXCURQRIADT-GOEBONIOSA-N 1 2 335.360 1.600 20 5 EDBDLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839998578 593323740 /nfs/dbraw/zinc/32/37/40/593323740.db2.gz HVYJXCURQRIADT-GOEBONIOSA-N 1 2 335.360 1.600 20 5 EDBDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839607766 593349211 /nfs/dbraw/zinc/34/92/11/593349211.db2.gz JFKWAJPBINFQIW-UHFFFAOYSA-N 1 2 328.756 1.384 20 5 EDBDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839607766 593349212 /nfs/dbraw/zinc/34/92/12/593349212.db2.gz JFKWAJPBINFQIW-UHFFFAOYSA-N 1 2 328.756 1.384 20 5 EDBDLO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839743608 593378491 /nfs/dbraw/zinc/37/84/91/593378491.db2.gz QOLHMMRYMXPMRV-RRFJBIMHSA-N 1 2 335.429 1.385 20 5 EDBDLO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839743608 593378493 /nfs/dbraw/zinc/37/84/93/593378493.db2.gz QOLHMMRYMXPMRV-RRFJBIMHSA-N 1 2 335.429 1.385 20 5 EDBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(=O)O1 ZINC000839780975 593382860 /nfs/dbraw/zinc/38/28/60/593382860.db2.gz YDAMEXBLSLIZNE-MWLCHTKSSA-N 1 2 330.300 1.214 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000828223166 594368637 /nfs/dbraw/zinc/36/86/37/594368637.db2.gz MNGJMAPUXMIADS-UHFFFAOYSA-N 1 2 335.339 1.506 20 5 EDBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)OCCCO1 ZINC000830374702 594384750 /nfs/dbraw/zinc/38/47/50/594384750.db2.gz GPZUVBLMYZRPKO-UHFFFAOYSA-N 1 2 346.343 1.663 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830886908 594505667 /nfs/dbraw/zinc/50/56/67/594505667.db2.gz WZUGVWKDOQAVAB-ZYHUDNBSSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830886908 594505669 /nfs/dbraw/zinc/50/56/69/594505669.db2.gz WZUGVWKDOQAVAB-ZYHUDNBSSA-N 1 2 328.752 1.604 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000829005690 594547536 /nfs/dbraw/zinc/54/75/36/594547536.db2.gz DSLDLQQTWHHYRW-SNVBAGLBSA-N 1 2 347.350 1.741 20 5 EDBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832415738 594748776 /nfs/dbraw/zinc/74/87/76/594748776.db2.gz WARBZIFWNKSPMY-VIFPVBQESA-N 1 2 342.352 1.990 20 5 EDBDLO O=C(NCC1OCCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000832763858 594774942 /nfs/dbraw/zinc/77/49/42/594774942.db2.gz AARITXVAQMEVJA-UHFFFAOYSA-N 1 2 332.316 1.273 20 5 EDBDLO O=C(OC[C@H]1COCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835141227 595267404 /nfs/dbraw/zinc/26/74/04/595267404.db2.gz YSPWYZRMTAKKFS-GFCCVEGCSA-N 1 2 333.300 1.353 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2)cc1 ZINC000844750079 595389094 /nfs/dbraw/zinc/38/90/94/595389094.db2.gz VXUZWVZIXAKRDJ-XAPDGSRCSA-N 1 2 332.385 1.621 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2)cc1 ZINC000844750079 595389096 /nfs/dbraw/zinc/38/90/96/595389096.db2.gz VXUZWVZIXAKRDJ-XAPDGSRCSA-N 1 2 332.385 1.621 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849282101 595500751 /nfs/dbraw/zinc/50/07/51/595500751.db2.gz QMNBTJODWGCDAE-NEPJUHHUSA-N 1 2 338.433 1.990 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849282101 595500752 /nfs/dbraw/zinc/50/07/52/595500752.db2.gz QMNBTJODWGCDAE-NEPJUHHUSA-N 1 2 338.433 1.990 20 5 EDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000857885821 595642736 /nfs/dbraw/zinc/64/27/36/595642736.db2.gz AAHHZUGMVIIPKD-ZUZCIYMTSA-N 1 2 341.327 1.025 20 5 EDBDLO CCN1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000849793490 595658495 /nfs/dbraw/zinc/65/84/95/595658495.db2.gz IROJCERTEDJVOM-AWEZNQCLSA-N 1 2 344.327 1.558 20 5 EDBDLO O=Cc1ccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc32)c([N+](=O)[O-])c1 ZINC000857984628 595677042 /nfs/dbraw/zinc/67/70/42/595677042.db2.gz CKWYVOSREACFTO-LLVKDONJSA-N 1 2 330.300 1.244 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000861761726 596092898 /nfs/dbraw/zinc/09/28/98/596092898.db2.gz NQMZLCLREAHIEB-UHFFFAOYSA-N 1 2 333.323 1.722 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000861761726 596092904 /nfs/dbraw/zinc/09/29/04/596092904.db2.gz NQMZLCLREAHIEB-UHFFFAOYSA-N 1 2 333.323 1.722 20 5 EDBDLO O=C(/C=C/C[NH+]1CCOCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000864579612 596271189 /nfs/dbraw/zinc/27/11/89/596271189.db2.gz DOEWGWBUGVPEAX-OWOJBTEDSA-N 1 2 334.376 1.011 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865172762 596500003 /nfs/dbraw/zinc/50/00/03/596500003.db2.gz WTPYWBAKWJPATI-NSHDSACASA-N 1 2 325.340 1.113 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865172762 596500004 /nfs/dbraw/zinc/50/00/04/596500004.db2.gz WTPYWBAKWJPATI-NSHDSACASA-N 1 2 325.340 1.113 20 5 EDBDLO C[C@@H](O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]c1 ZINC000865438045 596574759 /nfs/dbraw/zinc/57/47/59/596574759.db2.gz YBHMEUQIIAYMLP-GFCCVEGCSA-N 1 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597141414 /nfs/dbraw/zinc/14/14/14/597141414.db2.gz IOAPTRCHMSIXDT-CYBMUJFWSA-N 1 2 337.376 1.201 20 5 EDBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876566326 597243288 /nfs/dbraw/zinc/24/32/88/597243288.db2.gz GLEFNNIHSIYFPW-GFCCVEGCSA-N 1 2 339.396 1.770 20 5 EDBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876566326 597243290 /nfs/dbraw/zinc/24/32/90/597243290.db2.gz GLEFNNIHSIYFPW-GFCCVEGCSA-N 1 2 339.396 1.770 20 5 EDBDLO CN(C(=O)CC1CC1)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005042765 707169297 /nfs/dbraw/zinc/16/92/97/707169297.db2.gz GUSNHLWSBCRDHK-UHFFFAOYSA-N 1 2 335.408 1.551 20 5 EDBDLO Cc1cc(C(=O)NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)no1 ZINC001002285891 708763864 /nfs/dbraw/zinc/76/38/64/708763864.db2.gz QQQRQCDJVSIAQJ-UHFFFAOYSA-N 1 2 348.363 1.019 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000098081156 219080467 /nfs/dbraw/zinc/08/04/67/219080467.db2.gz HOFUQQFLSBLZBV-UHFFFAOYSA-N 1 2 325.365 1.437 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000104599507 219398228 /nfs/dbraw/zinc/39/82/28/219398228.db2.gz SMSYYRLDDRCUGX-NWDGAFQWSA-N 1 2 346.387 1.915 20 5 EDBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000089203880 138273548 /nfs/dbraw/zinc/27/35/48/138273548.db2.gz PIIGLFBFTPCMCL-VIFPVBQESA-N 1 2 326.316 1.869 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000565220610 306379072 /nfs/dbraw/zinc/37/90/72/306379072.db2.gz FNRRSRWDJVZHQZ-GFCCVEGCSA-N 1 2 348.403 1.393 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000566224091 306404382 /nfs/dbraw/zinc/40/43/82/306404382.db2.gz FWJNJCVMBXSRRS-CQSZACIVSA-N 1 2 345.396 1.479 20 5 EDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000354767774 284281792 /nfs/dbraw/zinc/28/17/92/284281792.db2.gz IYGWBZMOPCLEPU-VIFPVBQESA-N 1 2 347.306 1.069 20 5 EDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000354767774 284281798 /nfs/dbraw/zinc/28/17/98/284281798.db2.gz IYGWBZMOPCLEPU-VIFPVBQESA-N 1 2 347.306 1.069 20 5 EDBDLO COCCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079443657 217226234 /nfs/dbraw/zinc/22/62/34/217226234.db2.gz ZMXXJEIRJGUUAA-UHFFFAOYSA-N 1 2 337.376 1.016 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000093213997 218204139 /nfs/dbraw/zinc/20/41/39/218204139.db2.gz LDHNLIZSPXPNNN-UHFFFAOYSA-N 1 2 334.376 1.572 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000093213997 218204141 /nfs/dbraw/zinc/20/41/41/218204141.db2.gz LDHNLIZSPXPNNN-UHFFFAOYSA-N 1 2 334.376 1.572 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413293266 250714171 /nfs/dbraw/zinc/71/41/71/250714171.db2.gz BJKSBGFHEJSMED-JTQLQIEISA-N 1 2 326.328 1.426 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413293266 250714175 /nfs/dbraw/zinc/71/41/75/250714175.db2.gz BJKSBGFHEJSMED-JTQLQIEISA-N 1 2 326.328 1.426 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266176672 285156559 /nfs/dbraw/zinc/15/65/59/285156559.db2.gz KLMPHTBQCIBRGH-NSHDSACASA-N 1 2 341.364 1.369 20 5 EDBDLO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000263477826 139344104 /nfs/dbraw/zinc/34/41/04/139344104.db2.gz FRHDYKSSSLSEDF-UHFFFAOYSA-N 1 2 337.376 1.631 20 5 EDBDLO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000263477826 139344105 /nfs/dbraw/zinc/34/41/05/139344105.db2.gz FRHDYKSSSLSEDF-UHFFFAOYSA-N 1 2 337.376 1.631 20 5 EDBDLO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000263644022 139349291 /nfs/dbraw/zinc/34/92/91/139349291.db2.gz AAJATZLQQAWQKP-BPJJOFIESA-N 1 2 335.360 1.524 20 5 EDBDLO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000263644022 139349292 /nfs/dbraw/zinc/34/92/92/139349292.db2.gz AAJATZLQQAWQKP-BPJJOFIESA-N 1 2 335.360 1.524 20 5 EDBDLO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccn(C)n1 ZINC000459791403 255002034 /nfs/dbraw/zinc/00/20/34/255002034.db2.gz NIUDGVYZWUCDCD-LLVKDONJSA-N 1 2 329.360 1.568 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459796980 255002569 /nfs/dbraw/zinc/00/25/69/255002569.db2.gz RSCYYTGSHBWMPP-SNVBAGLBSA-N 1 2 333.348 1.626 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493265917 255200571 /nfs/dbraw/zinc/20/05/71/255200571.db2.gz NIFNCUBQYJWWME-AFNCTOJWSA-N 1 2 333.388 1.787 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000352624787 285327558 /nfs/dbraw/zinc/32/75/58/285327558.db2.gz BPTNJJLIVKXNKS-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000352624787 285327559 /nfs/dbraw/zinc/32/75/59/285327559.db2.gz BPTNJJLIVKXNKS-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269850803 140006533 /nfs/dbraw/zinc/00/65/33/140006533.db2.gz FTFMMQMRVWPQOO-JTQLQIEISA-N 1 2 328.332 1.175 20 5 EDBDLO O=C1C[N@H+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000269994813 140030549 /nfs/dbraw/zinc/03/05/49/140030549.db2.gz VVXHTICCXWMECD-UHFFFAOYSA-N 1 2 346.309 1.847 20 5 EDBDLO O=C1C[N@@H+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000269994813 140030550 /nfs/dbraw/zinc/03/05/50/140030550.db2.gz VVXHTICCXWMECD-UHFFFAOYSA-N 1 2 346.309 1.847 20 5 EDBDLO Cc1cc(N2CC[C@H](NC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270618504 140135573 /nfs/dbraw/zinc/13/55/73/140135573.db2.gz BRVAJTDCQUPHII-LBPRGKRZSA-N 1 2 342.359 1.607 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270849292 140182298 /nfs/dbraw/zinc/18/22/98/140182298.db2.gz GNBMFNBLJGCFDD-GFCCVEGCSA-N 1 2 332.360 1.230 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270849292 140182300 /nfs/dbraw/zinc/18/23/00/140182300.db2.gz GNBMFNBLJGCFDD-GFCCVEGCSA-N 1 2 332.360 1.230 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000331421959 141023389 /nfs/dbraw/zinc/02/33/89/141023389.db2.gz UIQWVAREMBLWRS-NSHDSACASA-N 1 2 332.364 1.157 20 5 EDBDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332254722 141147682 /nfs/dbraw/zinc/14/76/82/141147682.db2.gz MSIUKNQIEDQCAX-QGZVFWFLSA-N 1 2 333.388 1.985 20 5 EDBDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332254722 141147683 /nfs/dbraw/zinc/14/76/83/141147683.db2.gz MSIUKNQIEDQCAX-QGZVFWFLSA-N 1 2 333.388 1.985 20 5 EDBDLO Cn1c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000345358395 143082087 /nfs/dbraw/zinc/08/20/87/143082087.db2.gz NWARMFSOQXEULN-UHFFFAOYSA-N 1 2 345.359 1.095 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000345416864 143088839 /nfs/dbraw/zinc/08/88/39/143088839.db2.gz QAYJBUGHCZDYHR-TXEJJXNPSA-N 1 2 339.367 1.915 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000345416864 143088840 /nfs/dbraw/zinc/08/88/40/143088840.db2.gz QAYJBUGHCZDYHR-TXEJJXNPSA-N 1 2 339.367 1.915 20 5 EDBDLO O=C(CCn1cc[nH+]c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000346329056 143192517 /nfs/dbraw/zinc/19/25/17/143192517.db2.gz JIMRYOOSWYXUDR-GFCCVEGCSA-N 1 2 330.348 1.289 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000346879889 143255386 /nfs/dbraw/zinc/25/53/86/143255386.db2.gz OKBKADGJJJFBFX-MWLCHTKSSA-N 1 2 334.336 1.304 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000346879889 143255387 /nfs/dbraw/zinc/25/53/87/143255387.db2.gz OKBKADGJJJFBFX-MWLCHTKSSA-N 1 2 334.336 1.304 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000347115670 143284440 /nfs/dbraw/zinc/28/44/40/143284440.db2.gz KWFLDVYOBQYTJO-UHFFFAOYSA-N 1 2 338.287 1.626 20 5 EDBDLO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nnc2ccccn21 ZINC000347675255 143348244 /nfs/dbraw/zinc/34/82/44/143348244.db2.gz NYSZNKFPZYADIC-ZDUSSCGKSA-N 1 2 329.364 1.858 20 5 EDBDLO Cc1noc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000348095738 143399938 /nfs/dbraw/zinc/39/99/38/143399938.db2.gz JZWDXSAAZGYBIU-RNCFNFMXSA-N 1 2 331.332 1.742 20 5 EDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000572993432 306607337 /nfs/dbraw/zinc/60/73/37/306607337.db2.gz LMAJKDKGPIYNJA-CYBMUJFWSA-N 1 2 344.371 1.379 20 5 EDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000352936773 149221263 /nfs/dbraw/zinc/22/12/63/149221263.db2.gz JTIVOPYITOGSLR-UHFFFAOYSA-N 1 2 336.373 1.521 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000354899377 150019470 /nfs/dbraw/zinc/01/94/70/150019470.db2.gz LQFCXPOBQKYHJF-JTQLQIEISA-N 1 2 341.389 1.271 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000354899377 150019472 /nfs/dbraw/zinc/01/94/72/150019472.db2.gz LQFCXPOBQKYHJF-JTQLQIEISA-N 1 2 341.389 1.271 20 5 EDBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370002878 155277050 /nfs/dbraw/zinc/27/70/50/155277050.db2.gz UJSGOLYAZGNRJZ-CQSZACIVSA-N 1 2 333.396 1.876 20 5 EDBDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370002878 155277052 /nfs/dbraw/zinc/27/70/52/155277052.db2.gz UJSGOLYAZGNRJZ-CQSZACIVSA-N 1 2 333.396 1.876 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000417065486 304368652 /nfs/dbraw/zinc/36/86/52/304368652.db2.gz KKPQYPWIDLJMMM-UHFFFAOYSA-N 1 2 340.355 1.966 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367746114 154251638 /nfs/dbraw/zinc/25/16/38/154251638.db2.gz LMCDLUKNEPNCOG-SMDDNHRTSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367746114 154251641 /nfs/dbraw/zinc/25/16/41/154251641.db2.gz LMCDLUKNEPNCOG-SMDDNHRTSA-N 1 2 326.374 1.222 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377828262 158001670 /nfs/dbraw/zinc/00/16/70/158001670.db2.gz FPNXNYSWKAPLAE-OAHLLOKOSA-N 1 2 346.387 1.021 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408083327 158261216 /nfs/dbraw/zinc/26/12/16/158261216.db2.gz JBAOUIKLDBVDCB-VHSXEESVSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408083327 158261217 /nfs/dbraw/zinc/26/12/17/158261217.db2.gz JBAOUIKLDBVDCB-VHSXEESVSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000120494799 287005856 /nfs/dbraw/zinc/00/58/56/287005856.db2.gz WXELQKFNTSPXNI-LLVKDONJSA-N 1 2 337.380 1.081 20 5 EDBDLO COc1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] ZINC000122423972 222083539 /nfs/dbraw/zinc/08/35/39/222083539.db2.gz LCYUYJRLPFOWLO-UHFFFAOYSA-N 1 2 330.406 1.858 20 5 EDBDLO COc1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] ZINC000122423972 222083540 /nfs/dbraw/zinc/08/35/40/222083540.db2.gz LCYUYJRLPFOWLO-UHFFFAOYSA-N 1 2 330.406 1.858 20 5 EDBDLO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000124101871 222376794 /nfs/dbraw/zinc/37/67/94/222376794.db2.gz FXEIMJQWMJXPRM-HNNXBMFYSA-N 1 2 348.447 1.670 20 5 EDBDLO CC[C@H]([NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000279665387 273315634 /nfs/dbraw/zinc/31/56/34/273315634.db2.gz CZDSOBGFOBHHJR-NSHDSACASA-N 1 2 326.349 1.696 20 5 EDBDLO CCC[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000273364317 268035872 /nfs/dbraw/zinc/03/58/72/268035872.db2.gz QXRNHCWHFSTNHW-WBMJQRKESA-N 1 2 340.376 1.656 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1Br ZINC000273377250 273035745 /nfs/dbraw/zinc/03/57/45/273035745.db2.gz GBQDXNZSBSSGGE-UWVGGRQHSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1Br ZINC000273377250 273035746 /nfs/dbraw/zinc/03/57/46/273035746.db2.gz GBQDXNZSBSSGGE-UWVGGRQHSA-N 1 2 331.166 1.285 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)n1 ZINC000275611981 273113193 /nfs/dbraw/zinc/11/31/93/273113193.db2.gz IXLIBXPQZICRKH-LBPRGKRZSA-N 1 2 343.391 1.381 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)n1 ZINC000275611981 273113196 /nfs/dbraw/zinc/11/31/96/273113196.db2.gz IXLIBXPQZICRKH-LBPRGKRZSA-N 1 2 343.391 1.381 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000275682783 273119217 /nfs/dbraw/zinc/11/92/17/273119217.db2.gz MCJACGBLPAYCDF-GFCCVEGCSA-N 1 2 329.364 1.073 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000275682783 273119218 /nfs/dbraw/zinc/11/92/18/273119218.db2.gz MCJACGBLPAYCDF-GFCCVEGCSA-N 1 2 329.364 1.073 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277908436 273233946 /nfs/dbraw/zinc/23/39/46/273233946.db2.gz MHFXTSVZILMFQQ-UHFFFAOYSA-N 1 2 348.403 1.255 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280159156 273346277 /nfs/dbraw/zinc/34/62/77/273346277.db2.gz FEDCUMOURXFKHG-ABAIWWIYSA-N 1 2 337.332 1.883 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280159156 273346278 /nfs/dbraw/zinc/34/62/78/273346278.db2.gz FEDCUMOURXFKHG-ABAIWWIYSA-N 1 2 337.332 1.883 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000283971739 274032318 /nfs/dbraw/zinc/03/23/18/274032318.db2.gz GXLBQBXQFQFVGG-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000283971739 274032319 /nfs/dbraw/zinc/03/23/19/274032319.db2.gz GXLBQBXQFQFVGG-UONOGXRCSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000283971733 274032327 /nfs/dbraw/zinc/03/23/27/274032327.db2.gz GXLBQBXQFQFVGG-KGLIPLIRSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000283971733 274032328 /nfs/dbraw/zinc/03/23/28/274032328.db2.gz GXLBQBXQFQFVGG-KGLIPLIRSA-N 1 2 339.779 1.793 20 5 EDBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000284592227 274256619 /nfs/dbraw/zinc/25/66/19/274256619.db2.gz PANUCQNATRGAAW-HOCLYGCPSA-N 1 2 333.388 1.807 20 5 EDBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000284592227 274256622 /nfs/dbraw/zinc/25/66/22/274256622.db2.gz PANUCQNATRGAAW-HOCLYGCPSA-N 1 2 333.388 1.807 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284837167 274352815 /nfs/dbraw/zinc/35/28/15/274352815.db2.gz PINNHZPZAHTSAJ-ARFHVFGLSA-N 1 2 336.388 1.965 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284837167 274352816 /nfs/dbraw/zinc/35/28/16/274352816.db2.gz PINNHZPZAHTSAJ-ARFHVFGLSA-N 1 2 336.388 1.965 20 5 EDBDLO COc1ccc(C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000284915600 274385526 /nfs/dbraw/zinc/38/55/26/274385526.db2.gz CEXTYLJOLNARNL-AWEZNQCLSA-N 1 2 347.375 1.784 20 5 EDBDLO COc1ccc(C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000284915600 274385530 /nfs/dbraw/zinc/38/55/30/274385530.db2.gz CEXTYLJOLNARNL-AWEZNQCLSA-N 1 2 347.375 1.784 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286435028 288005450 /nfs/dbraw/zinc/00/54/50/288005450.db2.gz SDRJEOFCEOAVTK-WCQYABFASA-N 1 2 336.348 1.802 20 5 EDBDLO CS(=O)(=O)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292048856 289248448 /nfs/dbraw/zinc/24/84/48/289248448.db2.gz BIRPOCFQGUHQQY-UHFFFAOYSA-N 1 2 342.417 1.730 20 5 EDBDLO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000364980896 289322388 /nfs/dbraw/zinc/32/23/88/289322388.db2.gz MGFMIOCQEXMLOM-DJSGYFEHSA-N 1 2 349.387 1.624 20 5 EDBDLO CC(C)(C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000456196244 447319277 /nfs/dbraw/zinc/31/92/77/447319277.db2.gz CJYZCHPRTRCPQQ-OKILXGFUSA-N 1 2 347.415 1.852 20 5 EDBDLO CC(C)(C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000456196244 447319283 /nfs/dbraw/zinc/31/92/83/447319283.db2.gz CJYZCHPRTRCPQQ-OKILXGFUSA-N 1 2 347.415 1.852 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000340752622 303018551 /nfs/dbraw/zinc/01/85/51/303018551.db2.gz ZZHRABSQOWEYBU-NWDGAFQWSA-N 1 2 326.422 1.815 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000340752622 303018552 /nfs/dbraw/zinc/01/85/52/303018552.db2.gz ZZHRABSQOWEYBU-NWDGAFQWSA-N 1 2 326.422 1.815 20 5 EDBDLO COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294733262 303140473 /nfs/dbraw/zinc/14/04/73/303140473.db2.gz GMACJOLTZYEPNF-JTQLQIEISA-N 1 2 348.302 1.398 20 5 EDBDLO COc1cc(C[N@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294733262 303140475 /nfs/dbraw/zinc/14/04/75/303140475.db2.gz GMACJOLTZYEPNF-JTQLQIEISA-N 1 2 348.302 1.398 20 5 EDBDLO COc1c(C)c[nH+]c(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000295184938 303185432 /nfs/dbraw/zinc/18/54/32/303185432.db2.gz QGJWNKYSPZRPPK-CQSZACIVSA-N 1 2 349.391 1.305 20 5 EDBDLO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCOC2=O)c([N+](=O)[O-])c1 ZINC000298680470 303543895 /nfs/dbraw/zinc/54/38/95/303543895.db2.gz YXZBMXFLRNXXGP-OAHLLOKOSA-N 1 2 337.332 1.227 20 5 EDBDLO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436886130 305168775 /nfs/dbraw/zinc/16/87/75/305168775.db2.gz QQDQOMXGGKPCTA-UHFFFAOYSA-N 1 2 337.376 1.483 20 5 EDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000444433593 305248369 /nfs/dbraw/zinc/24/83/69/305248369.db2.gz PSVMLHKLPLFJAP-JTQLQIEISA-N 1 2 341.331 1.400 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447660602 305283996 /nfs/dbraw/zinc/28/39/96/305283996.db2.gz SXERTIPYLQXAFT-GFCCVEGCSA-N 1 2 337.376 1.396 20 5 EDBDLO O=C1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])N1 ZINC000447807909 305285941 /nfs/dbraw/zinc/28/59/41/305285941.db2.gz UUXMBOUELDBQCI-CQSZACIVSA-N 1 2 348.403 1.508 20 5 EDBDLO NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448584359 305298934 /nfs/dbraw/zinc/29/89/34/305298934.db2.gz DFZZVKQFZLHKPI-GFCCVEGCSA-N 1 2 343.343 1.118 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000536014391 306018949 /nfs/dbraw/zinc/01/89/49/306018949.db2.gz QNAVMIPCJTVHSQ-UHFFFAOYSA-N 1 2 349.416 1.656 20 5 EDBDLO CN(C(=O)C[N@@H+]1CC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000556972266 306222435 /nfs/dbraw/zinc/22/24/35/306222435.db2.gz ZFKROTQJAZHOOL-LBPRGKRZSA-N 1 2 329.303 1.871 20 5 EDBDLO CN(C(=O)C[N@H+]1CC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000556972266 306222436 /nfs/dbraw/zinc/22/24/36/306222436.db2.gz ZFKROTQJAZHOOL-LBPRGKRZSA-N 1 2 329.303 1.871 20 5 EDBDLO COC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449918679 447411448 /nfs/dbraw/zinc/41/14/48/447411448.db2.gz JKJVXBFJSQRVLJ-GFCCVEGCSA-N 1 2 330.344 1.889 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000057680949 441127529 /nfs/dbraw/zinc/12/75/29/441127529.db2.gz SKUIULSIDHYOLF-UHFFFAOYSA-N 1 2 338.383 1.724 20 5 EDBDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000080542418 441178363 /nfs/dbraw/zinc/17/83/63/441178363.db2.gz VGJXLBDXFLIONG-ZDUSSCGKSA-N 1 2 332.404 1.692 20 5 EDBDLO CCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000047031089 441150826 /nfs/dbraw/zinc/15/08/26/441150826.db2.gz UKUDHVQWQLJXRC-UHFFFAOYSA-N 1 2 327.406 1.620 20 5 EDBDLO CCCCNC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000015311400 441200149 /nfs/dbraw/zinc/20/01/49/441200149.db2.gz USUOAOSCLCNRDJ-UHFFFAOYSA-N 1 2 334.420 1.629 20 5 EDBDLO CCCCNC(=O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000015311400 441200153 /nfs/dbraw/zinc/20/01/53/441200153.db2.gz USUOAOSCLCNRDJ-UHFFFAOYSA-N 1 2 334.420 1.629 20 5 EDBDLO 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328.376 1.678 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282169481 444104684 /nfs/dbraw/zinc/10/46/84/444104684.db2.gz DVEXGUBMTRZGEY-CYBMUJFWSA-N 1 2 328.376 1.678 20 5 EDBDLO CCS(=O)(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000289456793 444149275 /nfs/dbraw/zinc/14/92/75/444149275.db2.gz NXWDPFXZLWIYKP-UHFFFAOYSA-N 1 2 333.435 1.560 20 5 EDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301176288 444152436 /nfs/dbraw/zinc/15/24/36/444152436.db2.gz YXZBYYMAWMHZIU-ZDUSSCGKSA-N 1 2 333.392 1.123 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295380869 444181577 /nfs/dbraw/zinc/18/15/77/444181577.db2.gz XOHHNMZXAXBIPY-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO CCNC(=O)C1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000301753013 444188649 /nfs/dbraw/zinc/18/86/49/444188649.db2.gz VTKOWABKGAOEFZ-UHFFFAOYSA-N 1 2 341.371 1.933 20 5 EDBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579358924 321926218 /nfs/dbraw/zinc/92/62/18/321926218.db2.gz ZWQOMOWSMYPQIL-LBPRGKRZSA-N 1 2 342.355 1.775 20 5 EDBDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000343748517 444562975 /nfs/dbraw/zinc/56/29/75/444562975.db2.gz ZXXSEYAFPNPDGR-LBPRGKRZSA-N 1 2 338.360 1.410 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCn3cc[nH+]c3C2)cc1 ZINC000342364167 444657391 /nfs/dbraw/zinc/65/73/91/444657391.db2.gz VEIUQZVIMSXSNW-UHFFFAOYSA-N 1 2 336.373 1.081 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000342646940 444794558 /nfs/dbraw/zinc/79/45/58/444794558.db2.gz DDCMTKKXQMIIPL-RKFFSXRUSA-N 1 2 327.406 1.541 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000342646940 444794563 /nfs/dbraw/zinc/79/45/63/444794563.db2.gz DDCMTKKXQMIIPL-RKFFSXRUSA-N 1 2 327.406 1.541 20 5 EDBDLO Cn1cc(C[NH2+]Cc2nncn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338713427 444817410 /nfs/dbraw/zinc/81/74/10/444817410.db2.gz JMYBQPMJNZMYPO-UHFFFAOYSA-N 1 2 327.348 1.414 20 5 EDBDLO CC(C)(C(=O)NCc1cn2ccccc2[nH+]1)n1cc([N+](=O)[O-])cn1 ZINC000338644989 444788694 /nfs/dbraw/zinc/78/86/94/444788694.db2.gz PVPMKVGOJKULKE-UHFFFAOYSA-N 1 2 328.332 1.491 20 5 EDBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)[NH+]1C ZINC000339073742 445020296 /nfs/dbraw/zinc/02/02/96/445020296.db2.gz MCRVMSCIZVJOJC-NXEZZACHSA-N 1 2 331.369 1.447 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339067982 445017583 /nfs/dbraw/zinc/01/75/83/445017583.db2.gz OUJOGYHPNNZCTD-TXEJJXNPSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339067982 445017585 /nfs/dbraw/zinc/01/75/85/445017585.db2.gz OUJOGYHPNNZCTD-TXEJJXNPSA-N 1 2 327.406 1.616 20 5 EDBDLO COC(=O)[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000348199472 445313528 /nfs/dbraw/zinc/31/35/28/445313528.db2.gz CPQXHEAMEKJDJC-CQSZACIVSA-N 1 2 349.343 1.434 20 5 EDBDLO C[C@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000351982333 445416524 /nfs/dbraw/zinc/41/65/24/445416524.db2.gz MYNNCMYLDASPOL-BLLLJJGKSA-N 1 2 345.403 1.766 20 5 EDBDLO C[C@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000351982333 445416527 /nfs/dbraw/zinc/41/65/27/445416527.db2.gz MYNNCMYLDASPOL-BLLLJJGKSA-N 1 2 345.403 1.766 20 5 EDBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000351925832 445379197 /nfs/dbraw/zinc/37/91/97/445379197.db2.gz MCLQLLTVKKVVBG-KPWVOAKYSA-N 1 2 325.390 1.376 20 5 EDBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000351925832 445379202 /nfs/dbraw/zinc/37/92/02/445379202.db2.gz MCLQLLTVKKVVBG-KPWVOAKYSA-N 1 2 325.390 1.376 20 5 EDBDLO C[C@@H](F)CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000352114530 445502184 /nfs/dbraw/zinc/50/21/84/445502184.db2.gz ZYCFAMVLRDZNMY-GFCCVEGCSA-N 1 2 345.396 1.649 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(NCCC[NH+]3CCOCC3)n2)cc1 ZINC000362816738 445563434 /nfs/dbraw/zinc/56/34/34/445563434.db2.gz DZHXAJYPGMUYDB-UHFFFAOYSA-N 1 2 333.348 1.779 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353510936 445636231 /nfs/dbraw/zinc/63/62/31/445636231.db2.gz AQJBZDMFWORJSM-RYUDHWBXSA-N 1 2 326.303 1.633 20 5 EDBDLO Cc1cccc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000372955923 445941676 /nfs/dbraw/zinc/94/16/76/445941676.db2.gz XGIKVEOZESGDRK-OAHLLOKOSA-N 1 2 332.404 1.694 20 5 EDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359018083 445889896 /nfs/dbraw/zinc/88/98/96/445889896.db2.gz IGINMJYLBUVEGS-NOZJJQNGSA-N 1 2 329.316 1.542 20 5 EDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359018083 445889897 /nfs/dbraw/zinc/88/98/97/445889897.db2.gz IGINMJYLBUVEGS-NOZJJQNGSA-N 1 2 329.316 1.542 20 5 EDBDLO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)n2)CC1 ZINC000365929578 445913152 /nfs/dbraw/zinc/91/31/52/445913152.db2.gz UBMPTZWANWTXJY-UHFFFAOYSA-N 1 2 345.359 2.016 20 5 EDBDLO CCOc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365188775 446071236 /nfs/dbraw/zinc/07/12/36/446071236.db2.gz GDDDHWPDIHZQCN-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CCOc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365188775 446071243 /nfs/dbraw/zinc/07/12/43/446071243.db2.gz GDDDHWPDIHZQCN-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000369350449 446092861 /nfs/dbraw/zinc/09/28/61/446092861.db2.gz UCPSBRLJBYJOQL-UHFFFAOYSA-N 1 2 330.348 1.258 20 5 EDBDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365263173 446110887 /nfs/dbraw/zinc/11/08/87/446110887.db2.gz CRLSCEBOIGFUNU-CMPLNLGQSA-N 1 2 332.368 1.511 20 5 EDBDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365263173 446110890 /nfs/dbraw/zinc/11/08/90/446110890.db2.gz CRLSCEBOIGFUNU-CMPLNLGQSA-N 1 2 332.368 1.511 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365518669 446238542 /nfs/dbraw/zinc/23/85/42/446238542.db2.gz BTDIRDHLLINITM-GFCCVEGCSA-N 1 2 332.364 1.239 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420452527 446628789 /nfs/dbraw/zinc/62/87/89/446628789.db2.gz WJOAOBYYETUCQR-JTQLQIEISA-N 1 2 349.359 1.426 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000375286882 446694702 /nfs/dbraw/zinc/69/47/02/446694702.db2.gz LEOSYVIEUBXRCI-CQSZACIVSA-N 1 2 328.328 1.377 20 5 EDBDLO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375409411 446781739 /nfs/dbraw/zinc/78/17/39/446781739.db2.gz UCSDFELYRKOUCU-NSHDSACASA-N 1 2 337.286 1.921 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCN(Cc4[nH]cc[nH+]4)CC3)nc2c1 ZINC000444645115 447114765 /nfs/dbraw/zinc/11/47/65/447114765.db2.gz XCMUYUNJRNNTQE-UHFFFAOYSA-N 1 2 341.375 1.512 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000457851210 447649571 /nfs/dbraw/zinc/64/95/71/447649571.db2.gz MXSHZWGSNAFEJX-WQVCFCJDSA-N 1 2 348.403 1.818 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000457851210 447649575 /nfs/dbraw/zinc/64/95/75/447649575.db2.gz MXSHZWGSNAFEJX-WQVCFCJDSA-N 1 2 348.403 1.818 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000408081686 447627525 /nfs/dbraw/zinc/62/75/25/447627525.db2.gz FJKAPMPPPBFQEY-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000408081686 447627531 /nfs/dbraw/zinc/62/75/31/447627531.db2.gz FJKAPMPPPBFQEY-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO O=C(NC[C@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451121322 447690903 /nfs/dbraw/zinc/69/09/03/447690903.db2.gz NXHGVYATMBERRG-AAEUAGOBSA-N 1 2 330.344 1.671 20 5 EDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000451934514 447790085 /nfs/dbraw/zinc/79/00/85/447790085.db2.gz CUASCBZPTJJSIU-JGVFFNPUSA-N 1 2 328.375 1.837 20 5 EDBDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000497312105 448065337 /nfs/dbraw/zinc/06/53/37/448065337.db2.gz HUCFWPMTIZCULW-LLVKDONJSA-N 1 2 325.369 1.381 20 5 EDBDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000497312105 448065343 /nfs/dbraw/zinc/06/53/43/448065343.db2.gz HUCFWPMTIZCULW-LLVKDONJSA-N 1 2 325.369 1.381 20 5 EDBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000591068325 448250950 /nfs/dbraw/zinc/25/09/50/448250950.db2.gz FVTFSIRBYPTNJX-YESZJQIVSA-N 1 2 345.399 1.631 20 5 EDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000591320787 448320716 /nfs/dbraw/zinc/32/07/16/448320716.db2.gz FFWYUMUTXHHBKD-GFCCVEGCSA-N 1 2 335.751 1.758 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000592040652 448643813 /nfs/dbraw/zinc/64/38/13/448643813.db2.gz VQNALKLXEKQZTH-NWDGAFQWSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000592040652 448643818 /nfs/dbraw/zinc/64/38/18/448643818.db2.gz VQNALKLXEKQZTH-NWDGAFQWSA-N 1 2 341.433 1.870 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000589736512 449057633 /nfs/dbraw/zinc/05/76/33/449057633.db2.gz GDZHLGXNCNYTGF-LBPRGKRZSA-N 1 2 344.314 1.831 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000589736512 449057637 /nfs/dbraw/zinc/05/76/37/449057637.db2.gz GDZHLGXNCNYTGF-LBPRGKRZSA-N 1 2 344.314 1.831 20 5 EDBDLO CO[C@@]1(CO)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595663702 449106756 /nfs/dbraw/zinc/10/67/56/449106756.db2.gz SOGINMFJRPXHNP-INIZCTEOSA-N 1 2 337.376 1.031 20 5 EDBDLO CO[C@@]1(CO)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595663702 449106763 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O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000739102732 579195022 /nfs/dbraw/zinc/19/50/22/579195022.db2.gz OTBLEXCLCMOXNQ-UHFFFAOYSA-N 1 2 349.734 1.426 20 5 EDBDLO CS(=O)(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750091783 579751681 /nfs/dbraw/zinc/75/16/81/579751681.db2.gz CGCUREPNRWDPOY-AWEZNQCLSA-N 1 2 328.390 1.137 20 5 EDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754492010 579904352 /nfs/dbraw/zinc/90/43/52/579904352.db2.gz BXPNZCOCANYJPB-UHFFFAOYSA-N 1 2 328.288 1.115 20 5 EDBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000755213131 579922900 /nfs/dbraw/zinc/92/29/00/579922900.db2.gz JXHSQSHMZRGUHY-FZDNWWAKSA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000755213131 579922901 /nfs/dbraw/zinc/92/29/01/579922901.db2.gz JXHSQSHMZRGUHY-FZDNWWAKSA-N 1 2 333.388 1.835 20 5 EDBDLO CC(C)(C(=O)OCc1cccc2[nH+]ccn21)n1cc([N+](=O)[O-])cn1 ZINC000770925851 580275405 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EDBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000792874883 580829873 /nfs/dbraw/zinc/82/98/73/580829873.db2.gz YPUNEXKAVOUHTM-MRXNPFEDSA-N 1 2 344.327 1.993 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794623130 580900059 /nfs/dbraw/zinc/90/00/59/580900059.db2.gz ILISRZLVKCAMDG-LBPRGKRZSA-N 1 2 348.359 1.308 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794623130 580900060 /nfs/dbraw/zinc/90/00/60/580900060.db2.gz ILISRZLVKCAMDG-LBPRGKRZSA-N 1 2 348.359 1.308 20 5 EDBDLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794630302 580900679 /nfs/dbraw/zinc/90/06/79/580900679.db2.gz FJWRGNJNQCUJEA-LLVKDONJSA-N 1 2 334.332 1.337 20 5 EDBDLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794630302 580900680 /nfs/dbraw/zinc/90/06/80/580900680.db2.gz FJWRGNJNQCUJEA-LLVKDONJSA-N 1 2 334.332 1.337 20 5 EDBDLO O=C1C[C@H]([NH+]2CCC(F)(F)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000794849840 580906915 /nfs/dbraw/zinc/90/69/15/580906915.db2.gz HEUCHFFOBRVNRW-LBPRGKRZSA-N 1 2 339.298 1.958 20 5 EDBDLO CCC(=O)c1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000795064684 580911820 /nfs/dbraw/zinc/91/18/20/580911820.db2.gz HNGPLSXONSPOFO-UHFFFAOYSA-N 1 2 334.376 1.549 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000796259425 580949365 /nfs/dbraw/zinc/94/93/65/580949365.db2.gz IPVYJSPMDGYVEL-PHIMTYICSA-N 1 2 338.364 1.461 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000796259425 580949366 /nfs/dbraw/zinc/94/93/66/580949366.db2.gz IPVYJSPMDGYVEL-PHIMTYICSA-N 1 2 338.364 1.461 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000800155586 581045409 /nfs/dbraw/zinc/04/54/09/581045409.db2.gz PJQXODGJFNISCW-NSHDSACASA-N 1 2 333.344 1.954 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000800155586 581045410 /nfs/dbraw/zinc/04/54/10/581045410.db2.gz PJQXODGJFNISCW-NSHDSACASA-N 1 2 333.344 1.954 20 5 EDBDLO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800213948 581047869 /nfs/dbraw/zinc/04/78/69/581047869.db2.gz CNCCLYBSKRTCIS-SNVBAGLBSA-N 1 2 339.348 1.063 20 5 EDBDLO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800213948 581047870 /nfs/dbraw/zinc/04/78/70/581047870.db2.gz CNCCLYBSKRTCIS-SNVBAGLBSA-N 1 2 339.348 1.063 20 5 EDBDLO CCn1ncnc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000801322153 581072707 /nfs/dbraw/zinc/07/27/07/581072707.db2.gz JEQGVCXSUWTMQR-UHFFFAOYSA-N 1 2 342.315 1.749 20 5 EDBDLO Cc1c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000899053706 591652309 /nfs/dbraw/zinc/65/23/09/591652309.db2.gz RLEFAUCUFVJCGV-UHFFFAOYSA-N 1 2 335.360 1.082 20 5 EDBDLO Cc1c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000899053706 591652311 /nfs/dbraw/zinc/65/23/11/591652311.db2.gz RLEFAUCUFVJCGV-UHFFFAOYSA-N 1 2 335.360 1.082 20 5 EDBDLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000902635698 592033044 /nfs/dbraw/zinc/03/30/44/592033044.db2.gz BDWWJLPKXFNKMU-JKSUJKDBSA-N 1 2 346.387 1.922 20 5 EDBDLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000902635698 592033045 /nfs/dbraw/zinc/03/30/45/592033045.db2.gz BDWWJLPKXFNKMU-JKSUJKDBSA-N 1 2 346.387 1.922 20 5 EDBDLO C/C(=C\C(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000901233455 592296664 /nfs/dbraw/zinc/29/66/64/592296664.db2.gz MFHXLQUBOJAUID-SDNWHVSQSA-N 1 2 333.388 1.532 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@](O)(C(F)F)C3)n2)cc1 ZINC000840119496 593202500 /nfs/dbraw/zinc/20/25/00/593202500.db2.gz RIEBBRNLHMWIQK-CQSZACIVSA-N 1 2 339.302 1.513 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@](O)(C(F)F)C3)n2)cc1 ZINC000840119496 593202502 /nfs/dbraw/zinc/20/25/02/593202502.db2.gz RIEBBRNLHMWIQK-CQSZACIVSA-N 1 2 339.302 1.513 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000808045579 593217792 /nfs/dbraw/zinc/21/77/92/593217792.db2.gz NEHCVHMNPKLZIM-LBPRGKRZSA-N 1 2 334.380 1.793 20 5 EDBDLO CC[N@H+](C[C@@H]1CCCO1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839967051 593253081 /nfs/dbraw/zinc/25/30/81/593253081.db2.gz LZZUUNMAXCKQFY-DOTOQJQBSA-N 1 2 349.387 1.990 20 5 EDBDLO CC[N@@H+](C[C@@H]1CCCO1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839967051 593253082 /nfs/dbraw/zinc/25/30/82/593253082.db2.gz LZZUUNMAXCKQFY-DOTOQJQBSA-N 1 2 349.387 1.990 20 5 EDBDLO CC[N@H+](C[C@H]1CCCO1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839967054 593253335 /nfs/dbraw/zinc/25/33/35/593253335.db2.gz LZZUUNMAXCKQFY-WBVHZDCISA-N 1 2 349.387 1.990 20 5 EDBDLO CC[N@@H+](C[C@H]1CCCO1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839967054 593253338 /nfs/dbraw/zinc/25/33/38/593253338.db2.gz LZZUUNMAXCKQFY-WBVHZDCISA-N 1 2 349.387 1.990 20 5 EDBDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)O1 ZINC000840272504 593512769 /nfs/dbraw/zinc/51/27/69/593512769.db2.gz OZBWPWQMEWFCMD-CAVOSLQRSA-N 1 2 333.388 1.900 20 5 EDBDLO Cn1cnc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813172130 593521572 /nfs/dbraw/zinc/52/15/72/593521572.db2.gz AHYLAXDORWMTGP-ZDUSSCGKSA-N 1 2 331.332 1.155 20 5 EDBDLO Cn1cnc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813172130 593521573 /nfs/dbraw/zinc/52/15/73/593521573.db2.gz AHYLAXDORWMTGP-ZDUSSCGKSA-N 1 2 331.332 1.155 20 5 EDBDLO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840456727 594007237 /nfs/dbraw/zinc/00/72/37/594007237.db2.gz PHUKLIHWYFRTGV-RBSFLKMASA-N 1 2 329.356 1.892 20 5 EDBDLO CN(C)c1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000824886582 594091088 /nfs/dbraw/zinc/09/10/88/594091088.db2.gz DNUUZTVAAVJUOK-OAHLLOKOSA-N 1 2 330.344 1.406 20 5 EDBDLO O=[N+]([O-])c1cnc(NCCNc2cccc[nH+]2)c(-c2nn[nH]n2)c1 ZINC000823651786 594224945 /nfs/dbraw/zinc/22/49/45/594224945.db2.gz QJHVWHTTYAFNHZ-UHFFFAOYSA-N 1 2 327.308 1.089 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830939985 594518185 /nfs/dbraw/zinc/51/81/85/594518185.db2.gz INAPHTRPXXKUBZ-NEPJUHHUSA-N 1 2 348.359 1.272 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830939985 594518189 /nfs/dbraw/zinc/51/81/89/594518189.db2.gz INAPHTRPXXKUBZ-NEPJUHHUSA-N 1 2 348.359 1.272 20 5 EDBDLO O=C(OC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000842377748 595089261 /nfs/dbraw/zinc/08/92/61/595089261.db2.gz FPUHGTNZWDKSSC-OAHLLOKOSA-N 1 2 333.300 1.089 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000857884394 595641109 /nfs/dbraw/zinc/64/11/09/595641109.db2.gz APVPNPSYPJKRJB-VIFPVBQESA-N 1 2 333.323 1.351 20 5 EDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886843 595642678 /nfs/dbraw/zinc/64/26/78/595642678.db2.gz JHCGEJMRRHQJPT-NSHDSACASA-N 1 2 345.315 1.373 20 5 EDBDLO C[C@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCNC1=O ZINC000853180572 595694654 /nfs/dbraw/zinc/69/46/54/595694654.db2.gz FEYNFQPKFDMZQQ-MRXNPFEDSA-N 1 2 344.327 1.464 20 5 EDBDLO C[N@H+](CCn1cccn1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000111168442 595709009 /nfs/dbraw/zinc/70/90/09/595709009.db2.gz RRXHPCBYYCVPIX-UHFFFAOYSA-N 1 2 327.348 1.639 20 5 EDBDLO C[N@@H+](CCn1cccn1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000111168442 595709012 /nfs/dbraw/zinc/70/90/12/595709012.db2.gz RRXHPCBYYCVPIX-UHFFFAOYSA-N 1 2 327.348 1.639 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433916 596159140 /nfs/dbraw/zinc/15/91/40/596159140.db2.gz CCUDWRQGGFJSRQ-RISCZKNCSA-N 1 2 348.359 1.448 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433916 596159141 /nfs/dbraw/zinc/15/91/41/596159141.db2.gz CCUDWRQGGFJSRQ-RISCZKNCSA-N 1 2 348.359 1.448 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433918 596159594 /nfs/dbraw/zinc/15/95/94/596159594.db2.gz CCUDWRQGGFJSRQ-SMDDNHRTSA-N 1 2 348.359 1.448 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433918 596159599 /nfs/dbraw/zinc/15/95/99/596159599.db2.gz CCUDWRQGGFJSRQ-SMDDNHRTSA-N 1 2 348.359 1.448 20 5 EDBDLO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000119160305 596442839 /nfs/dbraw/zinc/44/28/39/596442839.db2.gz BVUGVJXTSSYIOC-ISVAXAHUSA-N 1 2 329.303 1.322 20 5 EDBDLO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000119160305 596442844 /nfs/dbraw/zinc/44/28/44/596442844.db2.gz BVUGVJXTSSYIOC-ISVAXAHUSA-N 1 2 329.303 1.322 20 5 EDBDLO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H](C)[NH+]1CCOCC1 ZINC000865511893 596595178 /nfs/dbraw/zinc/59/51/78/596595178.db2.gz LFVIVJPZWIRHGR-GHMZBOCLSA-N 1 2 327.356 1.747 20 5 EDBDLO O=C(/C=C\C[NH+]1CCOCC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000866005007 596755262 /nfs/dbraw/zinc/75/52/62/596755262.db2.gz PRNNNSSHERCHBQ-HYXAFXHYSA-N 1 2 347.415 1.922 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)/C=C/C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000866374839 596868980 /nfs/dbraw/zinc/86/89/80/596868980.db2.gz OMLQFVOOEVVUEW-XGACYXMMSA-N 1 2 333.388 1.969 20 5 EDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120033890 596879746 /nfs/dbraw/zinc/87/97/46/596879746.db2.gz RILUPMVALLCQFB-UHFFFAOYSA-N 1 2 330.391 1.564 20 5 EDBDLO Cc1nn(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c2ncc([N+](=O)[O-])cc12 ZINC000872674745 597026382 /nfs/dbraw/zinc/02/63/82/597026382.db2.gz OKDYMYNYZPXHPJ-AWEZNQCLSA-N 1 2 346.391 1.548 20 5 EDBDLO Cc1nn(C[N@H+](C)[C@H]2CCCCN(C)C2=O)c2ncc([N+](=O)[O-])cc12 ZINC000872674745 597026386 /nfs/dbraw/zinc/02/63/86/597026386.db2.gz OKDYMYNYZPXHPJ-AWEZNQCLSA-N 1 2 346.391 1.548 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000874699551 597142076 /nfs/dbraw/zinc/14/20/76/597142076.db2.gz SGJJJPSRSNARML-CYBMUJFWSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000874699551 597142078 /nfs/dbraw/zinc/14/20/78/597142078.db2.gz SGJJJPSRSNARML-CYBMUJFWSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874700953 597144116 /nfs/dbraw/zinc/14/41/16/597144116.db2.gz PFDJGCIJRZAEGF-CYBMUJFWSA-N 1 2 337.376 1.201 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874700953 597144118 /nfs/dbraw/zinc/14/41/18/597144118.db2.gz PFDJGCIJRZAEGF-CYBMUJFWSA-N 1 2 337.376 1.201 20 5 EDBDLO CCS(=O)(=O)N1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876563657 597241584 /nfs/dbraw/zinc/24/15/84/597241584.db2.gz BPGSFYTUFNHDJL-UHFFFAOYSA-N 1 2 341.433 1.679 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000882010981 597840488 /nfs/dbraw/zinc/84/04/88/597840488.db2.gz PQCPEXFJBIQBIC-UHFFFAOYSA-N 1 2 333.797 1.541 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCc3ncncc3C2)c([N+](=O)[O-])c1 ZINC000880595359 597976104 /nfs/dbraw/zinc/97/61/04/597976104.db2.gz PSSXFSGQBSKNSP-UHFFFAOYSA-N 1 2 330.344 1.831 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCc3ncncc3C2)c([N+](=O)[O-])c1 ZINC000880595359 597976106 /nfs/dbraw/zinc/97/61/06/597976106.db2.gz PSSXFSGQBSKNSP-UHFFFAOYSA-N 1 2 330.344 1.831 20 5 EDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000882765396 598048466 /nfs/dbraw/zinc/04/84/66/598048466.db2.gz YQSXSMLJIXAUQV-GFCCVEGCSA-N 1 2 327.406 1.584 20 5 EDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000882765396 598048470 /nfs/dbraw/zinc/04/84/70/598048470.db2.gz YQSXSMLJIXAUQV-GFCCVEGCSA-N 1 2 327.406 1.584 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000919591350 697301901 /nfs/dbraw/zinc/30/19/01/697301901.db2.gz VVASRGKVAQQKLL-CQSZACIVSA-N 1 2 341.433 1.946 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000919591350 697301902 /nfs/dbraw/zinc/30/19/02/697301902.db2.gz VVASRGKVAQQKLL-CQSZACIVSA-N 1 2 341.433 1.946 20 5 EDBDLO O=C(NCC1C[NH+](Cc2cc(O)ccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662848 697440003 /nfs/dbraw/zinc/44/00/03/697440003.db2.gz NSJWSPRHWNRHOL-TZMCWYRMSA-N 1 2 339.779 1.259 20 5 EDBDLO O=C(NCC1C[NH+](Cc2cccc(C(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663097 697440214 /nfs/dbraw/zinc/44/02/14/697440214.db2.gz TVLNJHPDFVMMMP-ZIAGYGMSSA-N 1 2 339.342 1.837 20 5 EDBDLO CCc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001002789831 709384408 /nfs/dbraw/zinc/38/44/08/709384408.db2.gz XKZJOJOHPNCNQP-CHWSQXEVSA-N 1 2 338.433 1.451 20 5 EDBDLO O=C(NC1CC[NH+](Cc2coc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787917 709394143 /nfs/dbraw/zinc/39/41/43/709394143.db2.gz KXSFDMINDXKUEG-ZIAGYGMSSA-N 1 2 334.376 1.298 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000051823667 214105578 /nfs/dbraw/zinc/10/55/78/214105578.db2.gz NYISYLKEDHOXOQ-GFCCVEGCSA-N 1 2 339.417 1.983 20 5 EDBDLO CCc1n[nH]c(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000171809764 529467099 /nfs/dbraw/zinc/46/70/99/529467099.db2.gz KWGJHSMKAGAUDE-UHFFFAOYSA-N 1 2 332.364 1.897 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078189454 138256548 /nfs/dbraw/zinc/25/65/48/138256548.db2.gz BPHJMHXPXGAQGJ-CQSZACIVSA-N 1 2 333.388 1.922 20 5 EDBDLO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000130119901 138339949 /nfs/dbraw/zinc/33/99/49/138339949.db2.gz LHWRKRMVIKFAPR-NSHDSACASA-N 1 2 325.340 1.113 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000110923817 220080822 /nfs/dbraw/zinc/08/08/22/220080822.db2.gz NKUREOKCWJUNSD-UHFFFAOYSA-N 1 2 347.375 1.265 20 5 EDBDLO COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000080917791 217339635 /nfs/dbraw/zinc/33/96/35/217339635.db2.gz QWVPBTNYGOMZPN-AWEZNQCLSA-N 1 2 349.387 1.540 20 5 EDBDLO COC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000266043081 248057833 /nfs/dbraw/zinc/05/78/33/248057833.db2.gz 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O=C(NCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000263765531 139358864 /nfs/dbraw/zinc/35/88/64/139358864.db2.gz DWLNNFYCEJZBTD-UHFFFAOYSA-N 1 2 345.315 1.966 20 5 EDBDLO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000264022676 139376275 /nfs/dbraw/zinc/37/62/75/139376275.db2.gz PGTJVLLHHVBPGI-SNVBAGLBSA-N 1 2 339.377 1.187 20 5 EDBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000267547493 139631497 /nfs/dbraw/zinc/63/14/97/139631497.db2.gz QZDUXQFUZCIPGB-ZWNOBZJWSA-N 1 2 326.784 1.800 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000571758882 306573743 /nfs/dbraw/zinc/57/37/43/306573743.db2.gz ZQUNQNZQMSWEDY-UHFFFAOYSA-N 1 2 336.373 1.558 20 5 EDBDLO C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271708592 140337380 /nfs/dbraw/zinc/33/73/80/140337380.db2.gz OYFHQPNBGDGNOC-CHWSQXEVSA-N 1 2 335.408 1.201 20 5 EDBDLO C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271708592 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347.375 1.264 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000279303880 273291835 /nfs/dbraw/zinc/29/18/35/273291835.db2.gz MSUZOIBIMIXARL-CYBMUJFWSA-N 1 2 336.392 1.186 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000280988092 273422732 /nfs/dbraw/zinc/42/27/32/273422732.db2.gz OECSMOIZGBTTMB-SNVBAGLBSA-N 1 2 333.348 1.376 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091506765 274220109 /nfs/dbraw/zinc/22/01/09/274220109.db2.gz JCFCPKBDCIRONY-HNNXBMFYSA-N 1 2 334.420 1.438 20 5 EDBDLO COc1cncc(N2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000363417339 278076113 /nfs/dbraw/zinc/07/61/13/278076113.db2.gz HJNKNAXDTUKTQW-UHFFFAOYSA-N 1 2 347.350 1.855 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286491291 288018671 /nfs/dbraw/zinc/01/86/71/288018671.db2.gz LLSZSIVADVHMID-BBRMVZONSA-N 1 2 348.403 1.599 20 5 EDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 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C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000279025777 443494277 /nfs/dbraw/zinc/49/42/77/443494277.db2.gz ABJKGDHRYWNVDA-JTQLQIEISA-N 1 2 340.355 1.109 20 5 EDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000265362705 443616762 /nfs/dbraw/zinc/61/67/62/443616762.db2.gz XVRHLGPXHSEORF-ZDUSSCGKSA-N 1 2 344.375 1.092 20 5 EDBDLO CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)COC1 ZINC000456476363 320307973 /nfs/dbraw/zinc/30/79/73/320307973.db2.gz WAIOTWCFIGAXCK-UHFFFAOYSA-N 1 2 330.344 1.937 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000280287133 443691549 /nfs/dbraw/zinc/69/15/49/443691549.db2.gz WWGGLWQZHSWGLS-KRWDZBQOSA-N 1 2 347.415 1.897 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000280287133 443691552 /nfs/dbraw/zinc/69/15/52/443691552.db2.gz WWGGLWQZHSWGLS-KRWDZBQOSA-N 1 2 347.415 1.897 20 5 EDBDLO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000276831225 443844413 /nfs/dbraw/zinc/84/44/13/443844413.db2.gz BLHGEHCGXVGXEK-GASCZTMLSA-N 1 2 326.349 1.458 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000276831225 443844417 /nfs/dbraw/zinc/84/44/17/443844417.db2.gz BLHGEHCGXVGXEK-GASCZTMLSA-N 1 2 326.349 1.458 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000298776621 443865462 /nfs/dbraw/zinc/86/54/62/443865462.db2.gz WOJMSGQMVBZKHQ-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000285483528 444002187 /nfs/dbraw/zinc/00/21/87/444002187.db2.gz QXPZAXHSGUSRNN-APHBMKBZSA-N 1 2 348.403 1.770 20 5 EDBDLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000285483528 444002191 /nfs/dbraw/zinc/00/21/91/444002191.db2.gz QXPZAXHSGUSRNN-APHBMKBZSA-N 1 2 348.403 1.770 20 5 EDBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000277870859 444055131 /nfs/dbraw/zinc/05/51/31/444055131.db2.gz VGBCEQYQQDAWGC-UHFFFAOYSA-N 1 2 332.316 1.246 20 5 EDBDLO Cc1ccnc(NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000301248124 444157794 /nfs/dbraw/zinc/15/77/94/444157794.db2.gz BINXQCNWFOPDQD-UHFFFAOYSA-N 1 2 343.391 1.322 20 5 EDBDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000285832441 444123389 /nfs/dbraw/zinc/12/33/89/444123389.db2.gz WYWMNKRPLZNXPM-STQMWFEESA-N 1 2 336.352 1.071 20 5 EDBDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000285832441 444123393 /nfs/dbraw/zinc/12/33/93/444123393.db2.gz WYWMNKRPLZNXPM-STQMWFEESA-N 1 2 336.352 1.071 20 5 EDBDLO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290378638 444273358 /nfs/dbraw/zinc/27/33/58/444273358.db2.gz BUJIGDDYTFFTPO-UHFFFAOYSA-N 1 2 338.408 1.256 20 5 EDBDLO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290378638 444273362 /nfs/dbraw/zinc/27/33/62/444273362.db2.gz BUJIGDDYTFFTPO-UHFFFAOYSA-N 1 2 338.408 1.256 20 5 EDBDLO CN(CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290378638 444273364 /nfs/dbraw/zinc/27/33/64/444273364.db2.gz BUJIGDDYTFFTPO-UHFFFAOYSA-N 1 2 338.408 1.256 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305756106 444278428 /nfs/dbraw/zinc/27/84/28/444278428.db2.gz AWNYCCHCJAFCFY-KCJUWKMLSA-N 1 2 335.282 1.777 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305756106 444278429 /nfs/dbraw/zinc/27/84/29/444278429.db2.gz AWNYCCHCJAFCFY-KCJUWKMLSA-N 1 2 335.282 1.777 20 5 EDBDLO COC(=O)c1cc(C)nc(NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000339968364 444345608 /nfs/dbraw/zinc/34/56/08/444345608.db2.gz ALRZLKGKLJVHLB-JTQLQIEISA-N 1 2 333.348 2.030 20 5 EDBDLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330990321 444349108 /nfs/dbraw/zinc/34/91/08/444349108.db2.gz HDUUGYYEYWTSAC-NPMABZOXSA-N 1 2 342.417 1.177 20 5 EDBDLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330990321 444349113 /nfs/dbraw/zinc/34/91/13/444349113.db2.gz HDUUGYYEYWTSAC-NPMABZOXSA-N 1 2 342.417 1.177 20 5 EDBDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000337706967 444364623 /nfs/dbraw/zinc/36/46/23/444364623.db2.gz KNQQAXDAKSSPIO-UHFFFAOYSA-N 1 2 346.391 1.159 20 5 EDBDLO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1=O ZINC000331133657 444409464 /nfs/dbraw/zinc/40/94/64/444409464.db2.gz CEMULWGNTOEQSL-BZPMIXESSA-N 1 2 342.417 1.176 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000342357303 444652890 /nfs/dbraw/zinc/65/28/90/444652890.db2.gz RRGCDTNFMJHTAS-LLVKDONJSA-N 1 2 346.347 1.148 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000342357303 444652895 /nfs/dbraw/zinc/65/28/95/444652895.db2.gz RRGCDTNFMJHTAS-LLVKDONJSA-N 1 2 346.347 1.148 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000342646939 444794450 /nfs/dbraw/zinc/79/44/50/444794450.db2.gz DDCMTKKXQMIIPL-KPWVOAKYSA-N 1 2 327.406 1.541 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000342646939 444794454 /nfs/dbraw/zinc/79/44/54/444794454.db2.gz DDCMTKKXQMIIPL-KPWVOAKYSA-N 1 2 327.406 1.541 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339066778 445017577 /nfs/dbraw/zinc/01/75/77/445017577.db2.gz KDSUQWUEJMLZBR-GHMZBOCLSA-N 1 2 327.406 1.616 20 5 EDBDLO CC(=O)c1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000342122567 445184736 /nfs/dbraw/zinc/18/47/36/445184736.db2.gz FOTMEPCEFUMNKR-UHFFFAOYSA-N 1 2 329.360 1.843 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348676664 445346455 /nfs/dbraw/zinc/34/64/55/445346455.db2.gz DRKCYWXWOWYSHT-SNVBAGLBSA-N 1 2 341.327 1.864 20 5 EDBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000359658994 445361551 /nfs/dbraw/zinc/36/15/51/445361551.db2.gz FZJVXQRQXGELCP-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000359658994 445361555 /nfs/dbraw/zinc/36/15/55/445361555.db2.gz FZJVXQRQXGELCP-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EDBDLO CN(C)C(=O)NCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348917673 445440597 /nfs/dbraw/zinc/44/05/97/445440597.db2.gz JELJTMJPNFVCFH-UHFFFAOYSA-N 1 2 347.375 1.953 20 5 EDBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348917673 445440602 /nfs/dbraw/zinc/44/06/02/445440602.db2.gz JELJTMJPNFVCFH-UHFFFAOYSA-N 1 2 347.375 1.953 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000362828479 445570109 /nfs/dbraw/zinc/57/01/09/445570109.db2.gz TXHIOKGFHJKBRY-LBPRGKRZSA-N 1 2 338.314 1.489 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000362828479 445570111 /nfs/dbraw/zinc/57/01/11/445570111.db2.gz TXHIOKGFHJKBRY-LBPRGKRZSA-N 1 2 338.314 1.489 20 5 EDBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000362995031 445642935 /nfs/dbraw/zinc/64/29/35/445642935.db2.gz UHRFTQKRTUMBIO-UEKVPHQBSA-N 1 2 339.342 1.711 20 5 EDBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000362995031 445642939 /nfs/dbraw/zinc/64/29/39/445642939.db2.gz UHRFTQKRTUMBIO-UEKVPHQBSA-N 1 2 339.342 1.711 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000356151628 445649872 /nfs/dbraw/zinc/64/98/72/445649872.db2.gz QATJOBZSKGTGJN-UHFFFAOYSA-N 1 2 340.343 1.503 20 5 EDBDLO Cn1ccc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000353623684 445680804 /nfs/dbraw/zinc/68/08/04/445680804.db2.gz RKQQSYWUKLPNQP-OAHLLOKOSA-N 1 2 326.360 1.941 20 5 EDBDLO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000353649088 445692052 /nfs/dbraw/zinc/69/20/52/445692052.db2.gz XCMFVMBPSYZPDT-MRXNPFEDSA-N 1 2 331.376 1.704 20 5 EDBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000353649088 445692054 /nfs/dbraw/zinc/69/20/54/445692054.db2.gz XCMFVMBPSYZPDT-MRXNPFEDSA-N 1 2 331.376 1.704 20 5 EDBDLO O=[N+]([O-])c1cnn(CCc2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000350333318 445813622 /nfs/dbraw/zinc/81/36/22/445813622.db2.gz BRVWCSYXQADHQT-AAEUAGOBSA-N 1 2 348.363 1.343 20 5 EDBDLO O=[N+]([O-])c1cnn(CCc2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000350333318 445813628 /nfs/dbraw/zinc/81/36/28/445813628.db2.gz BRVWCSYXQADHQT-AAEUAGOBSA-N 1 2 348.363 1.343 20 5 EDBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361585137 445833218 /nfs/dbraw/zinc/83/32/18/445833218.db2.gz HHJQQLWZWTYHBK-BXUZGUMPSA-N 1 2 348.359 1.617 20 5 EDBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361585137 445833220 /nfs/dbraw/zinc/83/32/20/445833220.db2.gz HHJQQLWZWTYHBK-BXUZGUMPSA-N 1 2 348.359 1.617 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582707309 325907135 /nfs/dbraw/zinc/90/71/35/325907135.db2.gz OQAVDZTYDTUFHP-SECBINFHSA-N 1 2 325.350 1.246 20 5 EDBDLO C[C@@H]1C[C@H]1C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000582881046 325947947 /nfs/dbraw/zinc/94/79/47/325947947.db2.gz LKIJSNHNENJJGF-OLZOCXBDSA-N 1 2 339.417 1.557 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000373069903 446006317 /nfs/dbraw/zinc/00/63/17/446006317.db2.gz LSJZIFVACAKSAU-GFCCVEGCSA-N 1 2 332.364 1.321 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369355858 446098132 /nfs/dbraw/zinc/09/81/32/446098132.db2.gz ZAIBYXCUMDWHLX-CYBMUJFWSA-N 1 2 346.391 1.630 20 5 EDBDLO CC(C)c1nnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000373244311 446118176 /nfs/dbraw/zinc/11/81/76/446118176.db2.gz QEVQACUERWLBBE-UHFFFAOYSA-N 1 2 333.396 1.880 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000366308805 446142457 /nfs/dbraw/zinc/14/24/57/446142457.db2.gz NPWLNCZKBUJAPW-SECBINFHSA-N 1 2 347.350 1.810 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000366308805 446142463 /nfs/dbraw/zinc/14/24/63/446142463.db2.gz NPWLNCZKBUJAPW-SECBINFHSA-N 1 2 347.350 1.810 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000366444714 446218218 /nfs/dbraw/zinc/21/82/18/446218218.db2.gz STUIXKPQNMEOCR-LBPRGKRZSA-N 1 2 337.351 1.671 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C2 ZINC000365602956 446270473 /nfs/dbraw/zinc/27/04/73/446270473.db2.gz QLVCEOUJIQNSKQ-CYBMUJFWSA-N 1 2 343.387 1.667 20 5 EDBDLO C[N@@H+]1CC[C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052785 446545839 /nfs/dbraw/zinc/54/58/39/446545839.db2.gz ZPSADYPGPLFTMA-ONGXEEELSA-N 1 2 345.446 1.590 20 5 EDBDLO C[N@H+]1CC[C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052785 446545847 /nfs/dbraw/zinc/54/58/47/446545847.db2.gz ZPSADYPGPLFTMA-ONGXEEELSA-N 1 2 345.446 1.590 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367479612 446551872 /nfs/dbraw/zinc/55/18/72/446551872.db2.gz DMVHAUCAQBSVGC-NSHDSACASA-N 1 2 335.332 1.131 20 5 EDBDLO COc1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc([N+](=O)[O-])c1C ZINC000423698819 446646464 /nfs/dbraw/zinc/64/64/64/446646464.db2.gz OICKVSHYWNUPMG-LLVKDONJSA-N 1 2 343.330 1.886 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000368110839 446648200 /nfs/dbraw/zinc/64/82/00/446648200.db2.gz FBQCAUSAQCHIDL-GXTWGEPZSA-N 1 2 336.348 1.150 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000368110839 446648203 /nfs/dbraw/zinc/64/82/03/446648203.db2.gz FBQCAUSAQCHIDL-GXTWGEPZSA-N 1 2 336.348 1.150 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Nc3ccc4nccn4n3)C2)cs1 ZINC000434540807 446649207 /nfs/dbraw/zinc/64/92/07/446649207.db2.gz POOWLPZJHJHFKF-GFCCVEGCSA-N 1 2 344.400 2.385 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Nc3ccc4nccn4n3)C2)cs1 ZINC000434540807 446649217 /nfs/dbraw/zinc/64/92/17/446649217.db2.gz POOWLPZJHJHFKF-GFCCVEGCSA-N 1 2 344.400 2.385 20 5 EDBDLO COc1cccc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000375379716 446758673 /nfs/dbraw/zinc/75/86/73/446758673.db2.gz TULKSNWKJDAKES-CQSZACIVSA-N 1 2 348.403 1.394 20 5 EDBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000375381976 446759715 /nfs/dbraw/zinc/75/97/15/446759715.db2.gz VLMJEWKORWNIQU-GJZGRUSLSA-N 1 2 349.387 1.674 20 5 EDBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375390418 446766932 /nfs/dbraw/zinc/76/69/32/446766932.db2.gz ITLDRQMPKZLOMS-VHSXEESVSA-N 1 2 349.313 1.495 20 5 EDBDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375390418 446766938 /nfs/dbraw/zinc/76/69/38/446766938.db2.gz ITLDRQMPKZLOMS-VHSXEESVSA-N 1 2 349.313 1.495 20 5 EDBDLO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000412066069 446828021 /nfs/dbraw/zinc/82/80/21/446828021.db2.gz FGZOPXHQISODLR-LLVKDONJSA-N 1 2 326.374 1.638 20 5 EDBDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000412066069 446828026 /nfs/dbraw/zinc/82/80/26/446828026.db2.gz FGZOPXHQISODLR-LLVKDONJSA-N 1 2 326.374 1.638 20 5 EDBDLO COc1cc(OCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000371358883 446803485 /nfs/dbraw/zinc/80/34/85/446803485.db2.gz DVUHBSNOZDJYDU-SNVBAGLBSA-N 1 2 346.343 1.379 20 5 EDBDLO COc1cc(OCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000371358883 446803492 /nfs/dbraw/zinc/80/34/92/446803492.db2.gz DVUHBSNOZDJYDU-SNVBAGLBSA-N 1 2 346.343 1.379 20 5 EDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954867 446927876 /nfs/dbraw/zinc/92/78/76/446927876.db2.gz KKGGMFYXOFOFBL-ZDUSSCGKSA-N 1 2 330.344 1.960 20 5 EDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420954867 446927878 /nfs/dbraw/zinc/92/78/78/446927878.db2.gz KKGGMFYXOFOFBL-ZDUSSCGKSA-N 1 2 330.344 1.960 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCCc1cn2c([nH+]1)CCCC2 ZINC000372537224 447119917 /nfs/dbraw/zinc/11/99/17/447119917.db2.gz WHELTQBHSULZAC-UHFFFAOYSA-N 1 2 332.364 1.073 20 5 EDBDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000368908600 447196888 /nfs/dbraw/zinc/19/68/88/447196888.db2.gz CBNKYQCJJQIMEV-INIZCTEOSA-N 1 2 333.388 1.808 20 5 EDBDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000368908600 447196893 /nfs/dbraw/zinc/19/68/93/447196893.db2.gz CBNKYQCJJQIMEV-INIZCTEOSA-N 1 2 333.388 1.808 20 5 EDBDLO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377584129 447222802 /nfs/dbraw/zinc/22/28/02/447222802.db2.gz ROMKYJAXZWPGKO-LBPRGKRZSA-N 1 2 349.387 1.531 20 5 EDBDLO CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368973460 447236922 /nfs/dbraw/zinc/23/69/22/447236922.db2.gz KHAGRBVSRFCEMM-PEYYIBSZSA-N 1 2 346.387 1.143 20 5 EDBDLO CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368973460 447236926 /nfs/dbraw/zinc/23/69/26/447236926.db2.gz KHAGRBVSRFCEMM-PEYYIBSZSA-N 1 2 346.387 1.143 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369036165 447281170 /nfs/dbraw/zinc/28/11/70/447281170.db2.gz QAPYBLCARGPLPC-BDJLRTHQSA-N 1 2 348.359 1.496 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369036165 447281172 /nfs/dbraw/zinc/28/11/72/447281172.db2.gz QAPYBLCARGPLPC-BDJLRTHQSA-N 1 2 348.359 1.496 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408338439 447652374 /nfs/dbraw/zinc/65/23/74/447652374.db2.gz ZNGMLZNXZBZIDQ-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408338439 447652376 /nfs/dbraw/zinc/65/23/76/447652376.db2.gz ZNGMLZNXZBZIDQ-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC(n2cc[nH+]c2)C1 ZINC000524771589 447950759 /nfs/dbraw/zinc/95/07/59/447950759.db2.gz LFNYZCAYWSMQKP-UHFFFAOYSA-N 1 2 344.327 1.189 20 5 EDBDLO O=C(C[N@@H+]1CCOC[C@@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000576581542 448090218 /nfs/dbraw/zinc/09/02/18/448090218.db2.gz JJVBKSFEZZCNQK-QGZVFWFLSA-N 1 2 345.399 1.985 20 5 EDBDLO O=C(C[N@H+]1CCOC[C@@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000576581542 448090222 /nfs/dbraw/zinc/09/02/22/448090222.db2.gz JJVBKSFEZZCNQK-QGZVFWFLSA-N 1 2 345.399 1.985 20 5 EDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000591320788 448321237 /nfs/dbraw/zinc/32/12/37/448321237.db2.gz FFWYUMUTXHHBKD-LBPRGKRZSA-N 1 2 335.751 1.758 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000492767513 448285681 /nfs/dbraw/zinc/28/56/81/448285681.db2.gz CQRIDLAPOROIKW-BYQDXSGLSA-N 1 2 349.362 1.679 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000492767513 448285688 /nfs/dbraw/zinc/28/56/88/448285688.db2.gz CQRIDLAPOROIKW-BYQDXSGLSA-N 1 2 349.362 1.679 20 5 EDBDLO CCCCn1nnnc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379809 448394844 /nfs/dbraw/zinc/39/48/44/448394844.db2.gz BWLMQHOQEPFIJE-LBPRGKRZSA-N 1 2 346.395 1.463 20 5 EDBDLO CCCCn1nnnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533379809 448394850 /nfs/dbraw/zinc/39/48/50/448394850.db2.gz BWLMQHOQEPFIJE-LBPRGKRZSA-N 1 2 346.395 1.463 20 5 EDBDLO COc1cc(C[NH+]2CC(C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000592136144 448702118 /nfs/dbraw/zinc/70/21/18/448702118.db2.gz FRQCGZYGVACCEA-UHFFFAOYSA-N 1 2 345.302 1.512 20 5 EDBDLO Nc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588005894 448854864 /nfs/dbraw/zinc/85/48/64/448854864.db2.gz ZDQAIXGGGTWRIP-GFCCVEGCSA-N 1 2 329.360 1.755 20 5 EDBDLO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CCO2 ZINC000592898608 449042812 /nfs/dbraw/zinc/04/28/12/449042812.db2.gz JHKFEFFOATXONQ-UHFFFAOYSA-N 1 2 335.360 1.237 20 5 EDBDLO COC[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000597893506 449135158 /nfs/dbraw/zinc/13/51/58/449135158.db2.gz FFMPJFJVLYIEAN-ZDUSSCGKSA-N 1 2 348.359 1.562 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611083626 449161598 /nfs/dbraw/zinc/16/15/98/449161598.db2.gz PLYWSQOPKONBBY-SNVBAGLBSA-N 1 2 347.824 1.963 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611083626 449161604 /nfs/dbraw/zinc/16/16/04/449161604.db2.gz PLYWSQOPKONBBY-SNVBAGLBSA-N 1 2 347.824 1.963 20 5 EDBDLO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000590388848 449144167 /nfs/dbraw/zinc/14/41/67/449144167.db2.gz OPYWPJBNNCDIOQ-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000590388848 449144170 /nfs/dbraw/zinc/14/41/70/449144170.db2.gz OPYWPJBNNCDIOQ-LBPRGKRZSA-N 1 2 349.387 1.626 20 5 EDBDLO Cc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCOCC2)o1 ZINC000590571851 449196099 /nfs/dbraw/zinc/19/60/99/449196099.db2.gz JMIJHPGKHBKPTR-ZDUSSCGKSA-N 1 2 347.375 1.959 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590599428 449213245 /nfs/dbraw/zinc/21/32/45/449213245.db2.gz GPXKPORYJXNGQK-UHFFFAOYSA-N 1 2 336.373 1.150 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nccnc2C1 ZINC000595865844 449217272 /nfs/dbraw/zinc/21/72/72/449217272.db2.gz XYBFGHHORZMTJQ-LBPRGKRZSA-N 1 2 330.344 1.183 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2nccnc2C1 ZINC000595865844 449217279 /nfs/dbraw/zinc/21/72/79/449217279.db2.gz XYBFGHHORZMTJQ-LBPRGKRZSA-N 1 2 330.344 1.183 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597997542 449182177 /nfs/dbraw/zinc/18/21/77/449182177.db2.gz MSJNAUNWYCCAGK-STQMWFEESA-N 1 2 335.404 1.996 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597997542 449182182 /nfs/dbraw/zinc/18/21/82/449182182.db2.gz MSJNAUNWYCCAGK-STQMWFEESA-N 1 2 335.404 1.996 20 5 EDBDLO COC(=O)c1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000590551968 449186903 /nfs/dbraw/zinc/18/69/03/449186903.db2.gz ASYKXMFSYVATAK-UHFFFAOYSA-N 1 2 330.300 1.303 20 5 EDBDLO COC(=O)c1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000590551968 449186912 /nfs/dbraw/zinc/18/69/12/449186912.db2.gz ASYKXMFSYVATAK-UHFFFAOYSA-N 1 2 330.300 1.303 20 5 EDBDLO Cc1cccn2cc(CCNc3ccc4ncc([N+](=O)[O-])n4n3)[nH+]c12 ZINC000611153170 449188958 /nfs/dbraw/zinc/18/89/58/449188958.db2.gz RSNAKRWHMLHEAJ-UHFFFAOYSA-N 1 2 337.343 2.248 20 5 EDBDLO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C(N)=O)O1 ZINC000600192718 449236328 /nfs/dbraw/zinc/23/63/28/449236328.db2.gz JQLIKYWSJBVLQS-ZBEGNZNMSA-N 1 2 345.355 1.929 20 5 EDBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C(N)=O)O1 ZINC000600192718 449236333 /nfs/dbraw/zinc/23/63/33/449236333.db2.gz JQLIKYWSJBVLQS-ZBEGNZNMSA-N 1 2 345.355 1.929 20 5 EDBDLO Cc1nn(C)c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000604481368 449237041 /nfs/dbraw/zinc/23/70/41/449237041.db2.gz KNSSPFSZMNXOCD-UHFFFAOYSA-N 1 2 329.360 1.382 20 5 EDBDLO C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000611383725 449277548 /nfs/dbraw/zinc/27/75/48/449277548.db2.gz PZVVNYJWUJGPDM-VIFPVBQESA-N 1 2 328.332 1.828 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596073994 449349145 /nfs/dbraw/zinc/34/91/45/449349145.db2.gz PMJVLGSJJDXVNY-UHFFFAOYSA-N 1 2 326.422 1.613 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596073994 449349152 /nfs/dbraw/zinc/34/91/52/449349152.db2.gz PMJVLGSJJDXVNY-UHFFFAOYSA-N 1 2 326.422 1.613 20 5 EDBDLO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076960 449350558 /nfs/dbraw/zinc/35/05/58/449350558.db2.gz DVKBOUAQHQUPPI-GFCCVEGCSA-N 1 2 335.408 1.132 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602373328 449548661 /nfs/dbraw/zinc/54/86/61/449548661.db2.gz QXMVZNZGGKYIHU-MRXNPFEDSA-N 1 2 348.403 1.599 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602373328 449548664 /nfs/dbraw/zinc/54/86/64/449548664.db2.gz QXMVZNZGGKYIHU-MRXNPFEDSA-N 1 2 348.403 1.599 20 5 EDBDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553256 449550247 /nfs/dbraw/zinc/55/02/47/449550247.db2.gz XMLCSYIIZMSNNU-MRXNPFEDSA-N 1 2 342.403 1.613 20 5 EDBDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596553256 449550252 /nfs/dbraw/zinc/55/02/52/449550252.db2.gz XMLCSYIIZMSNNU-MRXNPFEDSA-N 1 2 342.403 1.613 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596452140 449509413 /nfs/dbraw/zinc/50/94/13/449509413.db2.gz DMTLWAZDGOVOSY-WDEREUQCSA-N 1 2 340.355 1.965 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596452140 449509421 /nfs/dbraw/zinc/50/94/21/449509421.db2.gz DMTLWAZDGOVOSY-WDEREUQCSA-N 1 2 340.355 1.965 20 5 EDBDLO CN(Cc1cn(C)nn1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596483737 449524581 /nfs/dbraw/zinc/52/45/81/449524581.db2.gz JNERWBDFSUNDQH-UHFFFAOYSA-N 1 2 346.391 1.192 20 5 EDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000598945433 449662757 /nfs/dbraw/zinc/66/27/57/449662757.db2.gz BXKHJJPJHHHSKL-SNVBAGLBSA-N 1 2 344.327 1.307 20 5 EDBDLO O=C1NC(=O)C2(CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)N1 ZINC000599023033 449702761 /nfs/dbraw/zinc/70/27/61/449702761.db2.gz QHHIGNCBCXPIEK-UHFFFAOYSA-N 1 2 341.327 1.321 20 5 EDBDLO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1C[N@H+](C)CCO1 ZINC000601130676 449706038 /nfs/dbraw/zinc/70/60/38/449706038.db2.gz ASSYRRQXKDSNRH-JGVFFNPUSA-N 1 2 337.302 1.478 20 5 EDBDLO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000601130676 449706045 /nfs/dbraw/zinc/70/60/45/449706045.db2.gz ASSYRRQXKDSNRH-JGVFFNPUSA-N 1 2 337.302 1.478 20 5 EDBDLO C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1[nH+]ccn1C ZINC000596936367 449725013 /nfs/dbraw/zinc/72/50/13/449725013.db2.gz KHZSZLSPSWZXSA-NSHDSACASA-N 1 2 345.359 1.862 20 5 EDBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cnccn3)CC2)c(F)c1 ZINC000602743640 449779275 /nfs/dbraw/zinc/77/92/75/449779275.db2.gz WPBULRDIRGAVGG-UHFFFAOYSA-N 1 2 345.378 1.884 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602730334 449771976 /nfs/dbraw/zinc/77/19/76/449771976.db2.gz ZZEXRIQVFJZPRD-IAGOWNOFSA-N 1 2 330.340 1.925 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602730334 449771980 /nfs/dbraw/zinc/77/19/80/449771980.db2.gz ZZEXRIQVFJZPRD-IAGOWNOFSA-N 1 2 330.340 1.925 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000599437317 449974469 /nfs/dbraw/zinc/97/44/69/449974469.db2.gz NWVNRCWRHMQMIK-UHFFFAOYSA-N 1 2 346.362 1.943 20 5 EDBDLO COc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC000599440261 449978008 /nfs/dbraw/zinc/97/80/08/449978008.db2.gz HUPQQMRWHXNOPR-UHFFFAOYSA-N 1 2 331.376 1.644 20 5 EDBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609446923 450027832 /nfs/dbraw/zinc/02/78/32/450027832.db2.gz LAJUHAGDGURNAN-OAHLLOKOSA-N 1 2 337.351 1.671 20 5 EDBDLO COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000618175422 450041342 /nfs/dbraw/zinc/04/13/42/450041342.db2.gz GHOSKRLETYYMSQ-ZDUSSCGKSA-N 1 2 349.387 1.540 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601536117 450057207 /nfs/dbraw/zinc/05/72/07/450057207.db2.gz SZOWKTULDIOOFL-LLVKDONJSA-N 1 2 325.340 1.527 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618260871 450104573 /nfs/dbraw/zinc/10/45/73/450104573.db2.gz UJELZGIQZDFXMC-UHFFFAOYSA-N 1 2 328.332 1.764 20 5 EDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603184925 450124898 /nfs/dbraw/zinc/12/48/98/450124898.db2.gz BQAIEPLBOIOPCW-CYBMUJFWSA-N 1 2 331.376 1.670 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595467321 450162947 /nfs/dbraw/zinc/16/29/47/450162947.db2.gz KDMAXIHVACMBOH-SNVBAGLBSA-N 1 2 333.348 1.897 20 5 EDBDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000610283682 450182375 /nfs/dbraw/zinc/18/23/75/450182375.db2.gz PQYPHCMXZWLDGK-UHFFFAOYSA-N 1 2 344.371 1.738 20 5 EDBDLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000610283682 450182382 /nfs/dbraw/zinc/18/23/82/450182382.db2.gz PQYPHCMXZWLDGK-UHFFFAOYSA-N 1 2 344.371 1.738 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCOC3)CCC2 ZINC000618578091 450251907 /nfs/dbraw/zinc/25/19/07/450251907.db2.gz YZTAVRVXWJXYOQ-CQSZACIVSA-N 1 2 329.360 1.884 20 5 EDBDLO COc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000619439709 450473540 /nfs/dbraw/zinc/47/35/40/450473540.db2.gz ZNTOJNHSIOVKPQ-LBPRGKRZSA-N 1 2 335.360 1.150 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299053033 524961391 /nfs/dbraw/zinc/96/13/91/524961391.db2.gz HZJHJFPAWDDEPZ-VIFPVBQESA-N 1 2 328.325 1.297 20 5 EDBDLO CC(C)C(=O)NCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353410202 535375354 /nfs/dbraw/zinc/37/53/54/535375354.db2.gz WKSBLPLTOKJRCH-HNNXBMFYSA-N 1 2 345.403 1.780 20 5 EDBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741146800 579399434 /nfs/dbraw/zinc/39/94/34/579399434.db2.gz QIRPTULETHUZNO-SMDDNHRTSA-N 1 2 335.360 1.949 20 5 EDBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741146800 579399436 /nfs/dbraw/zinc/39/94/36/579399436.db2.gz QIRPTULETHUZNO-SMDDNHRTSA-N 1 2 335.360 1.949 20 5 EDBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000759570077 580009266 /nfs/dbraw/zinc/00/92/66/580009266.db2.gz FTVSDJWJMHQQFP-LBPRGKRZSA-N 1 2 332.364 1.613 20 5 EDBDLO Cn1c[nH+]c2c1CCN(Cn1cc(Br)c([N+](=O)[O-])n1)C2 ZINC000738134150 579163116 /nfs/dbraw/zinc/16/31/16/579163116.db2.gz HPANJIBEZJWFHH-UHFFFAOYSA-N 1 2 341.169 1.303 20 5 EDBDLO CNC(=O)C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000744403240 579509611 /nfs/dbraw/zinc/50/96/11/579509611.db2.gz NGNDVZQGKCVGBU-UHFFFAOYSA-N 1 2 345.359 1.793 20 5 EDBDLO COC(=O)[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791031 579865846 /nfs/dbraw/zinc/86/58/46/579865846.db2.gz YPNVCTLIQWQKCQ-LBPRGKRZSA-N 1 2 348.359 1.289 20 5 EDBDLO COC(=O)[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791031 579865847 /nfs/dbraw/zinc/86/58/47/579865847.db2.gz YPNVCTLIQWQKCQ-LBPRGKRZSA-N 1 2 348.359 1.289 20 5 EDBDLO CN(C)c1cc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000762472885 580075160 /nfs/dbraw/zinc/07/51/60/580075160.db2.gz BQBGCNQSVBBUQS-UHFFFAOYSA-N 1 2 341.327 1.921 20 5 EDBDLO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770002833 580250752 /nfs/dbraw/zinc/25/07/52/580250752.db2.gz ZWOVZWJPCOBBSA-LSDHHAIUSA-N 1 2 342.417 1.527 20 5 EDBDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770002833 580250753 /nfs/dbraw/zinc/25/07/53/580250753.db2.gz ZWOVZWJPCOBBSA-LSDHHAIUSA-N 1 2 342.417 1.527 20 5 EDBDLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000775428465 580390646 /nfs/dbraw/zinc/39/06/46/580390646.db2.gz WXDHYBWBZMRRHT-STQMWFEESA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000775428465 580390647 /nfs/dbraw/zinc/39/06/47/580390647.db2.gz WXDHYBWBZMRRHT-STQMWFEESA-N 1 2 336.392 1.676 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000776453468 580417632 /nfs/dbraw/zinc/41/76/32/580417632.db2.gz LQRFCYDCRMZNJL-UHFFFAOYSA-N 1 2 346.343 1.485 20 5 EDBDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000779126263 580480118 /nfs/dbraw/zinc/48/01/18/580480118.db2.gz WPXRLASKJRQSKR-LLVKDONJSA-N 1 2 343.330 1.212 20 5 EDBDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000779126263 580480119 /nfs/dbraw/zinc/48/01/19/580480119.db2.gz WPXRLASKJRQSKR-LLVKDONJSA-N 1 2 343.330 1.212 20 5 EDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000779562086 580489515 /nfs/dbraw/zinc/48/95/15/580489515.db2.gz CREDBVIMEBMYSI-LBPRGKRZSA-N 1 2 332.316 1.071 20 5 EDBDLO CCc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)cc1[N+](=O)[O-] ZINC000779565626 580489924 /nfs/dbraw/zinc/48/99/24/580489924.db2.gz GTLPDGHGGQJOJG-ZDUSSCGKSA-N 1 2 346.343 1.325 20 5 EDBDLO CC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000781986447 580562611 /nfs/dbraw/zinc/56/26/11/580562611.db2.gz ZLCNKOZDJNPVIR-LBPRGKRZSA-N 1 2 328.332 1.935 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781996972 580563085 /nfs/dbraw/zinc/56/30/85/580563085.db2.gz ONFILHNJPYFUKQ-UHFFFAOYSA-N 1 2 348.359 1.416 20 5 EDBDLO COCC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000782964407 580589447 /nfs/dbraw/zinc/58/94/47/580589447.db2.gz 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EDBDLO O=C(N1CCc2[nH]c[nH+]c2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000863511820 596606402 /nfs/dbraw/zinc/60/64/02/596606402.db2.gz GKFLXCZMBHWTRJ-UHFFFAOYSA-N 1 2 338.270 1.874 20 5 EDBDLO O=C(N1CCc2[nH+]c[nH]c2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000863511820 596606406 /nfs/dbraw/zinc/60/64/06/596606406.db2.gz GKFLXCZMBHWTRJ-UHFFFAOYSA-N 1 2 338.270 1.874 20 5 EDBDLO Cc1cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000870075174 596736545 /nfs/dbraw/zinc/73/65/45/596736545.db2.gz FDRIMLBFHKMNTI-HNNXBMFYSA-N 1 2 349.387 1.076 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000876773258 597333790 /nfs/dbraw/zinc/33/37/90/597333790.db2.gz XSUJVWCWQBNIBO-UHFFFAOYSA-N 1 2 334.420 1.593 20 5 EDBDLO Cc1nn(C[NH+]2CCC(N3CCCCC3=O)CC2)c(C)c1[N+](=O)[O-] ZINC000126665787 597548773 /nfs/dbraw/zinc/54/87/73/597548773.db2.gz FIPQBOWLRQTMJU-UHFFFAOYSA-N 1 2 335.408 1.843 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000919591198 697301815 /nfs/dbraw/zinc/30/18/15/697301815.db2.gz RLCLNSLFRFUEFI-CQSZACIVSA-N 1 2 341.433 1.946 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000919591198 697301817 /nfs/dbraw/zinc/30/18/17/697301817.db2.gz RLCLNSLFRFUEFI-CQSZACIVSA-N 1 2 341.433 1.946 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000919604626 697304139 /nfs/dbraw/zinc/30/41/39/697304139.db2.gz ZYGKPLIOGAJKIN-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000919604626 697304141 /nfs/dbraw/zinc/30/41/41/697304141.db2.gz ZYGKPLIOGAJKIN-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001005382200 708815858 /nfs/dbraw/zinc/81/58/58/708815858.db2.gz NUTCRBOHHOCDSF-GDBMZVCRSA-N 1 2 348.403 1.640 20 5 EDBDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000922026735 709452715 /nfs/dbraw/zinc/45/27/15/709452715.db2.gz RNKHINRZUKWPNY-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000922026735 709452717 /nfs/dbraw/zinc/45/27/17/709452717.db2.gz RNKHINRZUKWPNY-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000050993390 214075174 /nfs/dbraw/zinc/07/51/74/214075174.db2.gz OZIHURGXQRKANK-LLVKDONJSA-N 1 2 334.376 1.522 20 5 EDBDLO C[C@@H](c1cccnc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864369 231326950 /nfs/dbraw/zinc/32/69/50/231326950.db2.gz OYLBRQQLOIONDU-AWEZNQCLSA-N 1 2 330.392 1.565 20 5 EDBDLO NC(=O)N1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000102178171 219189213 /nfs/dbraw/zinc/18/92/13/219189213.db2.gz GUQCXNCCWISRKG-UHFFFAOYSA-N 1 2 346.347 1.231 20 5 EDBDLO NC(=O)N1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000102178171 219189216 /nfs/dbraw/zinc/18/92/16/219189216.db2.gz GUQCXNCCWISRKG-UHFFFAOYSA-N 1 2 346.347 1.231 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412694491 304027554 /nfs/dbraw/zinc/02/75/54/304027554.db2.gz HRPDNLLETNDDNX-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412694491 304027556 /nfs/dbraw/zinc/02/75/56/304027556.db2.gz HRPDNLLETNDDNX-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412694491 304027559 /nfs/dbraw/zinc/02/75/59/304027559.db2.gz HRPDNLLETNDDNX-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000412694491 304027560 /nfs/dbraw/zinc/02/75/60/304027560.db2.gz HRPDNLLETNDDNX-LBPRGKRZSA-N 1 2 343.387 1.973 20 5 EDBDLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000563359744 306329997 /nfs/dbraw/zinc/32/99/97/306329997.db2.gz YETSKKWMVHGEJP-PWSUYJOCSA-N 1 2 336.348 1.719 20 5 EDBDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000563359744 306329998 /nfs/dbraw/zinc/32/99/98/306329998.db2.gz YETSKKWMVHGEJP-PWSUYJOCSA-N 1 2 336.348 1.719 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000028442276 138096708 /nfs/dbraw/zinc/09/67/08/138096708.db2.gz SGIBYGKXVFREPN-UHFFFAOYSA-N 1 2 328.332 1.266 20 5 EDBDLO CN(C(=O)C[N@H+](C)[C@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000105613991 138301575 /nfs/dbraw/zinc/30/15/75/138301575.db2.gz QKEHGHKNTMRRKV-AWEZNQCLSA-N 1 2 334.376 1.158 20 5 EDBDLO CN(C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000105613991 138301576 /nfs/dbraw/zinc/30/15/76/138301576.db2.gz QKEHGHKNTMRRKV-AWEZNQCLSA-N 1 2 334.376 1.158 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCN(C)C(=O)C2(C)C)c([N+](=O)[O-])c1 ZINC000129735186 223085636 /nfs/dbraw/zinc/08/56/36/223085636.db2.gz QGZSWNHLTDEKLJ-UHFFFAOYSA-N 1 2 337.376 1.535 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCN(C)C(=O)C2(C)C)c([N+](=O)[O-])c1 ZINC000129735186 223085638 /nfs/dbraw/zinc/08/56/38/223085638.db2.gz QGZSWNHLTDEKLJ-UHFFFAOYSA-N 1 2 337.376 1.535 20 5 EDBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000078361979 217043971 /nfs/dbraw/zinc/04/39/71/217043971.db2.gz XHIVDQKYQMFUAA-GFCCVEGCSA-N 1 2 339.417 1.212 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080943975 217343286 /nfs/dbraw/zinc/34/32/86/217343286.db2.gz IGNHNGIBFJAFRN-INIZCTEOSA-N 1 2 333.388 1.461 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000092547063 218149967 /nfs/dbraw/zinc/14/99/67/218149967.db2.gz FXBXJULINDCJKW-CQSZACIVSA-N 1 2 335.360 1.882 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000092547063 218149969 /nfs/dbraw/zinc/14/99/69/218149969.db2.gz FXBXJULINDCJKW-CQSZACIVSA-N 1 2 335.360 1.882 20 5 EDBDLO O=C1[C@@H]([N@@H+]2CCO[C@@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248992868 139182722 /nfs/dbraw/zinc/18/27/22/139182722.db2.gz LLCYGEQGVODZCI-RDJZCZTQSA-N 1 2 347.371 1.191 20 5 EDBDLO O=C1[C@@H]([N@H+]2CCO[C@@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248992868 139182723 /nfs/dbraw/zinc/18/27/23/139182723.db2.gz LLCYGEQGVODZCI-RDJZCZTQSA-N 1 2 347.371 1.191 20 5 EDBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249154457 139187948 /nfs/dbraw/zinc/18/79/48/139187948.db2.gz YJAKKZWQLTXMPQ-JSGCOSHPSA-N 1 2 349.387 1.973 20 5 EDBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249154457 139187949 /nfs/dbraw/zinc/18/79/49/139187949.db2.gz YJAKKZWQLTXMPQ-JSGCOSHPSA-N 1 2 349.387 1.973 20 5 EDBDLO O=C(N[C@@H]1CCCCNC1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448687406 254636754 /nfs/dbraw/zinc/63/67/54/254636754.db2.gz SHUPIXZXMJTZCR-GFCCVEGCSA-N 1 2 343.343 1.179 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492415899 255176261 /nfs/dbraw/zinc/17/62/61/255176261.db2.gz ICPNYAVRBJKVQQ-SNVBAGLBSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492415899 255176262 /nfs/dbraw/zinc/17/62/62/255176262.db2.gz ICPNYAVRBJKVQQ-SNVBAGLBSA-N 1 2 347.824 1.762 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1=O ZINC000495242360 255275081 /nfs/dbraw/zinc/27/50/81/255275081.db2.gz SMQDSNUFBITNGS-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1=O ZINC000495242360 255275082 /nfs/dbraw/zinc/27/50/82/255275082.db2.gz SMQDSNUFBITNGS-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO COC(=O)N1CC(N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495688567 255315763 /nfs/dbraw/zinc/31/57/63/255315763.db2.gz OTBGMWFIWIMTOV-CQSZACIVSA-N 1 2 345.359 1.458 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1[N+](=O)[O-] ZINC000263937333 139370649 /nfs/dbraw/zinc/37/06/49/139370649.db2.gz GWDPDAPSRDKSNR-CYBMUJFWSA-N 1 2 346.391 1.928 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000155021586 224344572 /nfs/dbraw/zinc/34/45/72/224344572.db2.gz NPDRMPWSEUZGNS-UHFFFAOYSA-N 1 2 328.328 1.862 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000331444862 141029854 /nfs/dbraw/zinc/02/98/54/141029854.db2.gz YEFQFHDDWPWCRI-LLVKDONJSA-N 1 2 332.364 1.157 20 5 EDBDLO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)C1 ZINC000572156773 306582404 /nfs/dbraw/zinc/58/24/04/306582404.db2.gz XRUAPYDOVLVYPD-XJKSGUPXSA-N 1 2 349.387 1.659 20 5 EDBDLO Cc1n[nH]c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332248565 141146719 /nfs/dbraw/zinc/14/67/19/141146719.db2.gz RXPOQWLEJNPOLN-SNVBAGLBSA-N 1 2 346.391 1.865 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000344934571 143028557 /nfs/dbraw/zinc/02/85/57/143028557.db2.gz KJFARILPUQPLJX-JTQLQIEISA-N 1 2 325.390 1.647 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000344934571 143028558 /nfs/dbraw/zinc/02/85/58/143028558.db2.gz KJFARILPUQPLJX-JTQLQIEISA-N 1 2 325.390 1.647 20 5 EDBDLO COC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000345303202 143075437 /nfs/dbraw/zinc/07/54/37/143075437.db2.gz NGQIDALDRALSRT-UHFFFAOYSA-N 1 2 335.360 1.808 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(N)=O ZINC000346595917 143220299 /nfs/dbraw/zinc/22/02/99/143220299.db2.gz ZFAIKYWFEIXAMP-WPRPVWTQSA-N 1 2 340.767 1.240 20 5 EDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(N)=O ZINC000346595917 143220300 /nfs/dbraw/zinc/22/03/00/143220300.db2.gz ZFAIKYWFEIXAMP-WPRPVWTQSA-N 1 2 340.767 1.240 20 5 EDBDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000369885358 155218553 /nfs/dbraw/zinc/21/85/53/155218553.db2.gz YEUVUXRGXIWWCZ-LLVKDONJSA-N 1 2 330.344 1.832 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000352641263 149098102 /nfs/dbraw/zinc/09/81/02/149098102.db2.gz WQSNBQGPYUWRRG-GFCCVEGCSA-N 1 2 348.403 1.620 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000352641263 149098105 /nfs/dbraw/zinc/09/81/05/149098105.db2.gz WQSNBQGPYUWRRG-GFCCVEGCSA-N 1 2 348.403 1.620 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000353197452 149321189 /nfs/dbraw/zinc/32/11/89/149321189.db2.gz VIRVQWLGFSOYEV-MRXNPFEDSA-N 1 2 349.387 1.158 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000355496760 150292540 /nfs/dbraw/zinc/29/25/40/150292540.db2.gz WWRAHEUJSBRIAA-TXEJJXNPSA-N 1 2 337.376 1.482 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000355496760 150292543 /nfs/dbraw/zinc/29/25/43/150292543.db2.gz WWRAHEUJSBRIAA-TXEJJXNPSA-N 1 2 337.376 1.482 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000355765981 150392440 /nfs/dbraw/zinc/39/24/40/150392440.db2.gz ZGOKZNSSDACPIT-RYUDHWBXSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] 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Cc1[nH+]c[nH]c1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000358541356 445642223 /nfs/dbraw/zinc/64/22/23/445642223.db2.gz NFMYCUXFMKMJBX-UHFFFAOYSA-N 1 2 327.304 1.137 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353589069 445669101 /nfs/dbraw/zinc/66/91/01/445669101.db2.gz FWOZMSFKBPWCNR-GOEBONIOSA-N 1 2 332.360 1.159 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)c1 ZINC000356692104 445942864 /nfs/dbraw/zinc/94/28/64/445942864.db2.gz QZMPECNCDPTILQ-ZFWWWQNUSA-N 1 2 333.388 1.838 20 5 EDBDLO C/C=C\C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354179332 445975880 /nfs/dbraw/zinc/97/58/80/445975880.db2.gz CEAHZPLGQHXJOM-ZRMMWKCHSA-N 1 2 330.344 1.837 20 5 EDBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583966507 326173581 /nfs/dbraw/zinc/17/35/81/326173581.db2.gz GCEABKDEFUMSMF-MRXNPFEDSA-N 1 2 346.387 1.456 20 5 EDBDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583966507 326173585 /nfs/dbraw/zinc/17/35/85/326173585.db2.gz GCEABKDEFUMSMF-MRXNPFEDSA-N 1 2 346.387 1.456 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000359455799 446232964 /nfs/dbraw/zinc/23/29/64/446232964.db2.gz GPMWATRZGPLXSJ-GFCCVEGCSA-N 1 2 347.379 1.066 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)cs2)c1 ZINC000370399116 446261749 /nfs/dbraw/zinc/26/17/49/446261749.db2.gz SAQGYOJPRXNJAD-KGLIPLIRSA-N 1 2 335.385 1.646 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)cs2)c1 ZINC000370399116 446261753 /nfs/dbraw/zinc/26/17/53/446261753.db2.gz SAQGYOJPRXNJAD-KGLIPLIRSA-N 1 2 335.385 1.646 20 5 EDBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000370467521 446291378 /nfs/dbraw/zinc/29/13/78/446291378.db2.gz CDNXWMPLMDEIFO-CYBMUJFWSA-N 1 2 349.387 1.485 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366756029 446336256 /nfs/dbraw/zinc/33/62/56/446336256.db2.gz JQDDLHHBWKYLTN-UKRRQHHQSA-N 1 2 335.360 1.083 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366756029 446336261 /nfs/dbraw/zinc/33/62/61/446336261.db2.gz JQDDLHHBWKYLTN-UKRRQHHQSA-N 1 2 335.360 1.083 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376174264 446367255 /nfs/dbraw/zinc/36/72/55/446367255.db2.gz QLTGDKIBMCOCRO-JSGCOSHPSA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1nc(CO[C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000374876703 446430099 /nfs/dbraw/zinc/43/00/99/446430099.db2.gz KPAYEXVYHHTEGL-GFCCVEGCSA-N 1 2 337.405 1.884 20 5 EDBDLO Cc1nc(CO[C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000374876703 446430101 /nfs/dbraw/zinc/43/01/01/446430101.db2.gz KPAYEXVYHHTEGL-GFCCVEGCSA-N 1 2 337.405 1.884 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374811911 446403336 /nfs/dbraw/zinc/40/33/36/446403336.db2.gz POIQUJTZXNJKQJ-AWEZNQCLSA-N 1 2 345.334 1.498 20 5 EDBDLO COc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1F ZINC000376505270 446541537 /nfs/dbraw/zinc/54/15/37/446541537.db2.gz KKVGWTWAKGCTDM-GFCCVEGCSA-N 1 2 325.340 1.843 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1F ZINC000376505270 446541545 /nfs/dbraw/zinc/54/15/45/446541545.db2.gz KKVGWTWAKGCTDM-GFCCVEGCSA-N 1 2 325.340 1.843 20 5 EDBDLO Cc1nn(CCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000371044117 446593847 /nfs/dbraw/zinc/59/38/47/446593847.db2.gz QBGPXLOIXMWLQD-ZDUSSCGKSA-N 1 2 346.391 1.548 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCOC[C@H]32)cccc1[N+](=O)[O-] ZINC000368320658 446784311 /nfs/dbraw/zinc/78/43/11/446784311.db2.gz FBFNFFZXQPJKBT-HZPDHXFCSA-N 1 2 349.387 1.722 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H]3CCOC[C@H]32)cccc1[N+](=O)[O-] ZINC000368320658 446784314 /nfs/dbraw/zinc/78/43/14/446784314.db2.gz FBFNFFZXQPJKBT-HZPDHXFCSA-N 1 2 349.387 1.722 20 5 EDBDLO C[C@H]1C[C@@H](CO)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420928506 446899163 /nfs/dbraw/zinc/89/91/63/446899163.db2.gz ANUCKQGGCGIXKO-QWHCGFSZSA-N 1 2 342.417 1.319 20 5 EDBDLO C[C@H]1C[C@@H](CO)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420928506 446899169 /nfs/dbraw/zinc/89/91/69/446899169.db2.gz ANUCKQGGCGIXKO-QWHCGFSZSA-N 1 2 342.417 1.319 20 5 EDBDLO CCOc1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000375769040 447035615 /nfs/dbraw/zinc/03/56/15/447035615.db2.gz PHNNBXYVCIFDNH-SWLSCSKDSA-N 1 2 340.401 1.612 20 5 EDBDLO CCOc1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000375769040 447035622 /nfs/dbraw/zinc/03/56/22/447035622.db2.gz PHNNBXYVCIFDNH-SWLSCSKDSA-N 1 2 340.401 1.612 20 5 EDBDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445172519 447177297 /nfs/dbraw/zinc/17/72/97/447177297.db2.gz KTSVYRYOSLHLAJ-UHFFFAOYSA-N 1 2 345.237 1.384 20 5 EDBDLO CCc1cc(NC[C@H]2CNC(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413483132 447196196 /nfs/dbraw/zinc/19/61/96/447196196.db2.gz RCKJLMCPOWVIQX-NSHDSACASA-N 1 2 341.371 1.584 20 5 EDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000375993011 447197606 /nfs/dbraw/zinc/19/76/06/447197606.db2.gz PCCVYIICLWMRDW-UHFFFAOYSA-N 1 2 347.415 1.851 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(O)(C2CC2)C1 ZINC000372688521 447223285 /nfs/dbraw/zinc/22/32/85/447223285.db2.gz GARRHKXIIDDSMQ-UHFFFAOYSA-N 1 2 328.328 1.377 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000415497460 447480952 /nfs/dbraw/zinc/48/09/52/447480952.db2.gz HTKQWMLQLPAZMO-VIFPVBQESA-N 1 2 344.318 1.970 20 5 EDBDLO CCc1nn(C)c(NC[C@H]2CCC[N@H+](CC(=O)OC)C2)c1[N+](=O)[O-] ZINC000450541463 447521118 /nfs/dbraw/zinc/52/11/18/447521118.db2.gz SFUJALYSCHWXOC-LLVKDONJSA-N 1 2 339.396 1.188 20 5 EDBDLO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)c1[N+](=O)[O-] ZINC000450541463 447521125 /nfs/dbraw/zinc/52/11/25/447521125.db2.gz SFUJALYSCHWXOC-LLVKDONJSA-N 1 2 339.396 1.188 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408338344 447652694 /nfs/dbraw/zinc/65/26/94/447652694.db2.gz ZNGMLZNXZBZIDQ-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408338344 447652702 /nfs/dbraw/zinc/65/27/02/447652702.db2.gz ZNGMLZNXZBZIDQ-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO CCOCC[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1C ZINC000458082174 447714889 /nfs/dbraw/zinc/71/48/89/447714889.db2.gz KJMNPADABIEFLP-GFCCVEGCSA-N 1 2 337.376 1.483 20 5 EDBDLO CCOCC[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1C ZINC000458082174 447714892 /nfs/dbraw/zinc/71/48/92/447714892.db2.gz KJMNPADABIEFLP-GFCCVEGCSA-N 1 2 337.376 1.483 20 5 EDBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1CO ZINC000451256169 447715080 /nfs/dbraw/zinc/71/50/80/447715080.db2.gz SPSCWIAZYFPTKF-XHDPSFHLSA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[NH+]1CCOCC1 ZINC000486962936 447826910 /nfs/dbraw/zinc/82/69/10/447826910.db2.gz DBOOABJHVSAOQN-RYUDHWBXSA-N 1 2 347.375 2.166 20 5 EDBDLO CNc1nccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000576119048 447979150 /nfs/dbraw/zinc/97/91/50/447979150.db2.gz AZYYPFBSGSTTCG-SNVBAGLBSA-N 1 2 330.348 1.774 20 5 EDBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582707310 448316076 /nfs/dbraw/zinc/31/60/76/448316076.db2.gz OQAVDZTYDTUFHP-VIFPVBQESA-N 1 2 325.350 1.246 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000515365683 448298943 /nfs/dbraw/zinc/29/89/43/448298943.db2.gz PCRYOCYYZDSWCU-UHFFFAOYSA-N 1 2 347.375 1.716 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000515365683 448298948 /nfs/dbraw/zinc/29/89/48/448298948.db2.gz PCRYOCYYZDSWCU-UHFFFAOYSA-N 1 2 347.375 1.716 20 5 EDBDLO C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000566656013 448529597 /nfs/dbraw/zinc/52/95/97/448529597.db2.gz YWJXBYMEOYHJIX-ZDUSSCGKSA-N 1 2 335.404 1.925 20 5 EDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000587057337 448834690 /nfs/dbraw/zinc/83/46/90/448834690.db2.gz UIUZMRWKSRPESO-JTQLQIEISA-N 1 2 344.327 1.307 20 5 EDBDLO NC(=O)C1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000595728363 449134538 /nfs/dbraw/zinc/13/45/38/449134538.db2.gz MRHXHZRHLVVLOF-UHFFFAOYSA-N 1 2 346.343 1.374 20 5 EDBDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595665409 449107478 /nfs/dbraw/zinc/10/74/78/449107478.db2.gz ZMOQGQSKHKPBTE-UONOGXRCSA-N 1 2 347.327 1.670 20 5 EDBDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595666914 449108730 /nfs/dbraw/zinc/10/87/30/449108730.db2.gz MPUKUECUVUFRTL-WCQYABFASA-N 1 2 348.315 1.065 20 5 EDBDLO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000590398950 449146838 /nfs/dbraw/zinc/14/68/38/449146838.db2.gz AXQGFDWOLLKIKD-GXTWGEPZSA-N 1 2 335.360 1.236 20 5 EDBDLO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000590398950 449146843 /nfs/dbraw/zinc/14/68/43/449146843.db2.gz AXQGFDWOLLKIKD-GXTWGEPZSA-N 1 2 335.360 1.236 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593849334 449236428 /nfs/dbraw/zinc/23/64/28/449236428.db2.gz NRVJEOMWMVPCSK-CQSZACIVSA-N 1 2 343.387 1.625 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593849334 449236433 /nfs/dbraw/zinc/23/64/33/449236433.db2.gz NRVJEOMWMVPCSK-CQSZACIVSA-N 1 2 343.387 1.625 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593849334 449236438 /nfs/dbraw/zinc/23/64/38/449236438.db2.gz NRVJEOMWMVPCSK-CQSZACIVSA-N 1 2 343.387 1.625 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593849334 449236442 /nfs/dbraw/zinc/23/64/42/449236442.db2.gz NRVJEOMWMVPCSK-CQSZACIVSA-N 1 2 343.387 1.625 20 5 EDBDLO COCC[NH+](CCOC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249534 449238071 /nfs/dbraw/zinc/23/80/71/449238071.db2.gz KEAWAWHANCAFQU-UHFFFAOYSA-N 1 2 326.349 1.461 20 5 EDBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611256916 449240180 /nfs/dbraw/zinc/24/01/80/449240180.db2.gz ADKNYWIHPBPXQF-ZDUSSCGKSA-N 1 2 347.371 1.609 20 5 EDBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611256916 449240186 /nfs/dbraw/zinc/24/01/86/449240186.db2.gz ADKNYWIHPBPXQF-ZDUSSCGKSA-N 1 2 347.371 1.609 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593414697 449271439 /nfs/dbraw/zinc/27/14/39/449271439.db2.gz QNZRLZWOHQGBAP-UHFFFAOYSA-N 1 2 344.371 1.995 20 5 EDBDLO C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598461007 449406208 /nfs/dbraw/zinc/40/62/08/449406208.db2.gz ZCTGQGOGTBJNFC-NSHDSACASA-N 1 2 345.359 1.326 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594485122 449549351 /nfs/dbraw/zinc/54/93/51/449549351.db2.gz WTWRJSZAEKIUCX-QWRGUYRKSA-N 1 2 345.446 1.952 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)s1 ZINC000594485122 449549360 /nfs/dbraw/zinc/54/93/60/449549360.db2.gz WTWRJSZAEKIUCX-QWRGUYRKSA-N 1 2 345.446 1.952 20 5 EDBDLO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000600794396 449549562 /nfs/dbraw/zinc/54/95/62/449549562.db2.gz UDPIXUOUTAOWFF-UHFFFAOYSA-N 1 2 331.372 2.376 20 5 EDBDLO C[C@@]12COC[C@@H]1CN(c1cc(C[NH+]3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000596480998 449523374 /nfs/dbraw/zinc/52/33/74/449523374.db2.gz RLPLCDXLHRSULL-MAUKXSAKSA-N 1 2 347.415 1.900 20 5 EDBDLO O=C(NCC[NH+]1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600889199 449587345 /nfs/dbraw/zinc/58/73/45/449587345.db2.gz ASIPIPXAUYYXMY-UHFFFAOYSA-N 1 2 333.388 1.465 20 5 EDBDLO CCOc1cccc(N2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC000602456464 449603891 /nfs/dbraw/zinc/60/38/91/449603891.db2.gz XLPIPYQDYBKACB-UHFFFAOYSA-N 1 2 346.391 1.444 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997475 449643010 /nfs/dbraw/zinc/64/30/10/449643010.db2.gz CPNBMUOWBHDEBP-CQSZACIVSA-N 1 2 347.415 1.853 20 5 EDBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602792574 449813725 /nfs/dbraw/zinc/81/37/25/449813725.db2.gz CECNZNVAKZWFRG-HNNXBMFYSA-N 1 2 332.360 1.946 20 5 EDBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602792574 449813733 /nfs/dbraw/zinc/81/37/33/449813733.db2.gz CECNZNVAKZWFRG-HNNXBMFYSA-N 1 2 332.360 1.946 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000602795499 449814441 /nfs/dbraw/zinc/81/44/41/449814441.db2.gz AYFVXFWTGVVKBT-UHFFFAOYSA-N 1 2 327.295 1.145 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000602795499 449814446 /nfs/dbraw/zinc/81/44/46/449814446.db2.gz AYFVXFWTGVVKBT-UHFFFAOYSA-N 1 2 327.295 1.145 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000602832567 449842733 /nfs/dbraw/zinc/84/27/33/449842733.db2.gz QEVAEOVHLKUZJB-UHFFFAOYSA-N 1 2 342.355 1.653 20 5 EDBDLO Cc1c(C[NH+]2CCN(CC(F)(F)CO)CC2)cccc1[N+](=O)[O-] ZINC000602874223 449882809 /nfs/dbraw/zinc/88/28/09/449882809.db2.gz AOBHZEFTBUKFJE-UHFFFAOYSA-N 1 2 329.347 1.648 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595219533 449955073 /nfs/dbraw/zinc/95/50/73/449955073.db2.gz IOEHYDABBBYPFO-JTQLQIEISA-N 1 2 345.359 1.707 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609134765 449964707 /nfs/dbraw/zinc/96/47/07/449964707.db2.gz SKJPKIYLJFHGAI-CYBMUJFWSA-N 1 2 336.373 1.817 20 5 EDBDLO CCOC1CC(CNc2cccnc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000618173764 450040794 /nfs/dbraw/zinc/04/07/94/450040794.db2.gz LYTKANIFPXNFKO-UHFFFAOYSA-N 1 2 336.392 1.672 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609704855 450086822 /nfs/dbraw/zinc/08/68/22/450086822.db2.gz UXVWZLQZGCAGKE-UHFFFAOYSA-N 1 2 340.811 1.454 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])O1 ZINC000595478156 450171529 /nfs/dbraw/zinc/17/15/29/450171529.db2.gz YFNXLLZNFNBWQP-HKWIRBFKSA-N 1 2 339.348 1.575 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2onc(C)c2[N+](=O)[O-])O1 ZINC000595478156 450171532 /nfs/dbraw/zinc/17/15/32/450171532.db2.gz YFNXLLZNFNBWQP-HKWIRBFKSA-N 1 2 339.348 1.575 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601735147 450199660 /nfs/dbraw/zinc/19/96/60/450199660.db2.gz HALHTOVJHKQTJF-NSHDSACASA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601735147 450199665 /nfs/dbraw/zinc/19/96/65/450199665.db2.gz HALHTOVJHKQTJF-NSHDSACASA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000601737989 450203264 /nfs/dbraw/zinc/20/32/64/450203264.db2.gz XAYLQQZDFJBZLX-NSHDSACASA-N 1 2 332.360 1.479 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000601737989 450203266 /nfs/dbraw/zinc/20/32/66/450203266.db2.gz XAYLQQZDFJBZLX-NSHDSACASA-N 1 2 332.360 1.479 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871593 450348157 /nfs/dbraw/zinc/34/81/57/450348157.db2.gz PCYKZENYFWIAQT-CQSZACIVSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(NCCC1(CO)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456420652 491000415 /nfs/dbraw/zinc/00/04/15/491000415.db2.gz ZEVHOGXCNIVZLC-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000153591655 534050378 /nfs/dbraw/zinc/05/03/78/534050378.db2.gz NRUCYIRCDGCEQW-JTQLQIEISA-N 1 2 328.332 1.734 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174757306 534506581 /nfs/dbraw/zinc/50/65/81/534506581.db2.gz KQZBMEUTHKACDO-UHFFFAOYSA-N 1 2 327.300 1.132 20 5 EDBDLO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331691844 534664872 /nfs/dbraw/zinc/66/48/72/534664872.db2.gz STGPIFMQXBCCEQ-BBRMVZONSA-N 1 2 346.387 1.301 20 5 EDBDLO CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331691844 534664878 /nfs/dbraw/zinc/66/48/78/534664878.db2.gz STGPIFMQXBCCEQ-BBRMVZONSA-N 1 2 346.387 1.301 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000179451582 528369657 /nfs/dbraw/zinc/36/96/57/528369657.db2.gz VTFVCKZVMMEGJZ-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000179451582 528369662 /nfs/dbraw/zinc/36/96/62/528369662.db2.gz VTFVCKZVMMEGJZ-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CC[NH+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000180994050 529122164 /nfs/dbraw/zinc/12/21/64/529122164.db2.gz HMISSPTYTHJYID-UHFFFAOYSA-N 1 2 334.376 1.314 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000346043524 536001194 /nfs/dbraw/zinc/00/11/94/536001194.db2.gz WUYIRTWUEGBRQL-LLVKDONJSA-N 1 2 331.332 1.569 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000346043524 536001200 /nfs/dbraw/zinc/00/12/00/536001200.db2.gz WUYIRTWUEGBRQL-LLVKDONJSA-N 1 2 331.332 1.569 20 5 EDBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)n1cc([N+](=O)[O-])cn1 ZINC000726501275 578346621 /nfs/dbraw/zinc/34/66/21/578346621.db2.gz OBVVGFPKSQORLV-UHFFFAOYSA-N 1 2 341.331 1.746 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000738544377 578555051 /nfs/dbraw/zinc/55/50/51/578555051.db2.gz NRNVQGLAMUSLQN-UHFFFAOYSA-N 1 2 331.288 1.664 20 5 EDBDLO COC(=O)[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000761136416 580049559 /nfs/dbraw/zinc/04/95/59/580049559.db2.gz BHJYFNITCCEPSQ-CQSZACIVSA-N 1 2 345.311 1.889 20 5 EDBDLO O=[N+]([O-])c1nn(CN2CCn3cc[nH+]c3C2)cc1Br ZINC000738131113 579162795 /nfs/dbraw/zinc/16/27/95/579162795.db2.gz YPDWSMYKJWZVMK-UHFFFAOYSA-N 1 2 327.142 1.224 20 5 EDBDLO Cc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000749942068 579744576 /nfs/dbraw/zinc/74/45/76/579744576.db2.gz RPADDRBAMCUFRI-UHFFFAOYSA-N 1 2 326.316 1.742 20 5 EDBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000755213132 579922854 /nfs/dbraw/zinc/92/28/54/579922854.db2.gz JXHSQSHMZRGUHY-YBEMTRGBSA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000755213132 579922855 /nfs/dbraw/zinc/92/28/55/579922855.db2.gz JXHSQSHMZRGUHY-YBEMTRGBSA-N 1 2 333.388 1.835 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756890648 579959633 /nfs/dbraw/zinc/95/96/33/579959633.db2.gz UBJRMEQUPJGTPD-WCQYABFASA-N 1 2 345.355 1.649 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756890648 579959634 /nfs/dbraw/zinc/95/96/34/579959634.db2.gz UBJRMEQUPJGTPD-WCQYABFASA-N 1 2 345.355 1.649 20 5 EDBDLO O=C(OCC[NH+]1CCOCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000763870033 580107457 /nfs/dbraw/zinc/10/74/57/580107457.db2.gz PDQMBBMBCFQOQQ-UHFFFAOYSA-N 1 2 346.343 1.270 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771785998 580293964 /nfs/dbraw/zinc/29/39/64/580293964.db2.gz VFGCALZRIBEQLF-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771785998 580293965 /nfs/dbraw/zinc/29/39/65/580293965.db2.gz VFGCALZRIBEQLF-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000771910664 580298241 /nfs/dbraw/zinc/29/82/41/580298241.db2.gz IYUAJKJNQHBWFT-UHFFFAOYSA-N 1 2 327.300 1.834 20 5 EDBDLO O=Cc1ccc(OCC(=O)N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000779214840 580481294 /nfs/dbraw/zinc/48/12/94/580481294.db2.gz VGPYDMRXMQFTGC-LBPRGKRZSA-N 1 2 344.327 1.114 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000791306481 580789001 /nfs/dbraw/zinc/78/90/01/580789001.db2.gz AJLASJALGWZELX-UHFFFAOYSA-N 1 2 343.318 1.936 20 5 EDBDLO C[C@H]1OCC[C@]12C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000794664988 580902023 /nfs/dbraw/zinc/90/20/23/580902023.db2.gz UHTJVKJIWJNHBY-WBMJQRKESA-N 1 2 332.360 1.782 20 5 EDBDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000794664988 580902024 /nfs/dbraw/zinc/90/20/24/580902024.db2.gz UHTJVKJIWJNHBY-WBMJQRKESA-N 1 2 332.360 1.782 20 5 EDBDLO CCOC(=O)C1(COC)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000794703472 580903601 /nfs/dbraw/zinc/90/36/01/580903601.db2.gz NPECBEURVSMSOU-UHFFFAOYSA-N 1 2 326.353 1.041 20 5 EDBDLO Cc1cc(NCc2cnn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000804847455 590930461 /nfs/dbraw/zinc/93/04/61/590930461.db2.gz HWYWRCDXPXLQGH-UHFFFAOYSA-N 1 2 325.332 1.523 20 5 EDBDLO COc1c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898501587 591388775 /nfs/dbraw/zinc/38/87/75/591388775.db2.gz HKXQNLSUQSAEAE-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO COc1c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898501587 591388780 /nfs/dbraw/zinc/38/87/80/591388780.db2.gz HKXQNLSUQSAEAE-NSHDSACASA-N 1 2 325.340 1.767 20 5 EDBDLO Cc1nn(Cc2cccnc2[N+](=O)[O-])c(C)c1[C@@H]1COCC[N@H+]1C ZINC000902589340 592021041 /nfs/dbraw/zinc/02/10/41/592021041.db2.gz WIJALERLKGPOOG-AWEZNQCLSA-N 1 2 331.376 1.855 20 5 EDBDLO Cc1nn(Cc2cccnc2[N+](=O)[O-])c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000902589340 592021042 /nfs/dbraw/zinc/02/10/42/592021042.db2.gz WIJALERLKGPOOG-AWEZNQCLSA-N 1 2 331.376 1.855 20 5 EDBDLO COC[C@@H]1CC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083143 593142541 /nfs/dbraw/zinc/14/25/41/593142541.db2.gz MZEWKSZYIUMXLJ-BBRMVZONSA-N 1 2 348.359 1.040 20 5 EDBDLO COC[C@@H]1CC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083143 593142543 /nfs/dbraw/zinc/14/25/43/593142543.db2.gz MZEWKSZYIUMXLJ-BBRMVZONSA-N 1 2 348.359 1.040 20 5 EDBDLO O=C(N1C[C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000840124846 593209129 /nfs/dbraw/zinc/20/91/29/593209129.db2.gz FWSKPYFSDKENIF-NXEZZACHSA-N 1 2 347.297 1.091 20 5 EDBDLO O=C(N1C[C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000840124846 593209130 /nfs/dbraw/zinc/20/91/30/593209130.db2.gz FWSKPYFSDKENIF-NXEZZACHSA-N 1 2 347.297 1.091 20 5 EDBDLO COc1cc(OCC(=O)O[C@@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802242204 593238093 /nfs/dbraw/zinc/23/80/93/593238093.db2.gz GFHXGICQNIPYTH-GFCCVEGCSA-N 1 2 342.323 1.569 20 5 EDBDLO COc1cc(OCC(=O)O[C@@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802242204 593238094 /nfs/dbraw/zinc/23/80/94/593238094.db2.gz GFHXGICQNIPYTH-GFCCVEGCSA-N 1 2 342.323 1.569 20 5 EDBDLO CCOC1CC([N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000808213737 593240874 /nfs/dbraw/zinc/24/08/74/593240874.db2.gz PKCDDUOIAVXUPK-UHFFFAOYSA-N 1 2 333.344 1.648 20 5 EDBDLO CCOC1CC([N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000808213737 593240876 /nfs/dbraw/zinc/24/08/76/593240876.db2.gz PKCDDUOIAVXUPK-UHFFFAOYSA-N 1 2 333.344 1.648 20 5 EDBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000802785589 593278925 /nfs/dbraw/zinc/27/89/25/593278925.db2.gz BWYWHVGOXUINTP-UHFFFAOYSA-N 1 2 333.300 1.847 20 5 EDBDLO COc1cc[nH+]cc1COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000805334319 593437336 /nfs/dbraw/zinc/43/73/36/593437336.db2.gz VOLZKIRPBIAUBW-UHFFFAOYSA-N 1 2 345.311 1.472 20 5 EDBDLO Cn1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000813172860 593521576 /nfs/dbraw/zinc/52/15/76/593521576.db2.gz RMIIDJPXKYFUTN-ZDUSSCGKSA-N 1 2 331.332 1.155 20 5 EDBDLO Cn1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000813172860 593521577 /nfs/dbraw/zinc/52/15/77/593521577.db2.gz RMIIDJPXKYFUTN-ZDUSSCGKSA-N 1 2 331.332 1.155 20 5 EDBDLO CCc1cc(N[C@@H]2COC(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000820586187 593838282 /nfs/dbraw/zinc/83/82/82/593838282.db2.gz GOAHHUCOIHVWRU-LBPRGKRZSA-N 1 2 328.328 1.764 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840655278 594805992 /nfs/dbraw/zinc/80/59/92/594805992.db2.gz DQPQYJQNZPCFEP-VBNZEHGJSA-N 1 2 334.372 1.962 20 5 EDBDLO COC(=O)[C@H](C)C[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000102652831 595017324 /nfs/dbraw/zinc/01/73/24/595017324.db2.gz JFPSWMNILWFCNH-SNVBAGLBSA-N 1 2 349.343 1.734 20 5 EDBDLO COC(=O)[C@H](C)C[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000102652831 595017325 /nfs/dbraw/zinc/01/73/25/595017325.db2.gz JFPSWMNILWFCNH-SNVBAGLBSA-N 1 2 349.343 1.734 20 5 EDBDLO COCCOCC[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000845767465 595059313 /nfs/dbraw/zinc/05/93/13/595059313.db2.gz KADABLMNZTVFLH-UHFFFAOYSA-N 1 2 345.346 1.658 20 5 EDBDLO O=C(OC[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000853152071 595682747 /nfs/dbraw/zinc/68/27/47/595682747.db2.gz OPARSNHQSRVLIT-NSHDSACASA-N 1 2 344.327 1.464 20 5 EDBDLO O=[N+]([O-])c1cnn(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000853532039 595787854 /nfs/dbraw/zinc/78/78/54/595787854.db2.gz PZURJXRAIPDMLZ-SJORKVTESA-N 1 2 343.387 1.334 20 5 EDBDLO O=[N+]([O-])c1cnn(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000853532039 595787856 /nfs/dbraw/zinc/78/78/56/595787856.db2.gz PZURJXRAIPDMLZ-SJORKVTESA-N 1 2 343.387 1.334 20 5 EDBDLO C[C@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)COC(=O)N1 ZINC000861005100 595863269 /nfs/dbraw/zinc/86/32/69/595863269.db2.gz GSRFCFGDRVOSSI-HNNXBMFYSA-N 1 2 346.299 1.436 20 5 EDBDLO CC(C)(CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[N+](=O)[O-] ZINC000854410904 596067489 /nfs/dbraw/zinc/06/74/89/596067489.db2.gz IACJOIXFJOAOPA-LBPRGKRZSA-N 1 2 339.396 1.233 20 5 EDBDLO CC(C)(CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[N+](=O)[O-] ZINC000854410904 596067493 /nfs/dbraw/zinc/06/74/93/596067493.db2.gz IACJOIXFJOAOPA-LBPRGKRZSA-N 1 2 339.396 1.233 20 5 EDBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852495085 596181751 /nfs/dbraw/zinc/18/17/51/596181751.db2.gz HINWGPSJUWYOLU-LLVKDONJSA-N 1 2 343.767 1.534 20 5 EDBDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852495085 596181754 /nfs/dbraw/zinc/18/17/54/596181754.db2.gz HINWGPSJUWYOLU-LLVKDONJSA-N 1 2 343.767 1.534 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000867712325 596509496 /nfs/dbraw/zinc/50/94/96/596509496.db2.gz ZCKHRVVLAQFBIO-LBPRGKRZSA-N 1 2 345.396 1.615 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000867712325 596509498 /nfs/dbraw/zinc/50/94/98/596509498.db2.gz ZCKHRVVLAQFBIO-LBPRGKRZSA-N 1 2 345.396 1.615 20 5 EDBDLO Cc1nn(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000863333392 596554062 /nfs/dbraw/zinc/55/40/62/596554062.db2.gz RRTQDJQZLAWNRE-JTQLQIEISA-N 1 2 327.385 1.902 20 5 EDBDLO Cc1nn(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000863333392 596554064 /nfs/dbraw/zinc/55/40/64/596554064.db2.gz RRTQDJQZLAWNRE-JTQLQIEISA-N 1 2 327.385 1.902 20 5 EDBDLO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000865925878 596724233 /nfs/dbraw/zinc/72/42/33/596724233.db2.gz NWSDCHUYTYHWSQ-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000865925878 596724235 /nfs/dbraw/zinc/72/42/35/596724235.db2.gz NWSDCHUYTYHWSQ-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000870121798 596759816 /nfs/dbraw/zinc/75/98/16/596759816.db2.gz HGJMAOCDJUWBKP-CYBMUJFWSA-N 1 2 343.387 1.847 20 5 EDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cs1 ZINC000119861514 596760183 /nfs/dbraw/zinc/76/01/83/596760183.db2.gz SJNPHXSPCBZVGI-JTQLQIEISA-N 1 2 329.403 1.291 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)cc1[N+](=O)[O-] ZINC000874705730 597151011 /nfs/dbraw/zinc/15/10/11/597151011.db2.gz YQGVJMBSPHIHFW-OAHLLOKOSA-N 1 2 335.404 1.998 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)cc1[N+](=O)[O-] ZINC000874705730 597151012 /nfs/dbraw/zinc/15/10/12/597151012.db2.gz YQGVJMBSPHIHFW-OAHLLOKOSA-N 1 2 335.404 1.998 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874897270 597213008 /nfs/dbraw/zinc/21/30/08/597213008.db2.gz ZCGACWJHQPIDDX-HNNXBMFYSA-N 1 2 347.350 1.494 20 5 EDBDLO CCc1c[nH]c(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000873788024 597390299 /nfs/dbraw/zinc/39/02/99/597390299.db2.gz AQFMZLURHWFUKG-UHFFFAOYSA-N 1 2 343.387 1.772 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000125394268 597400456 /nfs/dbraw/zinc/40/04/56/597400456.db2.gz ACQLVEFZJQFFNS-GFCCVEGCSA-N 1 2 348.359 1.308 20 5 EDBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000125394268 597400458 /nfs/dbraw/zinc/40/04/58/597400458.db2.gz ACQLVEFZJQFFNS-GFCCVEGCSA-N 1 2 348.359 1.308 20 5 EDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877793585 597558045 /nfs/dbraw/zinc/55/80/45/597558045.db2.gz OZEBCPGQDKPJIR-SUXDSQMHSA-N 1 2 336.413 1.975 20 5 EDBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877793585 597558046 /nfs/dbraw/zinc/55/80/46/597558046.db2.gz OZEBCPGQDKPJIR-SUXDSQMHSA-N 1 2 336.413 1.975 20 5 EDBDLO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000153740910 696021007 /nfs/dbraw/zinc/02/10/07/696021007.db2.gz UVUHUCULYJYQGD-HUUCEWRRSA-N 1 2 342.417 1.527 20 5 EDBDLO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000153740910 696021009 /nfs/dbraw/zinc/02/10/09/696021009.db2.gz UVUHUCULYJYQGD-HUUCEWRRSA-N 1 2 342.417 1.527 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccns1 ZINC001031706965 697695536 /nfs/dbraw/zinc/69/55/36/697695536.db2.gz NLACENONLKZKGF-UHFFFAOYSA-N 1 2 332.385 1.913 20 5 EDBDLO O=C(N[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642319 710317863 /nfs/dbraw/zinc/31/78/63/710317863.db2.gz ACIOFMHDGGJHDR-FDYHWXHSSA-N 1 2 349.391 1.129 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1F ZINC000558732252 306246246 /nfs/dbraw/zinc/24/62/46/306246246.db2.gz JMIBGGLJSOTUBF-LBPRGKRZSA-N 1 2 344.306 1.710 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000563064032 306317504 /nfs/dbraw/zinc/31/75/04/306317504.db2.gz VMRZOXPHYDJGTC-UHFFFAOYSA-N 1 2 341.433 1.872 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000563064032 306317505 /nfs/dbraw/zinc/31/75/05/306317505.db2.gz VMRZOXPHYDJGTC-UHFFFAOYSA-N 1 2 341.433 1.872 20 5 EDBDLO O=C(C[N@@H+]1CCc2sccc2C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000129923673 138339148 /nfs/dbraw/zinc/33/91/48/138339148.db2.gz OMIDVUFRDLIIJT-UHFFFAOYSA-N 1 2 335.389 1.027 20 5 EDBDLO O=C(C[N@H+]1CCc2sccc2C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000129923673 138339149 /nfs/dbraw/zinc/33/91/49/138339149.db2.gz OMIDVUFRDLIIJT-UHFFFAOYSA-N 1 2 335.389 1.027 20 5 EDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186946587 236074018 /nfs/dbraw/zinc/07/40/18/236074018.db2.gz DKOXNUODAYAHHA-JTQLQIEISA-N 1 2 327.406 1.574 20 5 EDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186946587 236074021 /nfs/dbraw/zinc/07/40/21/236074021.db2.gz DKOXNUODAYAHHA-JTQLQIEISA-N 1 2 327.406 1.574 20 5 EDBDLO O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187393591 236198312 /nfs/dbraw/zinc/19/83/12/236198312.db2.gz MFZICPLETFNXGG-WFASDCNBSA-N 1 2 330.344 1.814 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000092843616 218176458 /nfs/dbraw/zinc/17/64/58/218176458.db2.gz YATLPALTLSGVBH-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000092843616 218176459 /nfs/dbraw/zinc/17/64/59/218176459.db2.gz YATLPALTLSGVBH-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1C[C@H](C)O ZINC000253028514 139205484 /nfs/dbraw/zinc/20/54/84/139205484.db2.gz HWQQQPVFEVRTTC-AAEUAGOBSA-N 1 2 337.376 1.218 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1C[C@H](C)O ZINC000253028514 139205485 /nfs/dbraw/zinc/20/54/85/139205485.db2.gz HWQQQPVFEVRTTC-AAEUAGOBSA-N 1 2 337.376 1.218 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccnn1C ZINC000459781637 255000272 /nfs/dbraw/zinc/00/02/72/255000272.db2.gz ZGSGTMATVMJJLR-CQSZACIVSA-N 1 2 334.376 1.939 20 5 EDBDLO Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000492298055 255168531 /nfs/dbraw/zinc/16/85/31/255168531.db2.gz WOKBMCCVNYBEPS-LLVKDONJSA-N 1 2 336.373 1.393 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493802452 255221912 /nfs/dbraw/zinc/22/19/12/255221912.db2.gz JMOFTERREMFKNP-MOEXGYKKSA-N 1 2 333.388 1.835 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493802452 255221913 /nfs/dbraw/zinc/22/19/13/255221913.db2.gz JMOFTERREMFKNP-MOEXGYKKSA-N 1 2 333.388 1.835 20 5 EDBDLO COCCO[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000189653247 533197155 /nfs/dbraw/zinc/19/71/55/533197155.db2.gz HHJZZVXQZMUIRW-HNNXBMFYSA-N 1 2 349.387 1.221 20 5 EDBDLO COCCO[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000189653247 533197159 /nfs/dbraw/zinc/19/71/59/533197159.db2.gz HHJZZVXQZMUIRW-HNNXBMFYSA-N 1 2 349.387 1.221 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000189782806 285326494 /nfs/dbraw/zinc/32/64/94/285326494.db2.gz UWTHAJNRUNCPTG-UHFFFAOYSA-N 1 2 327.406 1.538 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000264212302 139387389 /nfs/dbraw/zinc/38/73/89/139387389.db2.gz FZFMBTAVEBYLAR-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H](C)[NH+]1CCOCC1 ZINC000264220122 139387766 /nfs/dbraw/zinc/38/77/66/139387766.db2.gz GZJNQBARMFTYKD-NXEZZACHSA-N 1 2 340.355 1.155 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264355621 139399721 /nfs/dbraw/zinc/39/97/21/139399721.db2.gz XWQLIEZCNWLYQA-UHFFFAOYSA-N 1 2 329.360 1.859 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000347352605 533407911 /nfs/dbraw/zinc/40/79/11/533407911.db2.gz FMYUZMWJOLIVOL-SDNWHVSQSA-N 1 2 346.431 1.880 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000347352605 533407913 /nfs/dbraw/zinc/40/79/13/533407913.db2.gz FMYUZMWJOLIVOL-SDNWHVSQSA-N 1 2 346.431 1.880 20 5 EDBDLO COC(=O)C1(O)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271377630 140287649 /nfs/dbraw/zinc/28/76/49/140287649.db2.gz JTRWNSVBSPNQBS-UHFFFAOYSA-N 1 2 328.752 1.748 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416389799 304314529 /nfs/dbraw/zinc/31/45/29/304314529.db2.gz NPKMDDAOLWXVBX-GFCCVEGCSA-N 1 2 327.406 1.536 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416389799 304314531 /nfs/dbraw/zinc/31/45/31/304314531.db2.gz NPKMDDAOLWXVBX-GFCCVEGCSA-N 1 2 327.406 1.536 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)[C@H]1CCNC1=O ZINC000340221960 142310153 /nfs/dbraw/zinc/31/01/53/142310153.db2.gz MQKTYDGYCHUPKO-SKDRFNHKSA-N 1 2 331.332 1.526 20 5 EDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340221960 142310154 /nfs/dbraw/zinc/31/01/54/142310154.db2.gz MQKTYDGYCHUPKO-SKDRFNHKSA-N 1 2 331.332 1.526 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346082855 143165705 /nfs/dbraw/zinc/16/57/05/143165705.db2.gz PTUKJFRNRAPZAF-ZWNOBZJWSA-N 1 2 338.339 1.130 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](F)C[C@@H]1C(N)=O ZINC000346082855 143165706 /nfs/dbraw/zinc/16/57/06/143165706.db2.gz PTUKJFRNRAPZAF-ZWNOBZJWSA-N 1 2 338.339 1.130 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000347099403 143282641 /nfs/dbraw/zinc/28/26/41/143282641.db2.gz MIDURWWZGQFQEW-UHFFFAOYSA-N 1 2 345.359 1.413 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000347504192 143329657 /nfs/dbraw/zinc/32/96/57/143329657.db2.gz TVNAHHAROZWGAR-UHFFFAOYSA-N 1 2 340.343 1.991 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000355101950 150116274 /nfs/dbraw/zinc/11/62/74/150116274.db2.gz KKBRIEGWLGTIMN-ZDUSSCGKSA-N 1 2 334.376 1.639 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000355101950 150116276 /nfs/dbraw/zinc/11/62/76/150116276.db2.gz KKBRIEGWLGTIMN-ZDUSSCGKSA-N 1 2 334.376 1.639 20 5 EDBDLO Cc1c(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000355362031 150235394 /nfs/dbraw/zinc/23/53/94/150235394.db2.gz BKINLARTJNBQKQ-UHFFFAOYSA-N 1 2 344.375 1.976 20 5 EDBDLO CNc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000361137676 152317776 /nfs/dbraw/zinc/31/77/76/152317776.db2.gz ACFIDWCCSIPYDU-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000363966282 153110079 /nfs/dbraw/zinc/11/00/79/153110079.db2.gz FZAZUHFGQHJPPD-LLVKDONJSA-N 1 2 332.364 1.993 20 5 EDBDLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000364273643 153193528 /nfs/dbraw/zinc/19/35/28/153193528.db2.gz QEJBXHYTSGFDNK-NEPJUHHUSA-N 1 2 332.364 1.993 20 5 EDBDLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000364273643 153193530 /nfs/dbraw/zinc/19/35/30/153193530.db2.gz QEJBXHYTSGFDNK-NEPJUHHUSA-N 1 2 332.364 1.993 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000364502030 153254189 /nfs/dbraw/zinc/25/41/89/153254189.db2.gz PSTLVQJDBFFMSF-SNVBAGLBSA-N 1 2 340.343 1.721 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1OC ZINC000364727212 153315209 /nfs/dbraw/zinc/31/52/09/153315209.db2.gz LKVWEBHJNGVIKO-JTQLQIEISA-N 1 2 346.343 1.553 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000178156583 292286907 /nfs/dbraw/zinc/28/69/07/292286907.db2.gz ALIZOQGFQYVNPU-UHFFFAOYSA-N 1 2 347.419 1.433 20 5 EDBDLO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000366790529 153919752 /nfs/dbraw/zinc/91/97/52/153919752.db2.gz PXQWTOWOFDPHPJ-AWEZNQCLSA-N 1 2 349.387 1.215 20 5 EDBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083891 154004025 /nfs/dbraw/zinc/00/40/25/154004025.db2.gz JQJBYFMZICBHFW-CQSZACIVSA-N 1 2 342.355 1.542 20 5 EDBDLO CCc1nn(C)c(N2CCC[N@H+](Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000367447639 154126134 /nfs/dbraw/zinc/12/61/34/154126134.db2.gz FUMHKFOVVKSOPZ-UHFFFAOYSA-N 1 2 347.423 1.337 20 5 EDBDLO CCc1nn(C)c(N2CCC[N@@H+](Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000367447639 154126136 /nfs/dbraw/zinc/12/61/36/154126136.db2.gz FUMHKFOVVKSOPZ-UHFFFAOYSA-N 1 2 347.423 1.337 20 5 EDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374349622 157256292 /nfs/dbraw/zinc/25/62/92/157256292.db2.gz ZUILGFYCDFQNSY-OAHLLOKOSA-N 1 2 326.356 1.705 20 5 EDBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374373328 157265017 /nfs/dbraw/zinc/26/50/17/157265017.db2.gz HVNIJZFMUBDSLJ-AWEZNQCLSA-N 1 2 330.319 1.916 20 5 EDBDLO COc1cc(C[NH+]2CCN(c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000352541452 162239783 /nfs/dbraw/zinc/23/97/83/162239783.db2.gz YAKBDVDXTFTNTI-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000451931623 287189869 /nfs/dbraw/zinc/18/98/69/287189869.db2.gz LOOCBFYQWORSQM-LLVKDONJSA-N 1 2 345.396 1.839 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000451931623 287189871 /nfs/dbraw/zinc/18/98/71/287189871.db2.gz LOOCBFYQWORSQM-LLVKDONJSA-N 1 2 345.396 1.839 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000076776418 287285927 /nfs/dbraw/zinc/28/59/27/287285927.db2.gz LYTJZQAVWVGITR-GFCCVEGCSA-N 1 2 348.403 1.620 20 5 EDBDLO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090552011 287331086 /nfs/dbraw/zinc/33/10/86/287331086.db2.gz VWYQCVFYOVMHTR-UHFFFAOYSA-N 1 2 337.376 1.564 20 5 EDBDLO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090552011 287331087 /nfs/dbraw/zinc/33/10/87/287331087.db2.gz VWYQCVFYOVMHTR-UHFFFAOYSA-N 1 2 337.376 1.564 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370603102 304501326 /nfs/dbraw/zinc/50/13/26/304501326.db2.gz SDRJYDMXUXJQEY-ZDUSSCGKSA-N 1 2 349.387 1.485 20 5 EDBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273391632 268041529 /nfs/dbraw/zinc/04/15/29/268041529.db2.gz UZYPTGCBPVMEMC-OLZOCXBDSA-N 1 2 340.376 1.606 20 5 EDBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273391632 268041531 /nfs/dbraw/zinc/04/15/31/268041531.db2.gz UZYPTGCBPVMEMC-OLZOCXBDSA-N 1 2 340.376 1.606 20 5 EDBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000273991208 268095085 /nfs/dbraw/zinc/09/50/85/268095085.db2.gz JSPRXHFJBNUYEY-MRVPVSSYSA-N 1 2 338.755 1.666 20 5 EDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000274659404 268178028 /nfs/dbraw/zinc/17/80/28/268178028.db2.gz YKCDDSIUUSXTAS-QGZVFWFLSA-N 1 2 347.415 1.754 20 5 EDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000274659404 268178030 /nfs/dbraw/zinc/17/80/30/268178030.db2.gz YKCDDSIUUSXTAS-QGZVFWFLSA-N 1 2 347.415 1.754 20 5 EDBDLO COc1cc(CCNC(=O)C=Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000276763699 268471956 /nfs/dbraw/zinc/47/19/56/268471956.db2.gz XJIQUBRYTZITHO-ONEGZZNKSA-N 1 2 346.343 1.707 20 5 EDBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000273453281 273040731 /nfs/dbraw/zinc/04/07/31/273040731.db2.gz PESKARFRTULXDZ-NSHDSACASA-N 1 2 336.373 1.509 20 5 EDBDLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284193137 274111697 /nfs/dbraw/zinc/11/16/97/274111697.db2.gz STYBXNPOHHVQEW-KBPBESRZSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284193137 274111701 /nfs/dbraw/zinc/11/17/01/274111701.db2.gz STYBXNPOHHVQEW-KBPBESRZSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000364503258 274118671 /nfs/dbraw/zinc/11/86/71/274118671.db2.gz ZOINKGIDBLBXOR-LLVKDONJSA-N 1 2 330.344 1.853 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284476382 274215962 /nfs/dbraw/zinc/21/59/62/274215962.db2.gz MCRFUXMKTYVDLY-HZPDHXFCSA-N 1 2 349.387 1.539 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284476382 274215963 /nfs/dbraw/zinc/21/59/63/274215963.db2.gz MCRFUXMKTYVDLY-HZPDHXFCSA-N 1 2 349.387 1.539 20 5 EDBDLO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000284754305 274319241 /nfs/dbraw/zinc/31/92/41/274319241.db2.gz ZFHMMTZUOSVODI-WDEREUQCSA-N 1 2 343.767 1.268 20 5 EDBDLO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000284754305 274319243 /nfs/dbraw/zinc/31/92/43/274319243.db2.gz ZFHMMTZUOSVODI-WDEREUQCSA-N 1 2 343.767 1.268 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284897982 274378708 /nfs/dbraw/zinc/37/87/08/274378708.db2.gz UQTRSRPKGQUPHW-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284897982 274378711 /nfs/dbraw/zinc/37/87/11/274378711.db2.gz UQTRSRPKGQUPHW-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284897982 274378714 /nfs/dbraw/zinc/37/87/14/274378714.db2.gz UQTRSRPKGQUPHW-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284897982 274378715 /nfs/dbraw/zinc/37/87/15/274378715.db2.gz UQTRSRPKGQUPHW-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO CCN1CCO[C@H](C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)C1 ZINC000369348694 276393142 /nfs/dbraw/zinc/39/31/42/276393142.db2.gz UUVSVGXEGHYHTQ-HNNXBMFYSA-N 1 2 349.435 1.141 20 5 EDBDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194278931 277761761 /nfs/dbraw/zinc/76/17/61/277761761.db2.gz FYJJEOFTURFCMM-QMTHXVAHSA-N 1 2 343.343 1.035 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286415106 288000751 /nfs/dbraw/zinc/00/07/51/288000751.db2.gz AZPCLYZWWLRCJH-DZGCQCFKSA-N 1 2 333.388 1.838 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286491302 288018714 /nfs/dbraw/zinc/01/87/14/288018714.db2.gz LLSZSIVADVHMID-XJKSGUPXSA-N 1 2 348.403 1.599 20 5 EDBDLO Cn1c[nH+]c2c1CCN(c1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])C2 ZINC000375811848 279387272 /nfs/dbraw/zinc/38/72/72/279387272.db2.gz HRUUBFWAXICPOT-UHFFFAOYSA-N 1 2 341.371 1.783 20 5 EDBDLO O=Cc1ccc(OCC(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000292188438 289283817 /nfs/dbraw/zinc/28/38/17/289283817.db2.gz YVSGTCGRHRPNHZ-UHFFFAOYSA-N 1 2 330.300 1.025 20 5 EDBDLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000350891637 295016722 /nfs/dbraw/zinc/01/67/22/295016722.db2.gz ASJZENGSOSPIEB-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000350891637 295016725 /nfs/dbraw/zinc/01/67/25/295016725.db2.gz ASJZENGSOSPIEB-MNOVXSKESA-N 1 2 343.405 1.317 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000296141939 303298503 /nfs/dbraw/zinc/29/85/03/303298503.db2.gz JRQGVJWLJVIDCS-IAQYHMDHSA-N 1 2 337.376 1.777 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000296141939 303298505 /nfs/dbraw/zinc/29/85/05/303298505.db2.gz JRQGVJWLJVIDCS-IAQYHMDHSA-N 1 2 337.376 1.777 20 5 EDBDLO COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000299045990 303581491 /nfs/dbraw/zinc/58/14/91/303581491.db2.gz VCECMVSUBMUTFY-GFCCVEGCSA-N 1 2 344.327 1.416 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000432886109 305097052 /nfs/dbraw/zinc/09/70/52/305097052.db2.gz BSVZTLXRPUDCNC-CJNGLKHVSA-N 1 2 344.371 1.907 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000432891646 305097203 /nfs/dbraw/zinc/09/72/03/305097203.db2.gz GCGYCAPLUPXYEW-MFKMUULPSA-N 1 2 333.348 1.317 20 5 EDBDLO Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)ncc1[N+](=O)[O-] ZINC000450267978 305328868 /nfs/dbraw/zinc/32/88/68/305328868.db2.gz DYFBWTVGJCRMEJ-CQSZACIVSA-N 1 2 339.421 1.313 20 5 EDBDLO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451458020 305347718 /nfs/dbraw/zinc/34/77/18/305347718.db2.gz MNOFVIDTABYIOM-JOYOIKCWSA-N 1 2 337.332 1.107 20 5 EDBDLO C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451458020 305347719 /nfs/dbraw/zinc/34/77/19/305347719.db2.gz MNOFVIDTABYIOM-JOYOIKCWSA-N 1 2 337.332 1.107 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000543541092 306064684 /nfs/dbraw/zinc/06/46/84/306064684.db2.gz CMDGQQQQJOOQBI-DTWKUNHWSA-N 1 2 349.347 1.973 20 5 EDBDLO CNc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000554580075 306195902 /nfs/dbraw/zinc/19/59/02/306195902.db2.gz BOHAGQWDNXCPSJ-HNNXBMFYSA-N 1 2 341.371 1.818 20 5 EDBDLO CC(C)[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449958180 447419454 /nfs/dbraw/zinc/41/94/54/447419454.db2.gz GISZHUOWZPZUOZ-INIZCTEOSA-N 1 2 332.360 1.917 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000458629546 447430076 /nfs/dbraw/zinc/43/00/76/447430076.db2.gz YUZWIRHMVBQROH-MCIONIFRSA-N 1 2 348.403 1.818 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000458629546 447430083 /nfs/dbraw/zinc/43/00/83/447430083.db2.gz YUZWIRHMVBQROH-MCIONIFRSA-N 1 2 348.403 1.818 20 5 EDBDLO CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000047031093 441150405 /nfs/dbraw/zinc/15/04/05/441150405.db2.gz ALNPILCKNHQFTM-UHFFFAOYSA-N 1 2 343.405 1.320 20 5 EDBDLO CNS(=O)(=O)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015206515 441197063 /nfs/dbraw/zinc/19/70/63/441197063.db2.gz RSCLRLHUPSZVPI-UHFFFAOYSA-N 1 2 339.377 1.202 20 5 EDBDLO O=C(C[NH+]1CCC(CO)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071955880 441200892 /nfs/dbraw/zinc/20/08/92/441200892.db2.gz OYIHRHBLCHEIHY-UHFFFAOYSA-N 1 2 327.768 1.891 20 5 EDBDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000081958202 441326495 /nfs/dbraw/zinc/32/64/95/441326495.db2.gz JFKPMCQEWKFHFJ-CYBMUJFWSA-N 1 2 331.332 1.254 20 5 EDBDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000081958202 441326496 /nfs/dbraw/zinc/32/64/96/441326496.db2.gz JFKPMCQEWKFHFJ-CYBMUJFWSA-N 1 2 331.332 1.254 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000026227906 441371189 /nfs/dbraw/zinc/37/11/89/441371189.db2.gz ZTOLBLHTEQZOAY-UHFFFAOYSA-N 1 2 325.365 1.437 20 5 EDBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000107293542 441407471 /nfs/dbraw/zinc/40/74/71/441407471.db2.gz LGZCEEMRXHFBKO-UHFFFAOYSA-N 1 2 335.341 1.954 20 5 EDBDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028927778 441441238 /nfs/dbraw/zinc/44/12/38/441441238.db2.gz ZFNXGHDSSDPSPF-CYBMUJFWSA-N 1 2 349.387 1.833 20 5 EDBDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028927778 441441241 /nfs/dbraw/zinc/44/12/41/441441241.db2.gz ZFNXGHDSSDPSPF-CYBMUJFWSA-N 1 2 349.387 1.833 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000065734284 441479666 /nfs/dbraw/zinc/47/96/66/441479666.db2.gz KKNHQQWHQMSFEO-UHFFFAOYSA-N 1 2 326.316 1.924 20 5 EDBDLO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052587231 441461907 /nfs/dbraw/zinc/46/19/07/441461907.db2.gz VCXWVXQRCBNFRB-GARJFASQSA-N 1 2 327.406 1.884 20 5 EDBDLO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052587231 441461911 /nfs/dbraw/zinc/46/19/11/441461911.db2.gz VCXWVXQRCBNFRB-GARJFASQSA-N 1 2 327.406 1.884 20 5 EDBDLO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605385 441515711 /nfs/dbraw/zinc/51/57/11/441515711.db2.gz QLDUVDAITISHMV-ZDUSSCGKSA-N 1 2 335.404 1.884 20 5 EDBDLO CCOCCCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605385 441515717 /nfs/dbraw/zinc/51/57/17/441515717.db2.gz QLDUVDAITISHMV-ZDUSSCGKSA-N 1 2 335.404 1.884 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000109736803 441503892 /nfs/dbraw/zinc/50/38/92/441503892.db2.gz NNVWFSMWZVOCFX-UHFFFAOYSA-N 1 2 345.359 1.262 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000089885773 441589883 /nfs/dbraw/zinc/58/98/83/441589883.db2.gz FFFBYZLMMLSNHZ-VXGBXAGGSA-N 1 2 339.417 1.718 20 5 EDBDLO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042098083 441703768 /nfs/dbraw/zinc/70/37/68/441703768.db2.gz MTPFMOQBTKIMRG-UHFFFAOYSA-N 1 2 338.383 1.771 20 5 EDBDLO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042098083 441703772 /nfs/dbraw/zinc/70/37/72/441703772.db2.gz MTPFMOQBTKIMRG-UHFFFAOYSA-N 1 2 338.383 1.771 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042110198 441706329 /nfs/dbraw/zinc/70/63/29/441706329.db2.gz FBQPKUMJWHDLPJ-UHFFFAOYSA-N 1 2 343.387 1.353 20 5 EDBDLO CC(C)OC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000173519884 441776889 /nfs/dbraw/zinc/77/68/89/441776889.db2.gz OKMGKIINCFXTNM-UHFFFAOYSA-N 1 2 349.387 1.694 20 5 EDBDLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000159146783 441790769 /nfs/dbraw/zinc/79/07/69/441790769.db2.gz NLMASWWEPXAEIH-UHFFFAOYSA-N 1 2 345.359 1.080 20 5 EDBDLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159146783 441790773 /nfs/dbraw/zinc/79/07/73/441790773.db2.gz NLMASWWEPXAEIH-UHFFFAOYSA-N 1 2 345.359 1.080 20 5 EDBDLO O=C(CCn1cc[nH+]c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000078345783 441921178 /nfs/dbraw/zinc/92/11/78/441921178.db2.gz LDTNXFVVYASQOO-UHFFFAOYSA-N 1 2 329.360 1.530 20 5 EDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161209511 441972923 /nfs/dbraw/zinc/97/29/23/441972923.db2.gz ZYSALHMTMCEWRU-ZDUSSCGKSA-N 1 2 342.355 1.764 20 5 EDBDLO Cc1nn(C)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000161291770 441982205 /nfs/dbraw/zinc/98/22/05/441982205.db2.gz XWFIJTIRJCBNQS-LLVKDONJSA-N 1 2 330.348 1.040 20 5 EDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170909578 442287402 /nfs/dbraw/zinc/28/74/02/442287402.db2.gz TVOAFSGNKAPOJT-CYBMUJFWSA-N 1 2 345.359 1.745 20 5 EDBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170909578 442287403 /nfs/dbraw/zinc/28/74/03/442287403.db2.gz TVOAFSGNKAPOJT-CYBMUJFWSA-N 1 2 345.359 1.745 20 5 EDBDLO Nc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000178147151 442411458 /nfs/dbraw/zinc/41/14/58/442411458.db2.gz OOJSSAVJFOHWCP-UHFFFAOYSA-N 1 2 327.344 1.534 20 5 EDBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000133804828 442435140 /nfs/dbraw/zinc/43/51/40/442435140.db2.gz YKLVSECBFIQCSX-NSHDSACASA-N 1 2 347.350 1.976 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000191535955 442460148 /nfs/dbraw/zinc/46/01/48/442460148.db2.gz DNNFELYCTDHTJY-UHFFFAOYSA-N 1 2 344.375 1.605 20 5 EDBDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000157644733 442600594 /nfs/dbraw/zinc/60/05/94/442600594.db2.gz AOTQHNNDVRDERY-UHFFFAOYSA-N 1 2 348.403 1.188 20 5 EDBDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000157644733 442600596 /nfs/dbraw/zinc/60/05/96/442600596.db2.gz AOTQHNNDVRDERY-UHFFFAOYSA-N 1 2 348.403 1.188 20 5 EDBDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298188846 318798210 /nfs/dbraw/zinc/79/82/10/318798210.db2.gz WRNZXGCCHSPZDG-CYBMUJFWSA-N 1 2 349.435 1.805 20 5 EDBDLO C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411625080 319190396 /nfs/dbraw/zinc/19/03/96/319190396.db2.gz VOOXBRFNXIYIDP-LLVKDONJSA-N 1 2 330.348 1.592 20 5 EDBDLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411625080 319190399 /nfs/dbraw/zinc/19/03/99/319190399.db2.gz VOOXBRFNXIYIDP-LLVKDONJSA-N 1 2 330.348 1.592 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1OC(F)F ZINC000269396873 443302986 /nfs/dbraw/zinc/30/29/86/443302986.db2.gz WJLGVOVCPFQJFH-LLVKDONJSA-N 1 2 347.318 1.301 20 5 EDBDLO CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000272594372 443376276 /nfs/dbraw/zinc/37/62/76/443376276.db2.gz WIBASUAXFUVOHS-ZDUSSCGKSA-N 1 2 337.376 1.483 20 5 EDBDLO CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000272594372 443376280 /nfs/dbraw/zinc/37/62/80/443376280.db2.gz WIBASUAXFUVOHS-ZDUSSCGKSA-N 1 2 337.376 1.483 20 5 EDBDLO COc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)ccc1[N+](=O)[O-] ZINC000269555699 443346735 /nfs/dbraw/zinc/34/67/35/443346735.db2.gz GYRCQKYHPARGGB-UHFFFAOYSA-N 1 2 341.433 1.858 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272794071 443446687 /nfs/dbraw/zinc/44/66/87/443446687.db2.gz CMXITBLLNKIGFY-MRVPVSSYSA-N 1 2 330.391 1.757 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423719550 319806134 /nfs/dbraw/zinc/80/61/34/319806134.db2.gz CIOJCZURNBCSDK-UHFFFAOYSA-N 1 2 331.332 1.214 20 5 EDBDLO C[C@H](C[S@@](C)=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273147353 443551382 /nfs/dbraw/zinc/55/13/82/443551382.db2.gz GQFDNFQUXVCCKK-NKBPOABBSA-N 1 2 336.417 1.774 20 5 EDBDLO CCCn1ncnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447889510 320146084 /nfs/dbraw/zinc/14/60/84/320146084.db2.gz HTPVMNBEVBEVHD-GFCCVEGCSA-N 1 2 331.380 1.678 20 5 EDBDLO CCCn1ncnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447889510 320146086 /nfs/dbraw/zinc/14/60/86/320146086.db2.gz HTPVMNBEVBEVHD-GFCCVEGCSA-N 1 2 331.380 1.678 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000276413562 443698948 /nfs/dbraw/zinc/69/89/48/443698948.db2.gz HORFMCLZQVVDSM-LBPRGKRZSA-N 1 2 329.784 1.662 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(C)cc1[N+](=O)[O-] ZINC000516937646 320443636 /nfs/dbraw/zinc/44/36/36/320443636.db2.gz ANARGQBOYFPFNM-LLVKDONJSA-N 1 2 349.359 1.439 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000276563836 443747898 /nfs/dbraw/zinc/74/78/98/443747898.db2.gz SQXURHQYUCZZRW-INIZCTEOSA-N 1 2 333.388 1.778 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000276563836 443747901 /nfs/dbraw/zinc/74/79/01/443747901.db2.gz SQXURHQYUCZZRW-INIZCTEOSA-N 1 2 333.388 1.778 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)C(F)F)c1 ZINC000292906229 443875351 /nfs/dbraw/zinc/87/53/51/443875351.db2.gz ZZAPUIMVPNCHRY-OLZOCXBDSA-N 1 2 326.303 1.748 20 5 EDBDLO COCCOCCOCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285373807 443960548 /nfs/dbraw/zinc/96/05/48/443960548.db2.gz RKMDIOFIZSWUIZ-UHFFFAOYSA-N 1 2 348.346 1.984 20 5 EDBDLO COCCOCCOCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285373807 443960550 /nfs/dbraw/zinc/96/05/50/443960550.db2.gz RKMDIOFIZSWUIZ-UHFFFAOYSA-N 1 2 348.346 1.984 20 5 EDBDLO COCC[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000299245904 443994476 /nfs/dbraw/zinc/99/44/76/443994476.db2.gz PFXRWPCRRQNJTE-UHFFFAOYSA-N 1 2 347.375 1.265 20 5 EDBDLO COCC[N@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000299245904 443994478 /nfs/dbraw/zinc/99/44/78/443994478.db2.gz PFXRWPCRRQNJTE-UHFFFAOYSA-N 1 2 347.375 1.265 20 5 EDBDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285611740 444048332 /nfs/dbraw/zinc/04/83/32/444048332.db2.gz KHMWLNWOLXZPBT-OCCSQVGLSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000285611740 444048336 /nfs/dbraw/zinc/04/83/36/444048336.db2.gz KHMWLNWOLXZPBT-OCCSQVGLSA-N 1 2 348.359 1.863 20 5 EDBDLO O=C(C[N@@H+]1CCOC[C@@H]1C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000564930272 321158355 /nfs/dbraw/zinc/15/83/55/321158355.db2.gz MIPQUPRLCKTCNL-QGZVFWFLSA-N 1 2 345.399 1.985 20 5 EDBDLO O=C(C[N@H+]1CCOC[C@@H]1C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000564930272 321158356 /nfs/dbraw/zinc/15/83/56/321158356.db2.gz MIPQUPRLCKTCNL-QGZVFWFLSA-N 1 2 345.399 1.985 20 5 EDBDLO Cc1c(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1C ZINC000568498423 321293941 /nfs/dbraw/zinc/29/39/41/321293941.db2.gz AVEMSOGZOBSLLS-INIZCTEOSA-N 1 2 343.387 1.874 20 5 EDBDLO Cc1c(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1C ZINC000568498423 321293942 /nfs/dbraw/zinc/29/39/42/321293942.db2.gz AVEMSOGZOBSLLS-INIZCTEOSA-N 1 2 343.387 1.874 20 5 EDBDLO O=c1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289398368 444130552 /nfs/dbraw/zinc/13/05/52/444130552.db2.gz KSPXFOGWNGWXQW-SNVBAGLBSA-N 1 2 348.319 1.294 20 5 EDBDLO O=c1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289398368 444130554 /nfs/dbraw/zinc/13/05/54/444130554.db2.gz KSPXFOGWNGWXQW-SNVBAGLBSA-N 1 2 348.319 1.294 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285863625 444133344 /nfs/dbraw/zinc/13/33/44/444133344.db2.gz PWKJRNFGSTYKJK-DZGCQCFKSA-N 1 2 349.387 1.295 20 5 EDBDLO C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000305886647 444284910 /nfs/dbraw/zinc/28/49/10/444284910.db2.gz YKYYLLLKWRFZDA-WCQYABFASA-N 1 2 330.344 1.623 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000327533411 444382803 /nfs/dbraw/zinc/38/28/03/444382803.db2.gz OYPSTIPUSMCDQP-FWWRYZNZSA-N 1 2 344.327 1.232 20 5 EDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000327533411 444382806 /nfs/dbraw/zinc/38/28/06/444382806.db2.gz OYPSTIPUSMCDQP-FWWRYZNZSA-N 1 2 344.327 1.232 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000338074951 444508971 /nfs/dbraw/zinc/50/89/71/444508971.db2.gz UXMDAZUISHUXGK-CQSZACIVSA-N 1 2 343.387 1.990 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000342357304 444653395 /nfs/dbraw/zinc/65/33/95/444653395.db2.gz RRGCDTNFMJHTAS-NSHDSACASA-N 1 2 346.347 1.148 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000342357304 444653400 /nfs/dbraw/zinc/65/34/00/444653400.db2.gz RRGCDTNFMJHTAS-NSHDSACASA-N 1 2 346.347 1.148 20 5 EDBDLO Cc1cc(NCCC[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000342427311 444687618 /nfs/dbraw/zinc/68/76/18/444687618.db2.gz MHEQWQUQDQCXEV-HSZRJFAPSA-N 1 2 334.401 1.963 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000341374820 444800947 /nfs/dbraw/zinc/80/09/47/444800947.db2.gz QWQBINUXQVYRAQ-CVEARBPZSA-N 1 2 348.403 1.518 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000341374820 444800952 /nfs/dbraw/zinc/80/09/52/444800952.db2.gz QWQBINUXQVYRAQ-CVEARBPZSA-N 1 2 348.403 1.518 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000338641814 444787844 /nfs/dbraw/zinc/78/78/44/444787844.db2.gz MNSXDKAXRBDMGO-GFCCVEGCSA-N 1 2 348.403 1.393 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1C ZINC000339073801 445020346 /nfs/dbraw/zinc/02/03/46/445020346.db2.gz MZDPWFSMVYJQDZ-RYUDHWBXSA-N 1 2 341.433 1.925 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000344520514 445030297 /nfs/dbraw/zinc/03/02/97/445030297.db2.gz BKCBSYMMGIRPRF-ZYHUDNBSSA-N 1 2 349.395 1.229 20 5 EDBDLO CS[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330603845 445056979 /nfs/dbraw/zinc/05/69/79/445056979.db2.gz KORFRNBDSCCDMB-QWHCGFSZSA-N 1 2 325.390 1.418 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCO1 ZINC000343108837 445071921 /nfs/dbraw/zinc/07/19/21/445071921.db2.gz SDAOPAKRSPTQHW-LLVKDONJSA-N 1 2 338.364 1.299 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCO1 ZINC000343108837 445071924 /nfs/dbraw/zinc/07/19/24/445071924.db2.gz SDAOPAKRSPTQHW-LLVKDONJSA-N 1 2 338.364 1.299 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000359984715 445514515 /nfs/dbraw/zinc/51/45/15/445514515.db2.gz CKTPKJXYBZRURK-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000359984715 445514520 /nfs/dbraw/zinc/51/45/20/445514520.db2.gz CKTPKJXYBZRURK-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCN2CCOCC2)c(Cl)c1 ZINC000360027955 445534894 /nfs/dbraw/zinc/53/48/94/445534894.db2.gz PSQPWROYKSBMOQ-UHFFFAOYSA-N 1 2 343.811 1.375 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCN2CCOCC2)c(Cl)c1 ZINC000360027955 445534897 /nfs/dbraw/zinc/53/48/97/445534897.db2.gz PSQPWROYKSBMOQ-UHFFFAOYSA-N 1 2 343.811 1.375 20 5 EDBDLO O=[N+]([O-])c1ccc(CN(CCO)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000360027955 445534899 /nfs/dbraw/zinc/53/48/99/445534899.db2.gz PSQPWROYKSBMOQ-UHFFFAOYSA-N 1 2 343.811 1.375 20 5 EDBDLO CN(Cc1cnn(C)c1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349545103 445609055 /nfs/dbraw/zinc/60/90/55/445609055.db2.gz KHDWQZFPELKCAT-UHFFFAOYSA-N 1 2 345.403 1.797 20 5 EDBDLO CC(C)NC(=O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353395488 445593058 /nfs/dbraw/zinc/59/30/58/445593058.db2.gz PUVJODSVQHAXCF-INIZCTEOSA-N 1 2 345.403 1.922 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000356146795 445646834 /nfs/dbraw/zinc/64/68/34/445646834.db2.gz GJPIIWCRVXXTJN-CQSZACIVSA-N 1 2 329.360 1.457 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000356146795 445646836 /nfs/dbraw/zinc/64/68/36/445646836.db2.gz GJPIIWCRVXXTJN-CQSZACIVSA-N 1 2 329.360 1.457 20 5 EDBDLO O=C(NCc1c[nH+]c[nH]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000358595058 445667076 /nfs/dbraw/zinc/66/70/76/445667076.db2.gz UIANOXRWAJLGMU-UHFFFAOYSA-N 1 2 329.360 1.851 20 5 EDBDLO O=C(NCc1c[nH]c[nH+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000358595058 445667079 /nfs/dbraw/zinc/66/70/79/445667079.db2.gz UIANOXRWAJLGMU-UHFFFAOYSA-N 1 2 329.360 1.851 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349859859 445702723 /nfs/dbraw/zinc/70/27/23/445702723.db2.gz MQKVKAOWEOXXCE-NSHDSACASA-N 1 2 336.352 1.313 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349859859 445702728 /nfs/dbraw/zinc/70/27/28/445702728.db2.gz MQKVKAOWEOXXCE-NSHDSACASA-N 1 2 336.352 1.313 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000363432454 445800705 /nfs/dbraw/zinc/80/07/05/445800705.db2.gz KHAWATGMMZUELP-GFCCVEGCSA-N 1 2 330.344 1.723 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361585405 445834329 /nfs/dbraw/zinc/83/43/29/445834329.db2.gz PTVZENWCSFBELM-CHWSQXEVSA-N 1 2 337.376 1.313 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361585405 445834332 /nfs/dbraw/zinc/83/43/32/445834332.db2.gz PTVZENWCSFBELM-CHWSQXEVSA-N 1 2 337.376 1.313 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000361791810 445950655 /nfs/dbraw/zinc/95/06/55/445950655.db2.gz FQEHIEBKXXOWFP-UHFFFAOYSA-N 1 2 344.327 1.562 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356791138 446023834 /nfs/dbraw/zinc/02/38/34/446023834.db2.gz YECILHTYHWWBRF-HNNXBMFYSA-N 1 2 329.312 1.989 20 5 EDBDLO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000365222637 446086867 /nfs/dbraw/zinc/08/68/67/446086867.db2.gz JIBCBPQMZOESJT-UONOGXRCSA-N 1 2 338.433 1.445 20 5 EDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000366237833 446099284 /nfs/dbraw/zinc/09/92/84/446099284.db2.gz AAHZPELLHFJOTF-QGZVFWFLSA-N 1 2 349.387 1.206 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000361980950 446124970 /nfs/dbraw/zinc/12/49/70/446124970.db2.gz ADGNZLOMEMAFBP-MRXNPFEDSA-N 1 2 332.360 1.571 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000361980950 446124973 /nfs/dbraw/zinc/12/49/73/446124973.db2.gz ADGNZLOMEMAFBP-MRXNPFEDSA-N 1 2 332.360 1.571 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374804488 446400952 /nfs/dbraw/zinc/40/09/52/446400952.db2.gz ZQPWAWOMXWJBAJ-UHFFFAOYSA-N 1 2 333.392 1.041 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374804488 446400954 /nfs/dbraw/zinc/40/09/54/446400954.db2.gz ZQPWAWOMXWJBAJ-UHFFFAOYSA-N 1 2 333.392 1.041 20 5 EDBDLO Cn1c[nH+]c2c1CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000370744385 446413145 /nfs/dbraw/zinc/41/31/45/446413145.db2.gz FBUVCBAEWDEWQC-UHFFFAOYSA-N 1 2 329.360 1.715 20 5 EDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2c([nH+]cn2C)C1 ZINC000370821488 446460281 /nfs/dbraw/zinc/46/02/81/446460281.db2.gz USFPWFNYYGPZEA-LLVKDONJSA-N 1 2 329.360 1.714 20 5 EDBDLO CO[C@H](C)c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000376476627 446519084 /nfs/dbraw/zinc/51/90/84/446519084.db2.gz ITIJIUHWACUYQY-SNVBAGLBSA-N 1 2 336.352 1.719 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCN(c4cccc[nH+]4)C3)nn21 ZINC000367209575 446521846 /nfs/dbraw/zinc/52/18/46/446521846.db2.gz RYNVUPWEOSVQNL-LBPRGKRZSA-N 1 2 339.359 2.113 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420437092 446612546 /nfs/dbraw/zinc/61/25/46/446612546.db2.gz BYPWRLRTSLKAEC-JTQLQIEISA-N 1 2 349.359 1.426 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC000375237429 446662322 /nfs/dbraw/zinc/66/23/22/446662322.db2.gz NWZAFQCHQZENIQ-AWEZNQCLSA-N 1 2 345.359 1.161 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC000375237429 446662325 /nfs/dbraw/zinc/66/23/25/446662325.db2.gz NWZAFQCHQZENIQ-AWEZNQCLSA-N 1 2 345.359 1.161 20 5 EDBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000423737426 446669766 /nfs/dbraw/zinc/66/97/66/446669766.db2.gz UBXBIXMAUSEJJZ-NSHDSACASA-N 1 2 331.332 1.674 20 5 EDBDLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000411773637 446672639 /nfs/dbraw/zinc/67/26/39/446672639.db2.gz UBBFKUNGMWGQQG-UWVGGRQHSA-N 1 2 331.380 1.840 20 5 EDBDLO Cc1c(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000454203491 446805022 /nfs/dbraw/zinc/80/50/22/446805022.db2.gz REJABTIBQUDGIA-BETUJISGSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1c(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000454203491 446805029 /nfs/dbraw/zinc/80/50/29/446805029.db2.gz REJABTIBQUDGIA-BETUJISGSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CCC2 ZINC000375504027 446856947 /nfs/dbraw/zinc/85/69/47/446856947.db2.gz AVQPRWCKLKNCAN-LLVKDONJSA-N 1 2 329.360 1.989 20 5 EDBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000375618459 446928459 /nfs/dbraw/zinc/92/84/59/446928459.db2.gz ONKVGSXNEYLDSE-GFCCVEGCSA-N 1 2 345.396 1.590 20 5 EDBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000375618459 446928464 /nfs/dbraw/zinc/92/84/64/446928464.db2.gz ONKVGSXNEYLDSE-GFCCVEGCSA-N 1 2 345.396 1.590 20 5 EDBDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000375776702 447039619 /nfs/dbraw/zinc/03/96/19/447039619.db2.gz HAGGMMFOXGPBLN-GFCCVEGCSA-N 1 2 347.331 1.293 20 5 EDBDLO NC(=O)c1noc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000375776702 447039624 /nfs/dbraw/zinc/03/96/24/447039624.db2.gz HAGGMMFOXGPBLN-GFCCVEGCSA-N 1 2 347.331 1.293 20 5 EDBDLO Nc1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000376088233 447261960 /nfs/dbraw/zinc/26/19/60/447261960.db2.gz ITVDUYQSHTUYOW-HNNXBMFYSA-N 1 2 338.433 1.797 20 5 EDBDLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010223 447262143 /nfs/dbraw/zinc/26/21/43/447262143.db2.gz PGDSRUKYSLGRFE-JTQLQIEISA-N 1 2 328.336 1.310 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H](F)C[C@H]1CO ZINC000451210596 447706239 /nfs/dbraw/zinc/70/62/39/447706239.db2.gz GYCXKCMDSUEDHX-NEPJUHHUSA-N 1 2 334.307 1.325 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000572479639 448388547 /nfs/dbraw/zinc/38/85/47/448388547.db2.gz CEYWGDVWPOIGMY-HNNXBMFYSA-N 1 2 337.401 1.402 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000572479639 448388551 /nfs/dbraw/zinc/38/85/51/448388551.db2.gz CEYWGDVWPOIGMY-HNNXBMFYSA-N 1 2 337.401 1.402 20 5 EDBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000573407324 448617660 /nfs/dbraw/zinc/61/76/60/448617660.db2.gz BPTOGTWZLKTRIC-UHFFFAOYSA-N 1 2 348.384 1.715 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000592195021 448732429 /nfs/dbraw/zinc/73/24/29/448732429.db2.gz GOBAJJJDWNTHDS-KOLCDFICSA-N 1 2 335.316 1.092 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000592195021 448732435 /nfs/dbraw/zinc/73/24/35/448732435.db2.gz GOBAJJJDWNTHDS-KOLCDFICSA-N 1 2 335.316 1.092 20 5 EDBDLO NC(=O)C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000588856048 448940457 /nfs/dbraw/zinc/94/04/57/448940457.db2.gz VZNYBDLDDJJJPW-CQSZACIVSA-N 1 2 348.403 1.129 20 5 EDBDLO Cc1nnc(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)o1 ZINC000595702569 449125391 /nfs/dbraw/zinc/12/53/91/449125391.db2.gz XRLYJZSSNBVPJX-UHFFFAOYSA-N 1 2 347.331 1.716 20 5 EDBDLO Nc1nccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000548714616 449087786 /nfs/dbraw/zinc/08/77/86/449087786.db2.gz SMHJGWMUBDOKCU-UHFFFAOYSA-N 1 2 347.400 1.422 20 5 EDBDLO Nc1nccc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000548714616 449087791 /nfs/dbraw/zinc/08/77/91/449087791.db2.gz SMHJGWMUBDOKCU-UHFFFAOYSA-N 1 2 347.400 1.422 20 5 EDBDLO Cc1nnc(C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)o1 ZINC000595702569 449125386 /nfs/dbraw/zinc/12/53/86/449125386.db2.gz XRLYJZSSNBVPJX-UHFFFAOYSA-N 1 2 347.331 1.716 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590588933 449203762 /nfs/dbraw/zinc/20/37/62/449203762.db2.gz OCDGAEWMGYJVRN-UHFFFAOYSA-N 1 2 345.396 1.757 20 5 EDBDLO CN1CCCC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000601968376 449250941 /nfs/dbraw/zinc/25/09/41/449250941.db2.gz FHRSKVMFIUBEOL-AWEZNQCLSA-N 1 2 331.376 1.914 20 5 EDBDLO CN1CCCC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000601968376 449250949 /nfs/dbraw/zinc/25/09/49/449250949.db2.gz FHRSKVMFIUBEOL-AWEZNQCLSA-N 1 2 331.376 1.914 20 5 EDBDLO CN1CCCC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000601968784 449252045 /nfs/dbraw/zinc/25/20/45/449252045.db2.gz HLQDWIVYPSNXFR-HNNXBMFYSA-N 1 2 349.387 1.904 20 5 EDBDLO CN1CCCC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000601968784 449252051 /nfs/dbraw/zinc/25/20/51/449252051.db2.gz HLQDWIVYPSNXFR-HNNXBMFYSA-N 1 2 349.387 1.904 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000604563195 449259137 /nfs/dbraw/zinc/25/91/37/449259137.db2.gz AUBPOAKDIZRYDI-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000604563195 449259144 /nfs/dbraw/zinc/25/91/44/449259144.db2.gz AUBPOAKDIZRYDI-LLVKDONJSA-N 1 2 332.360 1.527 20 5 EDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593456907 449293728 /nfs/dbraw/zinc/29/37/28/449293728.db2.gz JMRPJHAPURYECI-LBPRGKRZSA-N 1 2 338.383 1.029 20 5 EDBDLO C[C@H](O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598236735 449303910 /nfs/dbraw/zinc/30/39/10/449303910.db2.gz OXJHPOODMQRBFC-WCQYABFASA-N 1 2 330.344 1.766 20 5 EDBDLO COCCOCC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593518971 449321978 /nfs/dbraw/zinc/32/19/78/449321978.db2.gz WWOIDORDBKOIGV-UHFFFAOYSA-N 1 2 344.799 1.428 20 5 EDBDLO Cc1noc(C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000594054748 449340136 /nfs/dbraw/zinc/34/01/36/449340136.db2.gz WFIGJZUMILLSBH-UHFFFAOYSA-N 1 2 347.331 1.716 20 5 EDBDLO Cc1noc(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000594054748 449340141 /nfs/dbraw/zinc/34/01/41/449340141.db2.gz WFIGJZUMILLSBH-UHFFFAOYSA-N 1 2 347.331 1.716 20 5 EDBDLO NC(=O)c1cc(N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000596065253 449343611 /nfs/dbraw/zinc/34/36/11/449343611.db2.gz OOIAEHGFFNWJDH-UHFFFAOYSA-N 1 2 341.371 1.411 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000598398298 449380043 /nfs/dbraw/zinc/38/00/43/449380043.db2.gz YZJJVYIAEIBXJG-ZIAGYGMSSA-N 1 2 342.355 1.889 20 5 EDBDLO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000600408995 449360609 /nfs/dbraw/zinc/36/06/09/449360609.db2.gz GDGMVCFLCKOLGO-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO COc1ccc(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000590872783 449329298 /nfs/dbraw/zinc/32/92/98/449329298.db2.gz GXPAVSARUCDDDZ-OKILXGFUSA-N 1 2 349.387 1.125 20 5 EDBDLO COc1ccc(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000590872783 449329304 /nfs/dbraw/zinc/32/93/04/449329304.db2.gz GXPAVSARUCDDDZ-OKILXGFUSA-N 1 2 349.387 1.125 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590890323 449334995 /nfs/dbraw/zinc/33/49/95/449334995.db2.gz KQMBWBNUJVGQDA-UHFFFAOYSA-N 1 2 344.375 1.315 20 5 EDBDLO COc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602439118 449587599 /nfs/dbraw/zinc/58/75/99/449587599.db2.gz MVHCUMVXTVPHNM-UHFFFAOYSA-N 1 2 335.389 1.777 20 5 EDBDLO CN(CC(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccccc1[N+](=O)[O-] ZINC000598945883 449663732 /nfs/dbraw/zinc/66/37/32/449663732.db2.gz DCDNJIUVGPNTQJ-LBPRGKRZSA-N 1 2 329.360 1.359 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000594763495 449677092 /nfs/dbraw/zinc/67/70/92/449677092.db2.gz SQCDHBRZBMGPHP-JTQLQIEISA-N 1 2 337.361 1.629 20 5 EDBDLO O=[N+]([O-])c1c(NCCN2CCCS2(=O)=O)ccc2c[nH+]ccc21 ZINC000599035415 449706274 /nfs/dbraw/zinc/70/62/74/449706274.db2.gz LHPHNGIGHQCVGO-UHFFFAOYSA-N 1 2 336.373 1.590 20 5 EDBDLO COC(=O)C1(O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599063236 449713989 /nfs/dbraw/zinc/71/39/89/449713989.db2.gz ABZHLUYGAZAUQK-UHFFFAOYSA-N 1 2 331.328 1.647 20 5 EDBDLO CCOCCOC[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599078599 449720108 /nfs/dbraw/zinc/72/01/08/449720108.db2.gz IYBDPSIGYWXWER-CYBMUJFWSA-N 1 2 335.360 1.969 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CCc3cnccn3)CC2)n1 ZINC000601253431 449777168 /nfs/dbraw/zinc/77/71/68/449777168.db2.gz MZPLOOFAONVDOG-UHFFFAOYSA-N 1 2 342.403 1.761 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])s1 ZINC000599130418 449754187 /nfs/dbraw/zinc/75/41/87/449754187.db2.gz HYKQHFIIKONDNQ-CQSZACIVSA-N 1 2 327.406 1.684 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])s1 ZINC000599130418 449754195 /nfs/dbraw/zinc/75/41/95/449754195.db2.gz HYKQHFIIKONDNQ-CQSZACIVSA-N 1 2 327.406 1.684 20 5 EDBDLO Nc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)cc(CO)c1[N+](=O)[O-] ZINC000599133243 449755927 /nfs/dbraw/zinc/75/59/27/449755927.db2.gz GMMNMDJIQHTQAB-LLVKDONJSA-N 1 2 330.335 1.811 20 5 EDBDLO Nc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)cc(CO)c1[N+](=O)[O-] ZINC000599133243 449755934 /nfs/dbraw/zinc/75/59/34/449755934.db2.gz GMMNMDJIQHTQAB-LLVKDONJSA-N 1 2 330.335 1.811 20 5 EDBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612617016 449801899 /nfs/dbraw/zinc/80/18/99/449801899.db2.gz ZHTGGEUPTIXJBG-GFCCVEGCSA-N 1 2 338.339 1.672 20 5 EDBDLO COCc1n[nH]c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595065267 449853571 /nfs/dbraw/zinc/85/35/71/449853571.db2.gz BZGOVOBJZOGEJA-WDEREUQCSA-N 1 2 335.368 1.329 20 5 EDBDLO COCc1nnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000595065267 449853575 /nfs/dbraw/zinc/85/35/75/449853575.db2.gz BZGOVOBJZOGEJA-WDEREUQCSA-N 1 2 335.368 1.329 20 5 EDBDLO COc1ccc[nH+]c1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609305001 450002389 /nfs/dbraw/zinc/00/23/89/450002389.db2.gz UIKYAAVUDCJVEC-UHFFFAOYSA-N 1 2 342.355 1.961 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609477098 450033916 /nfs/dbraw/zinc/03/39/16/450033916.db2.gz ODCMQHHQYCXBLV-LLVKDONJSA-N 1 2 332.364 1.944 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609477098 450033921 /nfs/dbraw/zinc/03/39/21/450033921.db2.gz ODCMQHHQYCXBLV-LLVKDONJSA-N 1 2 332.364 1.944 20 5 EDBDLO Cc1nnc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000609849104 450105388 /nfs/dbraw/zinc/10/53/88/450105388.db2.gz ANTSZCASEDLPCO-GFCCVEGCSA-N 1 2 330.392 1.900 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609881314 450110465 /nfs/dbraw/zinc/11/04/65/450110465.db2.gz JOSGHTAOHOOSLN-ZDUSSCGKSA-N 1 2 344.375 1.680 20 5 EDBDLO Cc1noc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595399272 450112977 /nfs/dbraw/zinc/11/29/77/450112977.db2.gz YRKSXUKVEHDVRE-UHFFFAOYSA-N 1 2 326.397 1.681 20 5 EDBDLO Cc1noc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000595399272 450112979 /nfs/dbraw/zinc/11/29/79/450112979.db2.gz YRKSXUKVEHDVRE-UHFFFAOYSA-N 1 2 326.397 1.681 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000609893412 450113278 /nfs/dbraw/zinc/11/32/78/450113278.db2.gz FJXZGQWQAOWGAC-GFCCVEGCSA-N 1 2 326.784 1.944 20 5 EDBDLO O=C(NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000618275015 450113946 /nfs/dbraw/zinc/11/39/46/450113946.db2.gz NZWVGKLOXLBENS-UHFFFAOYSA-N 1 2 343.387 1.962 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000599792187 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CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187817586 528036501 /nfs/dbraw/zinc/03/65/01/528036501.db2.gz GABLIMZOYPEUDY-GFCCVEGCSA-N 1 2 325.365 1.387 20 5 EDBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248776991 536552795 /nfs/dbraw/zinc/55/27/95/536552795.db2.gz BGOGYOIFJCHQFI-LNSITVRQSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248776991 536552801 /nfs/dbraw/zinc/55/28/01/536552801.db2.gz BGOGYOIFJCHQFI-LNSITVRQSA-N 1 2 347.371 1.467 20 5 EDBDLO O=C1CC2(CCC2)N1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000743347132 579476669 /nfs/dbraw/zinc/47/66/69/579476669.db2.gz IEZIIEAMYPNQQE-UHFFFAOYSA-N 1 2 330.388 1.829 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC[NH+]2CCOCC2)c1 ZINC000747689629 578359243 /nfs/dbraw/zinc/35/92/43/578359243.db2.gz UZWQDWAJCBDUCZ-UHFFFAOYSA-N 1 2 338.360 1.548 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728758400 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EDBDLO Nc1cc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc[nH+]1 ZINC000791614592 580796601 /nfs/dbraw/zinc/79/66/01/580796601.db2.gz ZQOXCRXAVKJXHX-UHFFFAOYSA-N 1 2 331.284 1.700 20 5 EDBDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795644798 580932543 /nfs/dbraw/zinc/93/25/43/580932543.db2.gz PKIKCCRMNFLFDV-QGZVFWFLSA-N 1 2 348.403 1.993 20 5 EDBDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795644798 580932544 /nfs/dbraw/zinc/93/25/44/580932544.db2.gz PKIKCCRMNFLFDV-QGZVFWFLSA-N 1 2 348.403 1.993 20 5 EDBDLO CC(C)Oc1cc(C(=O)OCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000840648834 590739143 /nfs/dbraw/zinc/73/91/43/590739143.db2.gz LKZSNOBQDLTEFF-UHFFFAOYSA-N 1 2 338.360 1.871 20 5 EDBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000891536614 591113569 /nfs/dbraw/zinc/11/35/69/591113569.db2.gz UETHGUGRJUEMIN-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000896908778 591672997 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ZINC000493851952 447410882 /nfs/dbraw/zinc/41/08/82/447410882.db2.gz JZFMQXIMHPJIDO-NEPJUHHUSA-N 1 2 348.359 1.272 20 5 EDBDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044742103 440883769 /nfs/dbraw/zinc/88/37/69/440883769.db2.gz XFARAMKCKBXKBP-AWEZNQCLSA-N 1 2 334.420 1.627 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044742103 440883775 /nfs/dbraw/zinc/88/37/75/440883775.db2.gz XFARAMKCKBXKBP-AWEZNQCLSA-N 1 2 334.420 1.627 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080944382 441209956 /nfs/dbraw/zinc/20/99/56/441209956.db2.gz QYGMSDNJEMYNPB-OAHLLOKOSA-N 1 2 349.387 1.297 20 5 EDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000081015096 441219884 /nfs/dbraw/zinc/21/98/84/441219884.db2.gz GFRBRKFOZMWOSZ-HNNXBMFYSA-N 1 2 346.387 1.272 20 5 EDBDLO CNC(=O)C[NH+]1CCC(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000025579337 441350475 /nfs/dbraw/zinc/35/04/75/441350475.db2.gz 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CCCC[N@@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000077687462 441829826 /nfs/dbraw/zinc/82/98/26/441829826.db2.gz ISXNISQGGPWGGY-UHFFFAOYSA-N 1 2 333.348 1.732 20 5 EDBDLO O=C1NCCCN1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093668772 441893272 /nfs/dbraw/zinc/89/32/72/441893272.db2.gz XQSXGBQREJQAHC-UHFFFAOYSA-N 1 2 334.376 1.680 20 5 EDBDLO COc1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000150802089 441953029 /nfs/dbraw/zinc/95/30/29/441953029.db2.gz VUHBMWGQUUGXGX-UHFFFAOYSA-N 1 2 341.389 1.072 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141704 442181713 /nfs/dbraw/zinc/18/17/13/442181713.db2.gz NNPSQXQLEUSDRE-GXTWGEPZSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141704 442181717 /nfs/dbraw/zinc/18/17/17/442181717.db2.gz NNPSQXQLEUSDRE-GXTWGEPZSA-N 1 2 336.392 1.594 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176214202 442192487 /nfs/dbraw/zinc/19/24/87/442192487.db2.gz WUJJHUVIPDGKBY-LBPRGKRZSA-N 1 2 335.360 1.095 20 5 EDBDLO Cc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000127927167 442233960 /nfs/dbraw/zinc/23/39/60/442233960.db2.gz QIRNOONHRRERKY-CQSZACIVSA-N 1 2 346.431 1.688 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000171232557 442331586 /nfs/dbraw/zinc/33/15/86/442331586.db2.gz JWVKMQRYRYOLEJ-UHFFFAOYSA-N 1 2 334.420 1.894 20 5 EDBDLO COc1ccc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000177217298 442314598 /nfs/dbraw/zinc/31/45/98/442314598.db2.gz DAMVMLASTUCVPH-CJNGLKHVSA-N 1 2 335.404 1.756 20 5 EDBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c2ccccc21 ZINC000153997696 442315359 /nfs/dbraw/zinc/31/53/59/442315359.db2.gz VOVAHWLHOWQEPU-CYBMUJFWSA-N 1 2 332.356 1.820 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000154927811 442364638 /nfs/dbraw/zinc/36/46/38/442364638.db2.gz PRRKQWOQSICAEZ-INIZCTEOSA-N 1 2 333.388 1.507 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000154927811 442364639 /nfs/dbraw/zinc/36/46/39/442364639.db2.gz PRRKQWOQSICAEZ-INIZCTEOSA-N 1 2 333.388 1.507 20 5 EDBDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000177634068 442365060 /nfs/dbraw/zinc/36/50/60/442365060.db2.gz SJSWEZIUAOXIHH-MRXNPFEDSA-N 1 2 332.404 1.726 20 5 EDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131244446 442367853 /nfs/dbraw/zinc/36/78/53/442367853.db2.gz APABCLKYBVEPGD-UHFFFAOYSA-N 1 2 344.780 1.802 20 5 EDBDLO COC(=O)C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000154851699 442360741 /nfs/dbraw/zinc/36/07/41/442360741.db2.gz SOLOBMCUKXMNGV-ZDUSSCGKSA-N 1 2 340.380 1.008 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000134288930 442464892 /nfs/dbraw/zinc/46/48/92/442464892.db2.gz JYYJIDBDGAWWBQ-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO CSc1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000186876449 442624346 /nfs/dbraw/zinc/62/43/46/442624346.db2.gz WHAOUYWSXRTKKL-LLVKDONJSA-N 1 2 336.417 1.046 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C(N)=O)C1 ZINC000187437946 442676638 /nfs/dbraw/zinc/67/66/38/442676638.db2.gz SFEZYNNTZURZCH-NHYWBVRUSA-N 1 2 346.387 1.070 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C(N)=O)C1 ZINC000187437946 442676640 /nfs/dbraw/zinc/67/66/40/442676640.db2.gz SFEZYNNTZURZCH-NHYWBVRUSA-N 1 2 346.387 1.070 20 5 EDBDLO COc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000188732450 442798922 /nfs/dbraw/zinc/79/89/22/442798922.db2.gz DYJUXLHRBUZSKI-LLVKDONJSA-N 1 2 337.376 1.362 20 5 EDBDLO COc1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268248601 442917277 /nfs/dbraw/zinc/91/72/77/442917277.db2.gz JLNXYXAWHOYTBY-SNVBAGLBSA-N 1 2 340.361 1.167 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194719944 442942941 /nfs/dbraw/zinc/94/29/41/442942941.db2.gz FHEASPHPHNSJIE-PHIMTYICSA-N 1 2 327.406 1.838 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194719944 442942946 /nfs/dbraw/zinc/94/29/46/442942946.db2.gz FHEASPHPHNSJIE-PHIMTYICSA-N 1 2 327.406 1.838 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000198354337 443038794 /nfs/dbraw/zinc/03/87/94/443038794.db2.gz CXRFLABRRKBSGA-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268706307 443083907 /nfs/dbraw/zinc/08/39/07/443083907.db2.gz WIVNBUBQXXZNEY-TZMCWYRMSA-N 1 2 336.348 1.209 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268706307 443083912 /nfs/dbraw/zinc/08/39/12/443083912.db2.gz WIVNBUBQXXZNEY-TZMCWYRMSA-N 1 2 336.348 1.209 20 5 EDBDLO CC(C)[N@H+](C)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350976083 319084480 /nfs/dbraw/zinc/08/44/80/319084480.db2.gz FAMLUKUOMWKPLL-UHFFFAOYSA-N 1 2 347.375 1.677 20 5 EDBDLO CC(C)[N@@H+](C)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350976083 319084483 /nfs/dbraw/zinc/08/44/83/319084483.db2.gz FAMLUKUOMWKPLL-UHFFFAOYSA-N 1 2 347.375 1.677 20 5 EDBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000264474541 443304147 /nfs/dbraw/zinc/30/41/47/443304147.db2.gz UDUYFGOQSAMIDF-CYBMUJFWSA-N 1 2 331.332 1.020 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266938962 443296680 /nfs/dbraw/zinc/29/66/80/443296680.db2.gz PBMCOYYICQUEQE-UHFFFAOYSA-N 1 2 347.824 1.762 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000269640006 443374577 /nfs/dbraw/zinc/37/45/77/443374577.db2.gz BVOSUDDKMCKCNH-SFHVURJKSA-N 1 2 342.399 1.841 20 5 EDBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000269640006 443374582 /nfs/dbraw/zinc/37/45/82/443374582.db2.gz BVOSUDDKMCKCNH-SFHVURJKSA-N 1 2 342.399 1.841 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)S1 ZINC000267206219 443378175 /nfs/dbraw/zinc/37/81/75/443378175.db2.gz KPSJMIKVQIDUSO-JTQLQIEISA-N 1 2 349.416 1.307 20 5 EDBDLO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282596451 443384808 /nfs/dbraw/zinc/38/48/08/443384808.db2.gz XNFMNOZIQFDROK-CYBMUJFWSA-N 1 2 348.359 1.003 20 5 EDBDLO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282596451 443384810 /nfs/dbraw/zinc/38/48/10/443384810.db2.gz XNFMNOZIQFDROK-CYBMUJFWSA-N 1 2 348.359 1.003 20 5 EDBDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267457143 443463775 /nfs/dbraw/zinc/46/37/75/443463775.db2.gz SBXQEHNADLKVPH-UHFFFAOYSA-N 1 2 326.324 1.624 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267638916 443522886 /nfs/dbraw/zinc/52/28/86/443522886.db2.gz VHASMXXYDAEZIS-UHFFFAOYSA-N 1 2 347.375 1.118 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267655830 443529554 /nfs/dbraw/zinc/52/95/54/443529554.db2.gz CMPXCTRRDINONZ-DZGCQCFKSA-N 1 2 349.435 1.509 20 5 EDBDLO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000267655830 443529557 /nfs/dbraw/zinc/52/95/57/443529557.db2.gz CMPXCTRRDINONZ-DZGCQCFKSA-N 1 2 349.435 1.509 20 5 EDBDLO CCOc1cccc(NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000273186058 443556783 /nfs/dbraw/zinc/55/67/83/443556783.db2.gz OYRSCNZPBKDEGO-UHFFFAOYSA-N 1 2 336.392 1.570 20 5 EDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000279342855 443560422 /nfs/dbraw/zinc/56/04/22/443560422.db2.gz QGPPTPLURCVXEA-UHFFFAOYSA-N 1 2 327.406 1.839 20 5 EDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000279342855 443560426 /nfs/dbraw/zinc/56/04/26/443560426.db2.gz QGPPTPLURCVXEA-UHFFFAOYSA-N 1 2 327.406 1.839 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000276180623 443663222 /nfs/dbraw/zinc/66/32/22/443663222.db2.gz BTBFOFGDVSACBN-AWEZNQCLSA-N 1 2 349.387 1.483 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000276180623 443663225 /nfs/dbraw/zinc/66/32/25/443663225.db2.gz BTBFOFGDVSACBN-AWEZNQCLSA-N 1 2 349.387 1.483 20 5 EDBDLO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCO1 ZINC000436949721 320027873 /nfs/dbraw/zinc/02/78/73/320027873.db2.gz ARKUWRGBJFYINB-GFCCVEGCSA-N 1 2 337.376 1.531 20 5 EDBDLO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCO1 ZINC000436949721 320027875 /nfs/dbraw/zinc/02/78/75/320027875.db2.gz ARKUWRGBJFYINB-GFCCVEGCSA-N 1 2 337.376 1.531 20 5 EDBDLO CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000450037102 320209877 /nfs/dbraw/zinc/20/98/77/320209877.db2.gz CRZYVLWVXDRDTQ-LBPRGKRZSA-N 1 2 343.343 1.131 20 5 EDBDLO O=C(N[C@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451449645 320234503 /nfs/dbraw/zinc/23/45/03/320234503.db2.gz XLWXXRPNZIBRHC-MRXNPFEDSA-N 1 2 346.343 1.052 20 5 EDBDLO O=C(NCC1=CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452409050 320249643 /nfs/dbraw/zinc/24/96/43/320249643.db2.gz 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IIJAYZNHAONVOT-SNVBAGLBSA-N 1 2 341.314 1.420 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857977829 595674309 /nfs/dbraw/zinc/67/43/09/595674309.db2.gz HUAWYINEHRYSHX-SNVBAGLBSA-N 1 2 331.288 1.883 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](n3cccn3)C2)nc1-c1ccccn1 ZINC000853515431 595779132 /nfs/dbraw/zinc/77/91/32/595779132.db2.gz OHRXMYRPIJALNP-ZDUSSCGKSA-N 1 2 339.359 1.954 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](n3cccn3)C2)nc1-c1ccccn1 ZINC000853515431 595779137 /nfs/dbraw/zinc/77/91/37/595779137.db2.gz OHRXMYRPIJALNP-ZDUSSCGKSA-N 1 2 339.359 1.954 20 5 EDBDLO CCn1ncc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000858443448 595796865 /nfs/dbraw/zinc/79/68/65/595796865.db2.gz CXWUETPWPASASW-HNNXBMFYSA-N 1 2 341.375 1.819 20 5 EDBDLO Cc1nc(C[NH+]2CCC(C(=O)OCCC[N+](=O)[O-])CC2)cs1 ZINC000860919411 595835994 /nfs/dbraw/zinc/83/59/94/595835994.db2.gz KHACMAMFMNBNPP-UHFFFAOYSA-N 1 2 327.406 1.874 20 5 EDBDLO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@H](C)C1 ZINC000853685670 595855485 /nfs/dbraw/zinc/85/54/85/595855485.db2.gz ZTSCBHLGRVKLNH-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@H](C)C1 ZINC000853685670 595855486 /nfs/dbraw/zinc/85/54/86/595855486.db2.gz ZTSCBHLGRVKLNH-GFCCVEGCSA-N 1 2 341.433 1.919 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000858687280 595865441 /nfs/dbraw/zinc/86/54/41/595865441.db2.gz JTOGMAASVVIDFR-INIZCTEOSA-N 1 2 336.392 1.205 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000858687280 595865445 /nfs/dbraw/zinc/86/54/45/595865445.db2.gz JTOGMAASVVIDFR-INIZCTEOSA-N 1 2 336.392 1.205 20 5 EDBDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000852570908 596200890 /nfs/dbraw/zinc/20/08/90/596200890.db2.gz XADPBSBEAILDCZ-UHFFFAOYSA-N 1 2 338.364 1.188 20 5 EDBDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000852570908 596200892 /nfs/dbraw/zinc/20/08/92/596200892.db2.gz XADPBSBEAILDCZ-UHFFFAOYSA-N 1 2 338.364 1.188 20 5 EDBDLO CC[C@@H]1CC(=O)N(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000119204198 596478134 /nfs/dbraw/zinc/47/81/34/596478134.db2.gz BNEUDKLYVSTVGI-CQSZACIVSA-N 1 2 332.404 1.933 20 5 EDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871760040 596688060 /nfs/dbraw/zinc/68/80/60/596688060.db2.gz DILPKLARRNJUKU-LLVKDONJSA-N 1 2 340.355 1.966 20 5 EDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871760040 596688062 /nfs/dbraw/zinc/68/80/62/596688062.db2.gz DILPKLARRNJUKU-LLVKDONJSA-N 1 2 340.355 1.966 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874712397 597157965 /nfs/dbraw/zinc/15/79/65/597157965.db2.gz YMMRTIVDZKUVJE-AWEZNQCLSA-N 1 2 339.367 1.503 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874712397 597157966 /nfs/dbraw/zinc/15/79/66/597157966.db2.gz YMMRTIVDZKUVJE-AWEZNQCLSA-N 1 2 339.367 1.503 20 5 EDBDLO CCNC(=O)CN1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876569477 597244171 /nfs/dbraw/zinc/24/41/71/597244171.db2.gz YRQBQCUCKPRDDB-UHFFFAOYSA-N 1 2 334.420 1.465 20 5 EDBDLO COc1ccccc1[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000879633565 597667103 /nfs/dbraw/zinc/66/71/03/597667103.db2.gz OZIZHVFQVYFOCP-HNNXBMFYSA-N 1 2 332.360 1.873 20 5 EDBDLO COc1ccccc1[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000879633565 597667106 /nfs/dbraw/zinc/66/71/06/597667106.db2.gz OZIZHVFQVYFOCP-HNNXBMFYSA-N 1 2 332.360 1.873 20 5 EDBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000882765939 598048693 /nfs/dbraw/zinc/04/86/93/598048693.db2.gz OXVJUKHLSZLTES-LBPRGKRZSA-N 1 2 327.406 1.584 20 5 EDBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000882765939 598048696 /nfs/dbraw/zinc/04/86/96/598048696.db2.gz OXVJUKHLSZLTES-LBPRGKRZSA-N 1 2 327.406 1.584 20 5 EDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000882766155 598049866 /nfs/dbraw/zinc/04/98/66/598049866.db2.gz XAIAQKXCEKUHRC-SNVBAGLBSA-N 1 2 331.369 1.415 20 5 EDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000882766155 598049868 /nfs/dbraw/zinc/04/98/68/598049868.db2.gz XAIAQKXCEKUHRC-SNVBAGLBSA-N 1 2 331.369 1.415 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(-c2nn[nH]n2)c1 ZINC000738368658 598502664 /nfs/dbraw/zinc/50/26/64/598502664.db2.gz HPWCNXZFNDIJES-JTQLQIEISA-N 1 2 341.335 1.208 20 5 EDBDLO O=C(Cn1ccnc1[N+](=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC000918360198 697157589 /nfs/dbraw/zinc/15/75/89/697157589.db2.gz PYVVMRMWHIAZEQ-UHFFFAOYSA-N 1 2 335.389 1.197 20 5 EDBDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)on1 ZINC001031625805 697360083 /nfs/dbraw/zinc/36/00/83/697360083.db2.gz ZMRQOEHTGCHYMK-UHFFFAOYSA-N 1 2 346.343 1.453 20 5 EDBDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001002788080 709394279 /nfs/dbraw/zinc/39/42/79/709394279.db2.gz MZJSCUNPMFXPQA-TZMCWYRMSA-N 1 2 338.433 1.506 20 5 EDBDLO Cc1coc(C(=O)NC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC001003467923 710364663 /nfs/dbraw/zinc/36/46/63/710364663.db2.gz GPJDPCVLHLKTBO-UHFFFAOYSA-N 1 2 347.375 1.624 20 5 EDBDLO NC(=O)c1ccnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000558595528 306240606 /nfs/dbraw/zinc/24/06/06/306240606.db2.gz GEHSLGNOKNZZDZ-OLZOCXBDSA-N 1 2 349.391 1.144 20 5 EDBDLO CC[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000559636775 306257160 /nfs/dbraw/zinc/25/71/60/306257160.db2.gz ORDOAUUPBACCGE-ZDUSSCGKSA-N 1 2 341.433 1.395 20 5 EDBDLO CC[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000559636775 306257161 /nfs/dbraw/zinc/25/71/61/306257161.db2.gz ORDOAUUPBACCGE-ZDUSSCGKSA-N 1 2 341.433 1.395 20 5 EDBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178656702 232345181 /nfs/dbraw/zinc/34/51/81/232345181.db2.gz XGVWCYDOFMMEGE-ZDUSSCGKSA-N 1 2 346.412 1.539 20 5 EDBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C 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332.360 1.527 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)nn21 ZINC000301953570 303704708 /nfs/dbraw/zinc/70/47/08/303704708.db2.gz JVVHTSGZZYRPFB-GFCCVEGCSA-N 1 2 326.316 1.690 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000302199717 303717687 /nfs/dbraw/zinc/71/76/87/303717687.db2.gz UQYUVBYCKOMXCV-CYBMUJFWSA-N 1 2 335.360 1.292 20 5 EDBDLO O=C(N[C@@H](CO)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344832000 303808948 /nfs/dbraw/zinc/80/89/48/303808948.db2.gz DMQSSAFKGUIVGO-WFASDCNBSA-N 1 2 346.343 1.050 20 5 EDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000351594006 303813566 /nfs/dbraw/zinc/81/35/66/303813566.db2.gz AKOLNESAGWHZQQ-JTQLQIEISA-N 1 2 347.306 1.000 20 5 EDBDLO O=C(N[C@H](CO)CC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430535370 305055702 /nfs/dbraw/zinc/05/57/02/305055702.db2.gz VAJHUJICKIGZSW-JTQLQIEISA-N 1 2 340.286 1.526 20 5 EDBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](O)COc1ccccc1 ZINC000444816828 305253708 /nfs/dbraw/zinc/25/37/08/305253708.db2.gz ZCGLKMYOBSCQAC-CQSZACIVSA-N 1 2 348.403 1.979 20 5 EDBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](O)COc1ccccc1 ZINC000444816828 305253709 /nfs/dbraw/zinc/25/37/09/305253709.db2.gz ZCGLKMYOBSCQAC-CQSZACIVSA-N 1 2 348.403 1.979 20 5 EDBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)ccc2n1[C@H](C)CO ZINC000456709550 305471107 /nfs/dbraw/zinc/47/11/07/305471107.db2.gz YVNDAAATCSLHBE-MRVPVSSYSA-N 1 2 344.331 1.782 20 5 EDBDLO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000515388916 305720786 /nfs/dbraw/zinc/72/07/86/305720786.db2.gz JOQBLRXHCWFSGO-LLVKDONJSA-N 1 2 325.365 1.123 20 5 EDBDLO COC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000046015453 441069168 /nfs/dbraw/zinc/06/91/68/441069168.db2.gz RTOADLVHZFDCAY-UHFFFAOYSA-N 1 2 344.371 1.828 20 5 EDBDLO COC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000046015453 441069173 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C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483868 441379060 /nfs/dbraw/zinc/37/90/60/441379060.db2.gz RQHPYTNZYUKSIA-CYBMUJFWSA-N 1 2 333.392 1.123 20 5 EDBDLO Cc1c(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000106582472 441359758 /nfs/dbraw/zinc/35/97/58/441359758.db2.gz PPJWNKGLJQKTNQ-GFCCVEGCSA-N 1 2 335.408 1.661 20 5 EDBDLO CCCCN(CC(N)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049743768 441364162 /nfs/dbraw/zinc/36/41/62/441364162.db2.gz YDFLBHMZIGZMPX-UHFFFAOYSA-N 1 2 345.359 1.508 20 5 EDBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000106799188 441372484 /nfs/dbraw/zinc/37/24/84/441372484.db2.gz SIWVCGQLJXEODZ-QGZVFWFLSA-N 1 2 346.431 1.376 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051502067 441413242 /nfs/dbraw/zinc/41/32/42/441413242.db2.gz LWGHNYNUEREQRN-UHFFFAOYSA-N 1 2 348.447 1.889 20 5 EDBDLO CCN(CC)C(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051502067 441413245 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/nfs/dbraw/zinc/28/98/33/442289833.db2.gz KVJLDJNOSZLIRM-UHFFFAOYSA-N 1 2 341.799 1.291 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153574536 442289836 /nfs/dbraw/zinc/28/98/36/442289836.db2.gz KVJLDJNOSZLIRM-UHFFFAOYSA-N 1 2 341.799 1.291 20 5 EDBDLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000129601354 442324328 /nfs/dbraw/zinc/32/43/28/442324328.db2.gz SXOZWEXBRMMWDW-UHFFFAOYSA-N 1 2 332.360 1.148 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cc(F)ccc3F)CC2)c1 ZINC000177631065 442365149 /nfs/dbraw/zinc/36/51/49/442365149.db2.gz XQEHELKBLIHHFC-UHFFFAOYSA-N 1 2 337.330 1.892 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000172018172 442399586 /nfs/dbraw/zinc/39/95/86/442399586.db2.gz DELKAJQBLWBOBB-UHFFFAOYSA-N 1 2 339.417 1.620 20 5 EDBDLO O=C(C1CCCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157823914 442617052 /nfs/dbraw/zinc/61/70/52/442617052.db2.gz FOQCGEKBMKSSEK-UHFFFAOYSA-N 1 2 335.408 1.516 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000192959366 442701260 /nfs/dbraw/zinc/70/12/60/442701260.db2.gz JFPZORHABPSILC-OAHLLOKOSA-N 1 2 335.404 1.990 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)S1 ZINC000180815514 442662137 /nfs/dbraw/zinc/66/21/37/442662137.db2.gz MIPUPFREDYOIJB-JTQLQIEISA-N 1 2 349.416 1.426 20 5 EDBDLO Cc1ccc(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)c[nH+]1 ZINC000181600535 442706345 /nfs/dbraw/zinc/70/63/45/442706345.db2.gz KPOIVZUDCBOYBR-UHFFFAOYSA-N 1 2 336.373 1.600 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000183238836 442909499 /nfs/dbraw/zinc/90/94/99/442909499.db2.gz NNKAYIFLHJDUFQ-UHFFFAOYSA-N 1 2 334.420 1.545 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCn1cc[nH+]c1 ZINC000193951360 318587255 /nfs/dbraw/zinc/58/72/55/318587255.db2.gz UGEPQLCQESDGFJ-UHFFFAOYSA-N 1 2 333.348 1.689 20 5 EDBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421332 442982543 /nfs/dbraw/zinc/98/25/43/442982543.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 1 2 344.375 1.500 20 5 EDBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421332 442982548 /nfs/dbraw/zinc/98/25/48/442982548.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 1 2 344.375 1.500 20 5 EDBDLO COc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000190539010 443131476 /nfs/dbraw/zinc/13/14/76/443131476.db2.gz WWLJTTIQYUFTIX-NSHDSACASA-N 1 2 337.376 1.050 20 5 EDBDLO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000190539010 443131480 /nfs/dbraw/zinc/13/14/80/443131480.db2.gz WWLJTTIQYUFTIX-NSHDSACASA-N 1 2 337.376 1.050 20 5 EDBDLO Cc1cc(N2CC[C@H](O)[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413597237 319282559 /nfs/dbraw/zinc/28/25/59/319282559.db2.gz WSMQCXYPUGWQNQ-ZFWWWQNUSA-N 1 2 344.371 1.540 20 5 EDBDLO COc1ccc(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000191276134 443270360 /nfs/dbraw/zinc/27/03/60/443270360.db2.gz SYSMQNDXFDRURW-QWRGUYRKSA-N 1 2 337.376 1.776 20 5 EDBDLO COC(=O)/C=C/c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000269529685 443338418 /nfs/dbraw/zinc/33/84/18/443338418.db2.gz YGGXFAGPKIRHJH-KQIUPUNMSA-N 1 2 346.387 1.193 20 5 EDBDLO Cn1ccnc1[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000282605167 443387155 /nfs/dbraw/zinc/38/71/55/443387155.db2.gz YMCJSEBACOQWGH-HNNXBMFYSA-N 1 2 333.367 1.956 20 5 EDBDLO Cn1ccnc1[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000282605167 443387160 /nfs/dbraw/zinc/38/71/60/443387160.db2.gz YMCJSEBACOQWGH-HNNXBMFYSA-N 1 2 333.367 1.956 20 5 EDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267305756 443412083 /nfs/dbraw/zinc/41/20/83/443412083.db2.gz CEHSTGABUCVBIJ-UHFFFAOYSA-N 1 2 343.343 1.663 20 5 EDBDLO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H]1[NH+](C)C ZINC000436960929 320028672 /nfs/dbraw/zinc/02/86/72/320028672.db2.gz SGIHJPUPBPVQOZ-WCQYABFASA-N 1 2 325.390 1.418 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@](O)(C2CC2)C1 ZINC000447799921 320144864 /nfs/dbraw/zinc/14/48/64/320144864.db2.gz NLQBTNMETGTWGG-SFHVURJKSA-N 1 2 347.415 1.778 20 5 EDBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[NH+]1CCOCC1 ZINC000450212829 320213473 /nfs/dbraw/zinc/21/34/73/320213473.db2.gz TXRALFJOQUDJTO-UHFFFAOYSA-N 1 2 332.360 1.318 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456980982 320315872 /nfs/dbraw/zinc/31/58/72/320315872.db2.gz DRHWLSOUVOAFDR-CYBMUJFWSA-N 1 2 329.360 1.667 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456980982 320315873 /nfs/dbraw/zinc/31/58/73/320315873.db2.gz DRHWLSOUVOAFDR-CYBMUJFWSA-N 1 2 329.360 1.667 20 5 EDBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC000457171584 320321822 /nfs/dbraw/zinc/32/18/22/320321822.db2.gz CRJMFTREQRLAAS-MRXNPFEDSA-N 1 2 343.343 1.179 20 5 EDBDLO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489407773 320359943 /nfs/dbraw/zinc/35/99/43/320359943.db2.gz UUQDUNMZSBAONI-JSGCOSHPSA-N 1 2 337.376 1.659 20 5 EDBDLO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489407773 320359944 /nfs/dbraw/zinc/35/99/44/320359944.db2.gz UUQDUNMZSBAONI-JSGCOSHPSA-N 1 2 337.376 1.659 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000301187598 444153145 /nfs/dbraw/zinc/15/31/45/444153145.db2.gz QCPZXPJBIJJMDW-CYBMUJFWSA-N 1 2 332.404 1.692 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000305638691 444271312 /nfs/dbraw/zinc/27/13/12/444271312.db2.gz BJMHMDDGZSQNIL-CYBMUJFWSA-N 1 2 341.371 1.692 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000305638691 444271314 /nfs/dbraw/zinc/27/13/14/444271314.db2.gz BJMHMDDGZSQNIL-CYBMUJFWSA-N 1 2 341.371 1.692 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343751457 444564606 /nfs/dbraw/zinc/56/46/06/444564606.db2.gz PHKGDPSNVGMKKD-UHFFFAOYSA-N 1 2 326.316 1.825 20 5 EDBDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344061217 444757690 /nfs/dbraw/zinc/75/76/90/444757690.db2.gz MMVYVWIBCNLNDD-CHIMOYNISA-N 1 2 339.779 1.889 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344061217 444757695 /nfs/dbraw/zinc/75/76/95/444757695.db2.gz MMVYVWIBCNLNDD-CHIMOYNISA-N 1 2 339.779 1.889 20 5 EDBDLO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342717470 444831751 /nfs/dbraw/zinc/83/17/51/444831751.db2.gz DBNQUADQIWTPAD-VXGBXAGGSA-N 1 2 326.349 1.218 20 5 EDBDLO CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342717470 444831756 /nfs/dbraw/zinc/83/17/56/444831756.db2.gz DBNQUADQIWTPAD-VXGBXAGGSA-N 1 2 326.349 1.218 20 5 EDBDLO Cc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000342774877 444860855 /nfs/dbraw/zinc/86/08/55/444860855.db2.gz GRMIOYLURVRCNM-UHFFFAOYSA-N 1 2 336.373 1.689 20 5 EDBDLO O=C(NCC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344283659 444879969 /nfs/dbraw/zinc/87/99/69/444879969.db2.gz JBRWXDQABCOCFP-GFCCVEGCSA-N 1 2 330.344 1.937 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342920639 444942045 /nfs/dbraw/zinc/94/20/45/444942045.db2.gz LCNVHQLIGWTTSW-CABCVRRESA-N 1 2 333.388 1.414 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342920639 444942049 /nfs/dbraw/zinc/94/20/49/444942049.db2.gz LCNVHQLIGWTTSW-CABCVRRESA-N 1 2 333.388 1.414 20 5 EDBDLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099314 445032080 /nfs/dbraw/zinc/03/20/80/445032080.db2.gz KWTBBGVZEUORFT-VIFPVBQESA-N 1 2 347.293 1.801 20 5 EDBDLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099314 445032085 /nfs/dbraw/zinc/03/20/85/445032085.db2.gz KWTBBGVZEUORFT-VIFPVBQESA-N 1 2 347.293 1.801 20 5 EDBDLO CCn1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000343129480 445083688 /nfs/dbraw/zinc/08/36/88/445083688.db2.gz DPIDKOAZVQQRBV-UHFFFAOYSA-N 1 2 340.343 1.927 20 5 EDBDLO COc1c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343358702 445208965 /nfs/dbraw/zinc/20/89/65/445208965.db2.gz IUDSXOJKBGFGBI-GFCCVEGCSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000343358702 445208966 /nfs/dbraw/zinc/20/89/66/445208966.db2.gz IUDSXOJKBGFGBI-GFCCVEGCSA-N 1 2 335.360 1.196 20 5 EDBDLO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000343472741 445229303 /nfs/dbraw/zinc/22/93/03/445229303.db2.gz WAOHHSFSMJNQDY-NSHDSACASA-N 1 2 345.446 1.822 20 5 EDBDLO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000343472741 445229304 /nfs/dbraw/zinc/22/93/04/445229304.db2.gz WAOHHSFSMJNQDY-NSHDSACASA-N 1 2 345.446 1.822 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000348303458 445248628 /nfs/dbraw/zinc/24/86/28/445248628.db2.gz MUCQSJZXTRDKDP-LBPRGKRZSA-N 1 2 327.406 1.536 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000348303458 445248632 /nfs/dbraw/zinc/24/86/32/445248632.db2.gz MUCQSJZXTRDKDP-LBPRGKRZSA-N 1 2 327.406 1.536 20 5 EDBDLO CC(C)c1nnc([C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000348413795 445283121 /nfs/dbraw/zinc/28/31/21/445283121.db2.gz SJLFNUPYTMLBMT-LLVKDONJSA-N 1 2 336.352 1.371 20 5 EDBDLO CC(C)c1nnc([C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)o1 ZINC000348413795 445283123 /nfs/dbraw/zinc/28/31/23/445283123.db2.gz SJLFNUPYTMLBMT-LLVKDONJSA-N 1 2 336.352 1.371 20 5 EDBDLO CCNc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000351719184 445290892 /nfs/dbraw/zinc/29/08/92/445290892.db2.gz ICIJATILNFTTFB-CABCVRRESA-N 1 2 334.376 1.182 20 5 EDBDLO CCNc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000351719184 445290897 /nfs/dbraw/zinc/29/08/97/445290897.db2.gz ICIJATILNFTTFB-CABCVRRESA-N 1 2 334.376 1.182 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000362891744 445599078 /nfs/dbraw/zinc/59/90/78/445599078.db2.gz AUMWDHLFTSVPKK-HNNXBMFYSA-N 1 2 341.433 1.864 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000362891744 445599082 /nfs/dbraw/zinc/59/90/82/445599082.db2.gz AUMWDHLFTSVPKK-HNNXBMFYSA-N 1 2 341.433 1.864 20 5 EDBDLO Cc1n[nH]c(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000353686895 445707282 /nfs/dbraw/zinc/70/72/82/445707282.db2.gz YLYHTUDNMRYZFF-HNNXBMFYSA-N 1 2 341.375 1.677 20 5 EDBDLO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353686895 445707284 /nfs/dbraw/zinc/70/72/84/445707284.db2.gz YLYHTUDNMRYZFF-HNNXBMFYSA-N 1 2 341.375 1.677 20 5 EDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000358955170 445863309 /nfs/dbraw/zinc/86/33/09/445863309.db2.gz URPIJXGSEJNCMX-GFCCVEGCSA-N 1 2 329.360 1.837 20 5 EDBDLO COc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000364055234 445893211 /nfs/dbraw/zinc/89/32/11/445893211.db2.gz JPGBBUPEFOQQHF-LBPRGKRZSA-N 1 2 325.340 1.259 20 5 EDBDLO COc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000364055234 445893215 /nfs/dbraw/zinc/89/32/15/445893215.db2.gz JPGBBUPEFOQQHF-LBPRGKRZSA-N 1 2 325.340 1.259 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000364057024 445893226 /nfs/dbraw/zinc/89/32/26/445893226.db2.gz QQEYBBUOXWLQRW-AWEZNQCLSA-N 1 2 333.392 1.089 20 5 EDBDLO Cc1ccc(N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372881914 445902844 /nfs/dbraw/zinc/90/28/44/445902844.db2.gz PDOXACZGGVBPBQ-HNNXBMFYSA-N 1 2 334.420 1.356 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000366071126 445994333 /nfs/dbraw/zinc/99/43/33/445994333.db2.gz BTPXOJWCAVVICQ-SNVBAGLBSA-N 1 2 345.758 1.377 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000366071126 445994335 /nfs/dbraw/zinc/99/43/35/445994335.db2.gz BTPXOJWCAVVICQ-SNVBAGLBSA-N 1 2 345.758 1.377 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000350899286 445944868 /nfs/dbraw/zinc/94/48/68/445944868.db2.gz UHSBBOWRZFKVNC-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000350899286 445944870 /nfs/dbraw/zinc/94/48/70/445944870.db2.gz UHSBBOWRZFKVNC-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]21 ZINC000356930847 446134482 /nfs/dbraw/zinc/13/44/82/446134482.db2.gz FLXDADPQHUHDRN-HUUCEWRRSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]21 ZINC000356930847 446134488 /nfs/dbraw/zinc/13/44/88/446134488.db2.gz FLXDADPQHUHDRN-HUUCEWRRSA-N 1 2 330.344 1.231 20 5 EDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCc2[nH+]ccn2C1 ZINC000361956004 446105581 /nfs/dbraw/zinc/10/55/81/446105581.db2.gz AUCUAYCHBDXSBE-GFCCVEGCSA-N 1 2 329.360 1.582 20 5 EDBDLO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000373247680 446122556 /nfs/dbraw/zinc/12/25/56/446122556.db2.gz RZWLBYXHCNATSE-MRXNPFEDSA-N 1 2 349.343 1.109 20 5 EDBDLO O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000373247680 446122561 /nfs/dbraw/zinc/12/25/61/446122561.db2.gz RZWLBYXHCNATSE-MRXNPFEDSA-N 1 2 349.343 1.109 20 5 EDBDLO CN(C)c1ncnc2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000365391346 446184481 /nfs/dbraw/zinc/18/44/81/446184481.db2.gz LVBPFOAYRPWCPM-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO CN(C)c1ncnc2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000365391346 446184486 /nfs/dbraw/zinc/18/44/86/446184486.db2.gz LVBPFOAYRPWCPM-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351616637 446210999 /nfs/dbraw/zinc/21/09/99/446210999.db2.gz UHZZHJZFODJACV-CQSZACIVSA-N 1 2 341.795 1.628 20 5 EDBDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351616637 446211000 /nfs/dbraw/zinc/21/10/00/446211000.db2.gz UHZZHJZFODJACV-CQSZACIVSA-N 1 2 341.795 1.628 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366446613 446219485 /nfs/dbraw/zinc/21/94/85/446219485.db2.gz XQOSWGZVFMIAEJ-XEZLXBQYSA-N 1 2 335.360 1.101 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366446613 446219489 /nfs/dbraw/zinc/21/94/89/446219489.db2.gz XQOSWGZVFMIAEJ-XEZLXBQYSA-N 1 2 335.360 1.101 20 5 EDBDLO CCc1nn(C)c(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000366508004 446242115 /nfs/dbraw/zinc/24/21/15/446242115.db2.gz QOFAJBSPDPHKHT-LBPRGKRZSA-N 1 2 333.396 1.497 20 5 EDBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000365694955 446304894 /nfs/dbraw/zinc/30/48/94/446304894.db2.gz GHDSWTCIYNJJLG-AWEZNQCLSA-N 1 2 344.375 1.598 20 5 EDBDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000365694955 446304899 /nfs/dbraw/zinc/30/48/99/446304899.db2.gz GHDSWTCIYNJJLG-AWEZNQCLSA-N 1 2 344.375 1.598 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359618898 446323035 /nfs/dbraw/zinc/32/30/35/446323035.db2.gz LQAKVUMQBGXGDV-LLVKDONJSA-N 1 2 337.376 1.362 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359618898 446323040 /nfs/dbraw/zinc/32/30/40/446323040.db2.gz LQAKVUMQBGXGDV-LLVKDONJSA-N 1 2 337.376 1.362 20 5 EDBDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000370611143 446357189 /nfs/dbraw/zinc/35/71/89/446357189.db2.gz VJNNIHKHMKIKQA-LSDHHAIUSA-N 1 2 347.375 1.358 20 5 EDBDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000370611143 446357194 /nfs/dbraw/zinc/35/71/94/446357194.db2.gz VJNNIHKHMKIKQA-LSDHHAIUSA-N 1 2 347.375 1.358 20 5 EDBDLO COc1cc(CN2CCc3c([nH+]cn3C)C2)c([N+](=O)[O-])cc1OC ZINC000376203066 446377887 /nfs/dbraw/zinc/37/78/87/446377887.db2.gz JDNSGCROISLURC-UHFFFAOYSA-N 1 2 332.360 1.904 20 5 EDBDLO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000421026984 446997846 /nfs/dbraw/zinc/99/78/46/446997846.db2.gz VAMGGZFNBSMJAI-UWVGGRQHSA-N 1 2 337.332 1.107 20 5 EDBDLO C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000421026984 446997854 /nfs/dbraw/zinc/99/78/54/446997854.db2.gz VAMGGZFNBSMJAI-UWVGGRQHSA-N 1 2 337.332 1.107 20 5 EDBDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455097415 447050710 /nfs/dbraw/zinc/05/07/10/447050710.db2.gz SXRLKURZCCUMLL-NILFDRSVSA-N 1 2 334.376 1.380 20 5 EDBDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455097415 447050716 /nfs/dbraw/zinc/05/07/16/447050716.db2.gz SXRLKURZCCUMLL-NILFDRSVSA-N 1 2 334.376 1.380 20 5 EDBDLO CC(=O)NC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413141490 447029703 /nfs/dbraw/zinc/02/97/03/447029703.db2.gz HKIOVQHQAZFVLU-AWEZNQCLSA-N 1 2 330.344 1.484 20 5 EDBDLO Cc1c(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000377390725 447106812 /nfs/dbraw/zinc/10/68/12/447106812.db2.gz IFFOIQXNSYMUIU-ZDUSSCGKSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1c(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000377390725 447106817 /nfs/dbraw/zinc/10/68/17/447106817.db2.gz IFFOIQXNSYMUIU-ZDUSSCGKSA-N 1 2 334.376 1.888 20 5 EDBDLO CC[C@H](CNS(C)(=O)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413321229 447140122 /nfs/dbraw/zinc/14/01/22/447140122.db2.gz VYCINGURQMYBKZ-LLVKDONJSA-N 1 2 338.389 1.883 20 5 EDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368833717 447144544 /nfs/dbraw/zinc/14/45/44/447144544.db2.gz KMHRDGYARLZECN-NSHDSACASA-N 1 2 342.359 1.366 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000425463874 447174672 /nfs/dbraw/zinc/17/46/72/447174672.db2.gz YVIVCYMAPVTLLZ-VXGBXAGGSA-N 1 2 345.193 1.675 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000368966605 447231296 /nfs/dbraw/zinc/23/12/96/447231296.db2.gz PPPCUPYZLIXGLM-CCUNJIBTSA-N 1 2 337.351 1.828 20 5 EDBDLO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000368966605 447231298 /nfs/dbraw/zinc/23/12/98/447231298.db2.gz PPPCUPYZLIXGLM-CCUNJIBTSA-N 1 2 337.351 1.828 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413955283 447268017 /nfs/dbraw/zinc/26/80/17/447268017.db2.gz JWMJUEWTNCSOEZ-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)cc1[N+](=O)[O-] ZINC000416379075 447586054 /nfs/dbraw/zinc/58/60/54/447586054.db2.gz ZMJNWFADGWODJR-GFCCVEGCSA-N 1 2 338.389 1.775 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457898508 447665967 /nfs/dbraw/zinc/66/59/67/447665967.db2.gz IHJVOFUHIULLIE-UHFFFAOYSA-N 1 2 333.348 1.379 20 5 EDBDLO COc1ccc(CNC(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000457928864 447674975 /nfs/dbraw/zinc/67/49/75/447674975.db2.gz MWVDZMUHRSDOMC-UHFFFAOYSA-N 1 2 333.348 1.379 20 5 EDBDLO CC[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000428307186 447688375 /nfs/dbraw/zinc/68/83/75/447688375.db2.gz SHOJBTPFILIERL-ABAIWWIYSA-N 1 2 326.349 1.266 20 5 EDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cn1cc[nH+]c1 ZINC000524822722 447956083 /nfs/dbraw/zinc/95/60/83/447956083.db2.gz MAWROJACNSVYPN-LLVKDONJSA-N 1 2 346.343 1.629 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)nc1 ZINC000591151234 448273957 /nfs/dbraw/zinc/27/39/57/448273957.db2.gz YSDGDWQGGWLMPV-SNVBAGLBSA-N 1 2 343.347 1.275 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3[nH+]cnc4c3OCCN4)C2)nc1 ZINC000591151234 448273965 /nfs/dbraw/zinc/27/39/65/448273965.db2.gz YSDGDWQGGWLMPV-SNVBAGLBSA-N 1 2 343.347 1.275 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515436191 448313316 /nfs/dbraw/zinc/31/33/16/448313316.db2.gz MJMQLBCGYAWECM-GFCCVEGCSA-N 1 2 344.306 1.710 20 5 EDBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517172762 448546251 /nfs/dbraw/zinc/54/62/51/448546251.db2.gz OKVJDDCWOPCNOW-NEPJUHHUSA-N 1 2 344.375 1.605 20 5 EDBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517172762 448546255 /nfs/dbraw/zinc/54/62/55/448546255.db2.gz OKVJDDCWOPCNOW-NEPJUHHUSA-N 1 2 344.375 1.605 20 5 EDBDLO CNc1nccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000573860885 448731498 /nfs/dbraw/zinc/73/14/98/448731498.db2.gz PLQVCGHSAKRHPF-WCQYABFASA-N 1 2 344.375 1.951 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000592206562 448744741 /nfs/dbraw/zinc/74/47/41/448744741.db2.gz MOCVNFDZHQOKSK-WCBMZHEXSA-N 1 2 330.287 1.229 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000592206562 448744745 /nfs/dbraw/zinc/74/47/45/448744745.db2.gz MOCVNFDZHQOKSK-WCBMZHEXSA-N 1 2 330.287 1.229 20 5 EDBDLO 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ZINC000595830728 449193021 /nfs/dbraw/zinc/19/30/21/449193021.db2.gz LHGLVFNBJPXANW-QWHCGFSZSA-N 1 2 340.401 1.337 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595830728 449193028 /nfs/dbraw/zinc/19/30/28/449193028.db2.gz LHGLVFNBJPXANW-QWHCGFSZSA-N 1 2 340.401 1.337 20 5 EDBDLO Cc1nnc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000595884424 449231569 /nfs/dbraw/zinc/23/15/69/449231569.db2.gz FOFCVDDJDQKCKY-GFCCVEGCSA-N 1 2 338.389 1.626 20 5 EDBDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000595884424 449231572 /nfs/dbraw/zinc/23/15/72/449231572.db2.gz FOFCVDDJDQKCKY-GFCCVEGCSA-N 1 2 338.389 1.626 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000593543303 449335878 /nfs/dbraw/zinc/33/58/78/449335878.db2.gz PFMPAVIGFSMLNX-LBPRGKRZSA-N 1 2 337.361 1.212 20 5 EDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460988 449406846 /nfs/dbraw/zinc/40/68/46/449406846.db2.gz 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Cn1cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602454890 449602121 /nfs/dbraw/zinc/60/21/21/449602121.db2.gz SIUKQTUMXRBQCB-CQSZACIVSA-N 1 2 329.360 1.392 20 5 EDBDLO Cn1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602454890 449602126 /nfs/dbraw/zinc/60/21/26/449602126.db2.gz SIUKQTUMXRBQCB-CQSZACIVSA-N 1 2 329.360 1.392 20 5 EDBDLO COC(=O)CCNC(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599169839 449776965 /nfs/dbraw/zinc/77/69/65/449776965.db2.gz KBKIZHROFIZHCI-UHFFFAOYSA-N 1 2 346.343 1.624 20 5 EDBDLO Nc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(F)cc1[N+](=O)[O-] ZINC000609130891 449963537 /nfs/dbraw/zinc/96/35/37/449963537.db2.gz AZCPSTOIHHLAKO-LLVKDONJSA-N 1 2 333.323 1.990 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440924 449977752 /nfs/dbraw/zinc/97/77/52/449977752.db2.gz UXDPCZNBJPPSBV-UHFFFAOYSA-N 1 2 331.376 1.515 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440924 449977758 /nfs/dbraw/zinc/97/77/58/449977758.db2.gz UXDPCZNBJPPSBV-UHFFFAOYSA-N 1 2 331.376 1.515 20 5 EDBDLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609279178 449997735 /nfs/dbraw/zinc/99/77/35/449997735.db2.gz NCMODHHSGHLEED-JTQLQIEISA-N 1 2 349.434 1.045 20 5 EDBDLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609279178 449997739 /nfs/dbraw/zinc/99/77/39/449997739.db2.gz NCMODHHSGHLEED-JTQLQIEISA-N 1 2 349.434 1.045 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000609578071 450056460 /nfs/dbraw/zinc/05/64/60/450056460.db2.gz DXZGADQSEVQGEK-UHFFFAOYSA-N 1 2 347.419 1.654 20 5 EDBDLO CSc1ccc(C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000601741441 450206706 /nfs/dbraw/zinc/20/67/06/450206706.db2.gz VSUDRNGSKFQFOX-GFCCVEGCSA-N 1 2 339.417 1.719 20 5 EDBDLO CSc1ccc(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000601741441 450206711 /nfs/dbraw/zinc/20/67/11/450206711.db2.gz VSUDRNGSKFQFOX-GFCCVEGCSA-N 1 2 339.417 1.719 20 5 EDBDLO CCc1n[nH]c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000610453369 450225539 /nfs/dbraw/zinc/22/55/39/450225539.db2.gz BESQBXXPRKKGRG-UHFFFAOYSA-N 1 2 342.359 1.809 20 5 EDBDLO COC(=O)COc1ccc(CNc2ccc(OC)c[nH+]2)cc1[N+](=O)[O-] ZINC000616036785 450307248 /nfs/dbraw/zinc/30/72/48/450307248.db2.gz CRPFAFQIIHZXAZ-UHFFFAOYSA-N 1 2 347.327 2.162 20 5 EDBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610913116 450379138 /nfs/dbraw/zinc/37/91/38/450379138.db2.gz UEIDUHZMBHEWKC-CQSZACIVSA-N 1 2 345.355 1.888 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023608814 491166634 /nfs/dbraw/zinc/16/66/34/491166634.db2.gz KJTIFUQXBOSBLZ-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023608814 491166636 /nfs/dbraw/zinc/16/66/36/491166636.db2.gz KJTIFUQXBOSBLZ-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000129410489 529150350 /nfs/dbraw/zinc/15/03/50/529150350.db2.gz DOXIJEITOBMWOH-UHFFFAOYSA-N 1 2 347.824 1.883 20 5 EDBDLO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000729185597 578560696 /nfs/dbraw/zinc/56/06/96/578560696.db2.gz UJWHNBCOTUVFLJ-AGLBCWCQSA-N 1 2 349.387 1.914 20 5 EDBDLO COC(=O)/C=C\c1ccc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000729185597 578560697 /nfs/dbraw/zinc/56/06/97/578560697.db2.gz UJWHNBCOTUVFLJ-AGLBCWCQSA-N 1 2 349.387 1.914 20 5 EDBDLO CCCNC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729252740 578562314 /nfs/dbraw/zinc/56/23/14/578562314.db2.gz UDNFIERJHBCPLU-NSHDSACASA-N 1 2 346.343 1.852 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000738128932 579162631 /nfs/dbraw/zinc/16/26/31/579162631.db2.gz LQRAPKYFTXHKQD-UHFFFAOYSA-N 1 2 343.343 1.789 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000759355829 580004186 /nfs/dbraw/zinc/00/41/86/580004186.db2.gz SKIVEXOBVQEPRB-ZDUSSCGKSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000759355829 580004187 /nfs/dbraw/zinc/00/41/87/580004187.db2.gz SKIVEXOBVQEPRB-ZDUSSCGKSA-N 1 2 336.392 1.157 20 5 EDBDLO CC(C)CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000778265062 580460272 /nfs/dbraw/zinc/46/02/72/580460272.db2.gz YHQXDRCSAJSFJE-CZUORRHYSA-N 1 2 335.404 1.817 20 5 EDBDLO CC(C)CN1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000778265062 580460273 /nfs/dbraw/zinc/46/02/73/580460273.db2.gz YHQXDRCSAJSFJE-CZUORRHYSA-N 1 2 335.404 1.817 20 5 EDBDLO CN(CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000767561289 580192937 /nfs/dbraw/zinc/19/29/37/580192937.db2.gz WOQBIUSHBVXCJM-OKILXGFUSA-N 1 2 349.387 1.437 20 5 EDBDLO CN(CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000767561289 580192938 /nfs/dbraw/zinc/19/29/38/580192938.db2.gz WOQBIUSHBVXCJM-OKILXGFUSA-N 1 2 349.387 1.437 20 5 EDBDLO C[N@H+](CCOC(C)(C)C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000767775905 580199168 /nfs/dbraw/zinc/19/91/68/580199168.db2.gz JMYHAYQDKCNYMK-UHFFFAOYSA-N 1 2 335.360 1.895 20 5 EDBDLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000767775905 580199169 /nfs/dbraw/zinc/19/91/69/580199169.db2.gz JMYHAYQDKCNYMK-UHFFFAOYSA-N 1 2 335.360 1.895 20 5 EDBDLO CCOC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768192893 580208542 /nfs/dbraw/zinc/20/85/42/580208542.db2.gz ZTTRMFITRCZLBX-SNVBAGLBSA-N 1 2 333.300 1.889 20 5 EDBDLO C[N@H+](CCc1cnccn1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000770661291 580266870 /nfs/dbraw/zinc/26/68/70/580266870.db2.gz HHRXNPQYFQXJBX-UHFFFAOYSA-N 1 2 341.169 1.476 20 5 EDBDLO C[N@@H+](CCc1cnccn1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000770661291 580266871 /nfs/dbraw/zinc/26/68/71/580266871.db2.gz HHRXNPQYFQXJBX-UHFFFAOYSA-N 1 2 341.169 1.476 20 5 EDBDLO C[C@H](NC(=S)NCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000774579767 580366376 /nfs/dbraw/zinc/36/63/76/580366376.db2.gz HPFOTZCVSWUVIF-LBPRGKRZSA-N 1 2 338.433 1.452 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000774914803 580377469 /nfs/dbraw/zinc/37/74/69/580377469.db2.gz RMOYMUIKIGYGHP-GFCCVEGCSA-N 1 2 327.362 1.803 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000774914803 580377470 /nfs/dbraw/zinc/37/74/70/580377470.db2.gz RMOYMUIKIGYGHP-GFCCVEGCSA-N 1 2 327.362 1.803 20 5 EDBDLO Cn1cc(CN2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000776581969 580422072 /nfs/dbraw/zinc/42/20/72/580422072.db2.gz KDPMZCSWWJOBCA-QGZVFWFLSA-N 1 2 345.403 1.180 20 5 EDBDLO Cn1cc(C[NH+]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000776581969 580422073 /nfs/dbraw/zinc/42/20/73/580422073.db2.gz KDPMZCSWWJOBCA-QGZVFWFLSA-N 1 2 345.403 1.180 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000776581871 580422095 /nfs/dbraw/zinc/42/20/95/580422095.db2.gz OGIZQJIYZONRJQ-INIZCTEOSA-N 1 2 348.428 1.903 20 5 EDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584621 580422341 /nfs/dbraw/zinc/42/23/41/580422341.db2.gz NKPFOZNOGOMMON-RISCZKNCSA-N 1 2 330.406 1.383 20 5 EDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584621 580422342 /nfs/dbraw/zinc/42/23/42/580422342.db2.gz NKPFOZNOGOMMON-RISCZKNCSA-N 1 2 330.406 1.383 20 5 EDBDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776592640 580423116 /nfs/dbraw/zinc/42/31/16/580423116.db2.gz WTNQTAZWQRDEQI-AWEZNQCLSA-N 1 2 349.416 1.610 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000778953025 580476525 /nfs/dbraw/zinc/47/65/25/580476525.db2.gz WXGLIOHCUHERKQ-QKFKETGDSA-N 1 2 339.461 1.960 20 5 EDBDLO COc1cc(OCC(=O)OCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC000791795187 580802191 /nfs/dbraw/zinc/80/21/91/580802191.db2.gz PLCBEHGXJIQRFI-UHFFFAOYSA-N 1 2 333.300 1.703 20 5 EDBDLO O=C(OCC[C@H]1CNC(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000792002791 580807401 /nfs/dbraw/zinc/80/74/01/580807401.db2.gz CLLREOVLAQMZJU-LLVKDONJSA-N 1 2 344.327 1.464 20 5 EDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000800866427 581060434 /nfs/dbraw/zinc/06/04/34/581060434.db2.gz HWOASUBZQGAPAS-IYBDPMFKSA-N 1 2 343.383 1.978 20 5 EDBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000800866427 581060435 /nfs/dbraw/zinc/06/04/35/581060435.db2.gz HWOASUBZQGAPAS-IYBDPMFKSA-N 1 2 343.383 1.978 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891838653 590648544 /nfs/dbraw/zinc/64/85/44/590648544.db2.gz VMDSYYCNQFIBHG-GFCCVEGCSA-N 1 2 346.387 1.579 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000892872459 591209579 /nfs/dbraw/zinc/20/95/79/591209579.db2.gz UNMIUZYKRZMYOT-CQSZACIVSA-N 1 2 333.388 1.758 20 5 EDBDLO O=[N+]([O-])c1c(N2CCN(c3cc[nH+]nc3)CC2)nc2sccn21 ZINC000895961914 591311287 /nfs/dbraw/zinc/31/12/87/591311287.db2.gz AUGXHBHEKSGKKP-UHFFFAOYSA-N 1 2 331.361 1.421 20 5 EDBDLO C[C@H](C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000896541015 591504712 /nfs/dbraw/zinc/50/47/12/591504712.db2.gz BZJQMUFHUCFWGA-HEHGZKQESA-N 1 2 334.420 1.449 20 5 EDBDLO C[C@H](C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000896541015 591504714 /nfs/dbraw/zinc/50/47/14/591504714.db2.gz BZJQMUFHUCFWGA-HEHGZKQESA-N 1 2 334.420 1.449 20 5 EDBDLO C/C(=C/C(=O)NCCNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000899986415 591855642 /nfs/dbraw/zinc/85/56/42/591855642.db2.gz CJNOMTJMVJHAPC-OWBHPGMISA-N 1 2 348.403 1.401 20 5 EDBDLO O=C(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC1 ZINC000838101367 593124687 /nfs/dbraw/zinc/12/46/87/593124687.db2.gz KEKCERXPDPXRQY-UHFFFAOYSA-N 1 2 330.300 1.170 20 5 EDBDLO COC(=O)c1cn(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000840127160 593217220 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347.415 1.783 20 5 EDBDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839756639 593380312 /nfs/dbraw/zinc/38/03/12/593380312.db2.gz AWFKBKVUHNEZPD-NUEKZKHPSA-N 1 2 347.415 1.783 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804342066 593407027 /nfs/dbraw/zinc/40/70/27/593407027.db2.gz UJYNYOFPNZLZNS-UHFFFAOYSA-N 1 2 326.784 1.506 20 5 EDBDLO CS(=O)(=O)CCOCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000840265674 593508414 /nfs/dbraw/zinc/50/84/14/593508414.db2.gz GJRPONXSDHBSQQ-UHFFFAOYSA-N 1 2 339.373 1.616 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939214 593891161 /nfs/dbraw/zinc/89/11/61/593891161.db2.gz SFWJIZOTEFGBLQ-AAEUAGOBSA-N 1 2 349.391 1.504 20 5 EDBDLO C[C@@H](C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000823022081 594138910 /nfs/dbraw/zinc/13/89/10/594138910.db2.gz ZHHLNMNHYVPOMQ-CYBMUJFWSA-N 1 2 343.387 1.766 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000823087368 594151077 /nfs/dbraw/zinc/15/10/77/594151077.db2.gz ATHKYJTXLMHZQN-LLVKDONJSA-N 1 2 326.316 1.613 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000830474393 594402838 /nfs/dbraw/zinc/40/28/38/594402838.db2.gz NENGHSWXOOOFHV-CYBMUJFWSA-N 1 2 336.367 1.287 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000830474393 594402840 /nfs/dbraw/zinc/40/28/40/594402840.db2.gz NENGHSWXOOOFHV-CYBMUJFWSA-N 1 2 336.367 1.287 20 5 EDBDLO Cc1ccc(-c2nn[nH]n2)c(NCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000826276410 594407694 /nfs/dbraw/zinc/40/76/94/594407694.db2.gz FNGDRNIHPJKAIT-UHFFFAOYSA-N 1 2 341.331 1.969 20 5 EDBDLO C[N@@H+]1CCn2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000829472138 594621389 /nfs/dbraw/zinc/62/13/89/594621389.db2.gz LZMFMYMNHKOHNC-QPJJXVBHSA-N 1 2 327.344 1.889 20 5 EDBDLO C[N@H+]1CCn2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000829472138 594621391 /nfs/dbraw/zinc/62/13/91/594621391.db2.gz LZMFMYMNHKOHNC-QPJJXVBHSA-N 1 2 327.344 1.889 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000831740707 594698220 /nfs/dbraw/zinc/69/82/20/594698220.db2.gz XFEYLSNMYGGIJN-GFCCVEGCSA-N 1 2 336.373 1.831 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000832410032 594748423 /nfs/dbraw/zinc/74/84/23/594748423.db2.gz FIMKRJPZAGVWIK-MRVPVSSYSA-N 1 2 330.391 1.912 20 5 EDBDLO C[C@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000836954857 595017397 /nfs/dbraw/zinc/01/73/97/595017397.db2.gz NVKGICYITATYDX-GWCFXTLKSA-N 1 2 340.343 1.963 20 5 EDBDLO CC(C)O[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000842611303 595141420 /nfs/dbraw/zinc/14/14/20/595141420.db2.gz WHWDBGNZQSHCTN-WBVHZDCISA-N 1 2 349.387 1.989 20 5 EDBDLO CC(C)O[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000842611303 595141423 /nfs/dbraw/zinc/14/14/23/595141423.db2.gz WHWDBGNZQSHCTN-WBVHZDCISA-N 1 2 349.387 1.989 20 5 EDBDLO CCN(OC)C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000842768106 595192880 /nfs/dbraw/zinc/19/28/80/595192880.db2.gz HVTQTHVWORAPFP-UHFFFAOYSA-N 1 2 333.291 1.696 20 5 EDBDLO COCOCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000848166721 595331287 /nfs/dbraw/zinc/33/12/87/595331287.db2.gz ZMBTYWOWQPTSON-UHFFFAOYSA-N 1 2 334.332 1.521 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000844405542 595338422 /nfs/dbraw/zinc/33/84/22/595338422.db2.gz RECVSEKAWNTJMS-GHMZBOCLSA-N 1 2 345.193 1.939 20 5 EDBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000844405542 595338424 /nfs/dbraw/zinc/33/84/24/595338424.db2.gz RECVSEKAWNTJMS-GHMZBOCLSA-N 1 2 345.193 1.939 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n1C ZINC000844707673 595379852 /nfs/dbraw/zinc/37/98/52/595379852.db2.gz GILXPDDOYTXZQB-AWEZNQCLSA-N 1 2 331.376 1.636 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)n1C ZINC000844707673 595379855 /nfs/dbraw/zinc/37/98/55/595379855.db2.gz GILXPDDOYTXZQB-AWEZNQCLSA-N 1 2 331.376 1.636 20 5 EDBDLO CC(=O)N[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490047 595394383 /nfs/dbraw/zinc/39/43/83/595394383.db2.gz WTMGZMRPOFNTIJ-ZBFHGGJFSA-N 1 2 346.387 1.079 20 5 EDBDLO CC(=O)N[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490047 595394385 /nfs/dbraw/zinc/39/43/85/595394385.db2.gz WTMGZMRPOFNTIJ-ZBFHGGJFSA-N 1 2 346.387 1.079 20 5 EDBDLO O=C(N1CC(n2cc[nH+]c2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586759 595410249 /nfs/dbraw/zinc/41/02/49/595410249.db2.gz OBMOEQLBBICNEE-UHFFFAOYSA-N 1 2 338.270 1.846 20 5 EDBDLO COC[C@H]1CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000112961380 595585432 /nfs/dbraw/zinc/58/54/32/595585432.db2.gz UVJFXHZNUFRVEL-VIFPVBQESA-N 1 2 333.186 1.870 20 5 EDBDLO COC[C@H]1CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000112961380 595585435 /nfs/dbraw/zinc/58/54/35/595585435.db2.gz UVJFXHZNUFRVEL-VIFPVBQESA-N 1 2 333.186 1.870 20 5 EDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886734 595642697 /nfs/dbraw/zinc/64/26/97/595642697.db2.gz JHCGEJMRRHQJPT-LLVKDONJSA-N 1 2 345.315 1.373 20 5 EDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCn2c[nH+]cc21 ZINC000857984957 595677390 /nfs/dbraw/zinc/67/73/90/595677390.db2.gz GCCLKZOLDQMNEN-LBPRGKRZSA-N 1 2 326.316 1.402 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860584338 595733296 /nfs/dbraw/zinc/73/32/96/595733296.db2.gz GESOGKBNQKFVOZ-JTQLQIEISA-N 1 2 328.756 1.700 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860584338 595733299 /nfs/dbraw/zinc/73/32/99/595733299.db2.gz GESOGKBNQKFVOZ-JTQLQIEISA-N 1 2 328.756 1.700 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850360767 595819163 /nfs/dbraw/zinc/81/91/63/595819163.db2.gz JIBWVIYBXHUCMJ-NWDGAFQWSA-N 1 2 334.781 1.150 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000858687281 595865579 /nfs/dbraw/zinc/86/55/79/595865579.db2.gz JTOGMAASVVIDFR-MRXNPFEDSA-N 1 2 336.392 1.205 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000858687281 595865582 /nfs/dbraw/zinc/86/55/82/595865582.db2.gz JTOGMAASVVIDFR-MRXNPFEDSA-N 1 2 336.392 1.205 20 5 EDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000862970198 596469162 /nfs/dbraw/zinc/46/91/62/596469162.db2.gz WEAFIRYGENIPGK-JTQLQIEISA-N 1 2 345.758 1.377 20 5 EDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000862970198 596469164 /nfs/dbraw/zinc/46/91/64/596469164.db2.gz WEAFIRYGENIPGK-JTQLQIEISA-N 1 2 345.758 1.377 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865505919 596593457 /nfs/dbraw/zinc/59/34/57/596593457.db2.gz LTPGUZVQHLFIET-UHFFFAOYSA-N 1 2 327.356 1.749 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865505919 596593460 /nfs/dbraw/zinc/59/34/60/596593460.db2.gz LTPGUZVQHLFIET-UHFFFAOYSA-N 1 2 327.356 1.749 20 5 EDBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119549786 596631735 /nfs/dbraw/zinc/63/17/35/596631735.db2.gz ZEZROUMBUOVQFD-UHFFFAOYSA-N 1 2 342.402 1.596 20 5 EDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cs1 ZINC000119616157 596672968 /nfs/dbraw/zinc/67/29/68/596672968.db2.gz JNNDELNCCLJKIC-UHFFFAOYSA-N 1 2 331.419 1.373 20 5 EDBDLO COc1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877776868 597555335 /nfs/dbraw/zinc/55/53/35/597555335.db2.gz DWGALSSQHWCTIS-UHFFFAOYSA-N 1 2 347.293 1.714 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN([S@@](C)(=N)=O)CC1 ZINC000877790379 597557209 /nfs/dbraw/zinc/55/72/09/597557209.db2.gz UCVVKTWPFZQCNW-JOCHJYFZSA-N 1 2 326.422 1.921 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879928250 597768664 /nfs/dbraw/zinc/76/86/64/597768664.db2.gz ALYICTMPTPHPGN-STQMWFEESA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879928250 597768666 /nfs/dbraw/zinc/76/86/66/597768666.db2.gz ALYICTMPTPHPGN-STQMWFEESA-N 1 2 340.401 1.340 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000880048497 597822324 /nfs/dbraw/zinc/82/23/24/597822324.db2.gz PXPOXSUVLAFHRG-GFCCVEGCSA-N 1 2 347.293 1.847 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000880048497 597822325 /nfs/dbraw/zinc/82/23/25/597822325.db2.gz PXPOXSUVLAFHRG-GFCCVEGCSA-N 1 2 347.293 1.847 20 5 EDBDLO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000914082520 695080169 /nfs/dbraw/zinc/08/01/69/695080169.db2.gz GHEOMDQSNLLVLL-QWHCGFSZSA-N 1 2 336.392 1.676 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cscn1 ZINC001031574302 697266879 /nfs/dbraw/zinc/26/68/79/697266879.db2.gz MPPNPGYKCCCOHE-UHFFFAOYSA-N 1 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Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000028814117 441438450 /nfs/dbraw/zinc/43/84/50/441438450.db2.gz OUBGJTXVVDIABC-UHFFFAOYSA-N 1 2 341.327 1.371 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030011762 441483781 /nfs/dbraw/zinc/48/37/81/441483781.db2.gz BQLLLTNRXABIOF-UHFFFAOYSA-N 1 2 329.360 1.859 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265739 441533629 /nfs/dbraw/zinc/53/36/29/441533629.db2.gz VJSLXRDLCRSBJD-LBPRGKRZSA-N 1 2 349.387 1.871 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265739 441533634 /nfs/dbraw/zinc/53/36/34/441533634.db2.gz VJSLXRDLCRSBJD-LBPRGKRZSA-N 1 2 349.387 1.871 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113001502 441577563 /nfs/dbraw/zinc/57/75/63/441577563.db2.gz PTQSDFLDFPUGFK-LBPRGKRZSA-N 1 2 330.406 1.729 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000113001502 441577568 /nfs/dbraw/zinc/57/75/68/441577568.db2.gz PTQSDFLDFPUGFK-LBPRGKRZSA-N 1 2 330.406 1.729 20 5 EDBDLO CCN(CC(=O)N(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054776517 441596789 /nfs/dbraw/zinc/59/67/89/441596789.db2.gz QKZYOUHGDOEFNX-UHFFFAOYSA-N 1 2 345.359 1.331 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000041106374 441632474 /nfs/dbraw/zinc/63/24/74/441632474.db2.gz PGQNTVYULIKKJL-UHFFFAOYSA-N 1 2 348.403 1.642 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000041488334 441657081 /nfs/dbraw/zinc/65/70/81/441657081.db2.gz AZGLHNAHGMQCIU-GFCCVEGCSA-N 1 2 332.364 1.591 20 5 EDBDLO COc1cc(OCC(=O)NCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000121494449 441718303 /nfs/dbraw/zinc/71/83/03/441718303.db2.gz UXCYLIQDTOVVOR-UHFFFAOYSA-N 1 2 334.332 1.075 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091506767 441709773 /nfs/dbraw/zinc/70/97/73/441709773.db2.gz JCFCPKBDCIRONY-OAHLLOKOSA-N 1 2 334.420 1.438 20 5 EDBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000057054623 441777772 /nfs/dbraw/zinc/77/77/72/441777772.db2.gz JBPJTXDJPAASJW-UHFFFAOYSA-N 1 2 343.387 1.923 20 5 EDBDLO Cc1cccc2[nH+]c(CNC(=O)CCn3cc([N+](=O)[O-])cn3)cn21 ZINC000068569806 441825565 /nfs/dbraw/zinc/82/55/65/441825565.db2.gz WLHJZEFCMZDGMJ-UHFFFAOYSA-N 1 2 328.332 1.454 20 5 EDBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000159633158 441826696 /nfs/dbraw/zinc/82/66/96/441826696.db2.gz DRYBKPYETDCKNY-UHFFFAOYSA-N 1 2 340.343 1.535 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nnc[nH]1 ZINC000174817307 441972172 /nfs/dbraw/zinc/97/21/72/441972172.db2.gz NTEFZPWIFODGJU-UHFFFAOYSA-N 1 2 334.336 1.182 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000174817307 441972177 /nfs/dbraw/zinc/97/21/77/441972177.db2.gz NTEFZPWIFODGJU-UHFFFAOYSA-N 1 2 334.336 1.182 20 5 EDBDLO CC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078404522 441929496 /nfs/dbraw/zinc/92/94/96/441929496.db2.gz KWCLZXKPOIEBAW-AWEZNQCLSA-N 1 2 333.388 1.956 20 5 EDBDLO C[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)CS(C)(=O)=O ZINC000162865844 442127655 /nfs/dbraw/zinc/12/76/55/442127655.db2.gz ZBEANPUYLOAEHN-CYBMUJFWSA-N 1 2 341.433 1.398 20 5 EDBDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162610760 442108612 /nfs/dbraw/zinc/10/86/12/442108612.db2.gz TUYBENMELDOQMX-UHFFFAOYSA-N 1 2 345.359 1.711 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)n1 ZINC000176287014 442205084 /nfs/dbraw/zinc/20/50/84/442205084.db2.gz RIZHWJPDXQGFTD-UHFFFAOYSA-N 1 2 339.359 1.566 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3c(nnc3-c3ccccc3)C2)n1 ZINC000176287014 442205085 /nfs/dbraw/zinc/20/50/85/442205085.db2.gz RIZHWJPDXQGFTD-UHFFFAOYSA-N 1 2 339.359 1.566 20 5 EDBDLO CC(C)(C(=O)N1CC[NH+](Cc2ccco2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000166305943 442215852 /nfs/dbraw/zinc/21/58/52/442215852.db2.gz JFAXSRKKWFDWNI-UHFFFAOYSA-N 1 2 347.375 1.464 20 5 EDBDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238680 442269433 /nfs/dbraw/zinc/26/94/33/442269433.db2.gz SXSZXYCVNDNITA-NSHDSACASA-N 1 2 334.376 1.576 20 5 EDBDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238680 442269435 /nfs/dbraw/zinc/26/94/35/442269435.db2.gz SXSZXYCVNDNITA-NSHDSACASA-N 1 2 334.376 1.576 20 5 EDBDLO Cc1sc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170863613 442278148 /nfs/dbraw/zinc/27/81/48/442278148.db2.gz MSFRNXSLEOOYIZ-UHFFFAOYSA-N 1 2 327.406 1.805 20 5 EDBDLO Cc1sc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170863613 442278150 /nfs/dbraw/zinc/27/81/50/442278150.db2.gz MSFRNXSLEOOYIZ-UHFFFAOYSA-N 1 2 327.406 1.805 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000192483550 442652280 /nfs/dbraw/zinc/65/22/80/442652280.db2.gz CFPUHORRMUWSSU-UHFFFAOYSA-N 1 2 341.371 1.964 20 5 EDBDLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000193723606 442774023 /nfs/dbraw/zinc/77/40/23/442774023.db2.gz SCZNTZBKKAIIOE-UHFFFAOYSA-N 1 2 343.343 1.547 20 5 EDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194789452 442953730 /nfs/dbraw/zinc/95/37/30/442953730.db2.gz MHNPFUKWACAKTB-ZDUSSCGKSA-N 1 2 349.387 1.613 20 5 EDBDLO Cc1nc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268536682 443025873 /nfs/dbraw/zinc/02/58/73/443025873.db2.gz YGQRGVIIXCCELD-UHFFFAOYSA-N 1 2 328.332 1.373 20 5 EDBDLO COc1cccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185114417 443141317 /nfs/dbraw/zinc/14/13/17/443141317.db2.gz RIOZNSUPVIUEHS-UHFFFAOYSA-N 1 2 348.403 1.348 20 5 EDBDLO COCC(COC)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000413469460 319269447 /nfs/dbraw/zinc/26/94/47/319269447.db2.gz BHTSXPUIOGAPQK-UHFFFAOYSA-N 1 2 344.799 1.427 20 5 EDBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(N)=O ZINC000264474542 443304440 /nfs/dbraw/zinc/30/44/40/443304440.db2.gz UDUYFGOQSAMIDF-ZDUSSCGKSA-N 1 2 331.332 1.020 20 5 EDBDLO CCOc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000267170548 443366082 /nfs/dbraw/zinc/36/60/82/443366082.db2.gz BYQAVTJFJFFFJD-UHFFFAOYSA-N 1 2 348.403 1.394 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272850880 443466401 /nfs/dbraw/zinc/46/64/01/443466401.db2.gz DFPWMKGOYUZXRV-AWEZNQCLSA-N 1 2 343.343 1.480 20 5 EDBDLO CCOCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271375399 443501712 /nfs/dbraw/zinc/50/17/12/443501712.db2.gz HQQILBCEGHBPIR-UHFFFAOYSA-N 1 2 325.321 1.230 20 5 EDBDLO CCOCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271375399 443501715 /nfs/dbraw/zinc/50/17/15/443501715.db2.gz HQQILBCEGHBPIR-UHFFFAOYSA-N 1 2 325.321 1.230 20 5 EDBDLO CCOC1CC(CNc2ccc([N+](=O)[O-])nc2)([NH+]2CCOCC2)C1 ZINC000443956693 320116684 /nfs/dbraw/zinc/11/66/84/320116684.db2.gz DFSBDSBQKOXKIO-UHFFFAOYSA-N 1 2 336.392 1.672 20 5 EDBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC12COC2 ZINC000449367665 320185139 /nfs/dbraw/zinc/18/51/39/320185139.db2.gz XSOHXGCZJBOBHK-NSHDSACASA-N 1 2 326.374 1.668 20 5 EDBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC12COC2 ZINC000449367665 320185141 /nfs/dbraw/zinc/18/51/41/320185141.db2.gz XSOHXGCZJBOBHK-NSHDSACASA-N 1 2 326.374 1.668 20 5 EDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457107606 320320134 /nfs/dbraw/zinc/32/01/34/320320134.db2.gz WJFUAFIGFFLXKQ-ZDUSSCGKSA-N 1 2 349.387 1.083 20 5 EDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457107606 320320135 /nfs/dbraw/zinc/32/01/35/320320135.db2.gz WJFUAFIGFFLXKQ-ZDUSSCGKSA-N 1 2 349.387 1.083 20 5 EDBDLO CN(C)[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1c[nH+]cn1C ZINC000288106787 443773214 /nfs/dbraw/zinc/77/32/14/443773214.db2.gz AYIZEVAOSKICJY-INIZCTEOSA-N 1 2 345.403 1.632 20 5 EDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCCCF)CC1 ZINC000285323892 443941981 /nfs/dbraw/zinc/94/19/81/443941981.db2.gz WXHWIUPIQWALKQ-UHFFFAOYSA-N 1 2 345.396 1.651 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000565653807 321195230 /nfs/dbraw/zinc/19/52/30/321195230.db2.gz FVLXJEMGLIMUDR-UHFFFAOYSA-N 1 2 347.419 1.255 20 5 EDBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000568951907 321312215 /nfs/dbraw/zinc/31/22/15/321312215.db2.gz SMNIQCNWAAUWPD-LLVKDONJSA-N 1 2 328.394 1.095 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000289935428 444221398 /nfs/dbraw/zinc/22/13/98/444221398.db2.gz WQLCXXIWQDMHGM-LBPRGKRZSA-N 1 2 336.392 1.999 20 5 EDBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CN(C)CC[N@@H+]1C ZINC000296963132 444265780 /nfs/dbraw/zinc/26/57/80/444265780.db2.gz CREHZAHXDMFYOJ-LBPRGKRZSA-N 1 2 345.403 1.809 20 5 EDBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CN(C)CC[N@H+]1C ZINC000296963132 444265781 /nfs/dbraw/zinc/26/57/81/444265781.db2.gz CREHZAHXDMFYOJ-LBPRGKRZSA-N 1 2 345.403 1.809 20 5 EDBDLO Cc1sc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342531221 444734072 /nfs/dbraw/zinc/73/40/72/444734072.db2.gz QPNLESXQRZXOKS-RKDXNWHRSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1sc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342531221 444734076 /nfs/dbraw/zinc/73/40/76/444734076.db2.gz QPNLESXQRZXOKS-RKDXNWHRSA-N 1 2 333.435 1.678 20 5 EDBDLO Cc1sc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000342525137 444731734 /nfs/dbraw/zinc/73/17/34/444731734.db2.gz WOHYXNHZHRQFIO-UHFFFAOYSA-N 1 2 342.402 1.750 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342890803 444921564 /nfs/dbraw/zinc/92/15/64/444921564.db2.gz ZBXUEFPMUNRBSU-UHFFFAOYSA-N 1 2 332.360 1.480 20 5 EDBDLO CN(C)c1[nH]c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000338915399 444930977 /nfs/dbraw/zinc/93/09/77/444930977.db2.gz GQWCAEPANLMHRJ-UHFFFAOYSA-N 1 2 342.315 1.890 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1C ZINC000339073803 445020513 /nfs/dbraw/zinc/02/05/13/445020513.db2.gz MZDPWFSMVYJQDZ-VXGBXAGGSA-N 1 2 341.433 1.925 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339075120 445021458 /nfs/dbraw/zinc/02/14/58/445021458.db2.gz NWPOPKRFVTXDGH-LBPRGKRZSA-N 1 2 337.376 1.370 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339075120 445021462 /nfs/dbraw/zinc/02/14/62/445021462.db2.gz NWPOPKRFVTXDGH-LBPRGKRZSA-N 1 2 337.376 1.370 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000339071271 445019577 /nfs/dbraw/zinc/01/95/77/445019577.db2.gz CROONUUXUVZRBR-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339212530 445091604 /nfs/dbraw/zinc/09/16/04/445091604.db2.gz NNFWNMBSVQCCCG-GXTWGEPZSA-N 1 2 328.390 1.746 20 5 EDBDLO COc1cc(C[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000348414724 445283074 /nfs/dbraw/zinc/28/30/74/445283074.db2.gz XXLKPQFXABGYML-HNNXBMFYSA-N 1 2 345.403 1.826 20 5 EDBDLO COc1cc(C[N@H+]2CCN(C)[C@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000348414724 445283075 /nfs/dbraw/zinc/28/30/75/445283075.db2.gz XXLKPQFXABGYML-HNNXBMFYSA-N 1 2 345.403 1.826 20 5 EDBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000351925831 445379132 /nfs/dbraw/zinc/37/91/32/445379132.db2.gz MCLQLLTVKKVVBG-XFNZEKPQSA-N 1 2 325.390 1.376 20 5 EDBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000351925831 445379135 /nfs/dbraw/zinc/37/91/35/445379135.db2.gz MCLQLLTVKKVVBG-XFNZEKPQSA-N 1 2 325.390 1.376 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357046628 445393557 /nfs/dbraw/zinc/39/35/57/445393557.db2.gz JMYIGAVAXBNFBX-GFCCVEGCSA-N 1 2 345.359 1.784 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000362672563 445492474 /nfs/dbraw/zinc/49/24/74/445492474.db2.gz ZRRDHEGXYRCURK-LLVKDONJSA-N 1 2 346.366 1.817 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000362672563 445492478 /nfs/dbraw/zinc/49/24/78/445492478.db2.gz ZRRDHEGXYRCURK-LLVKDONJSA-N 1 2 346.366 1.817 20 5 EDBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349248984 445546138 /nfs/dbraw/zinc/54/61/38/445546138.db2.gz WGLRKCNAFLCFID-JTQLQIEISA-N 1 2 325.346 1.707 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000362944316 445620318 /nfs/dbraw/zinc/62/03/18/445620318.db2.gz YPIFFYJKGXYIAX-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000362944316 445620323 /nfs/dbraw/zinc/62/03/23/445620323.db2.gz YPIFFYJKGXYIAX-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CCn1cnnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356169921 445659884 /nfs/dbraw/zinc/65/98/84/445659884.db2.gz VJFUGXLEVLAKRL-UHFFFAOYSA-N 1 2 327.304 1.644 20 5 EDBDLO CC(=O)N1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353625042 445680496 /nfs/dbraw/zinc/68/04/96/445680496.db2.gz VHQMZWNEMDZVQP-GDBMZVCRSA-N 1 2 343.387 1.628 20 5 EDBDLO CCN(C)C(=O)CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353669011 445700660 /nfs/dbraw/zinc/70/06/60/445700660.db2.gz HNPNKTHRAZSHGH-HNNXBMFYSA-N 1 2 331.376 1.486 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1c[nH+]ccc1OC ZINC000353776389 445749920 /nfs/dbraw/zinc/74/99/20/445749920.db2.gz APOREIWVYDNFFV-JTQLQIEISA-N 1 2 348.363 1.870 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353897270 445804430 /nfs/dbraw/zinc/80/44/30/445804430.db2.gz BIBNNEHOICLYPQ-GJZGRUSLSA-N 1 2 334.376 1.704 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353897270 445804436 /nfs/dbraw/zinc/80/44/36/445804436.db2.gz BIBNNEHOICLYPQ-GJZGRUSLSA-N 1 2 334.376 1.704 20 5 EDBDLO Cc1ccn2cc(CNC(=O)Nc3ccncc3[N+](=O)[O-])[nH+]c2c1 ZINC000359022585 445893652 /nfs/dbraw/zinc/89/36/52/445893652.db2.gz CPHXXDZXIXXFHR-UHFFFAOYSA-N 1 2 326.316 1.690 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000350829925 445920531 /nfs/dbraw/zinc/92/05/31/445920531.db2.gz JWTJJTSMMDNGFS-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000350829925 445920536 /nfs/dbraw/zinc/92/05/36/445920536.db2.gz JWTJJTSMMDNGFS-STQMWFEESA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccnc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1[N+](=O)[O-] ZINC000364829019 445959206 /nfs/dbraw/zinc/95/92/06/445959206.db2.gz PWLKVTMOEXIPSA-UHFFFAOYSA-N 1 2 335.408 1.335 20 5 EDBDLO Cc1ccnc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1[N+](=O)[O-] ZINC000364829019 445959210 /nfs/dbraw/zinc/95/92/10/445959210.db2.gz PWLKVTMOEXIPSA-UHFFFAOYSA-N 1 2 335.408 1.335 20 5 EDBDLO CCOc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365188774 446072016 /nfs/dbraw/zinc/07/20/16/446072016.db2.gz GDDDHWPDIHZQCN-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CCOc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365188774 446072019 /nfs/dbraw/zinc/07/20/19/446072019.db2.gz GDDDHWPDIHZQCN-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000365305611 446137162 /nfs/dbraw/zinc/13/71/62/446137162.db2.gz PKYYXBFTERIDOU-UHFFFAOYSA-N 1 2 329.360 1.982 20 5 EDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000366237832 446099417 /nfs/dbraw/zinc/09/94/17/446099417.db2.gz AAHZPELLHFJOTF-KRWDZBQOSA-N 1 2 349.387 1.206 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000359519620 446272868 /nfs/dbraw/zinc/27/28/68/446272868.db2.gz WMWYTOLCMNCMNA-UHFFFAOYSA-N 1 2 332.316 1.256 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362348645 446329192 /nfs/dbraw/zinc/32/91/92/446329192.db2.gz LPFZPVHNYIDFBQ-CQSZACIVSA-N 1 2 346.362 2.538 20 5 EDBDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362348645 446329195 /nfs/dbraw/zinc/32/91/95/446329195.db2.gz LPFZPVHNYIDFBQ-CQSZACIVSA-N 1 2 346.362 2.538 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000376114190 446339973 /nfs/dbraw/zinc/33/99/73/446339973.db2.gz MMOCBZOZCFRLNB-SNVBAGLBSA-N 1 2 331.332 1.449 20 5 EDBDLO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000376162840 446362200 /nfs/dbraw/zinc/36/22/00/446362200.db2.gz PBTUYGMJWORBFQ-OAHLLOKOSA-N 1 2 346.387 1.796 20 5 EDBDLO CC(C)c1ccc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000376162840 446362203 /nfs/dbraw/zinc/36/22/03/446362203.db2.gz PBTUYGMJWORBFQ-OAHLLOKOSA-N 1 2 346.387 1.796 20 5 EDBDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)no1 ZINC000367163311 446515816 /nfs/dbraw/zinc/51/58/16/446515816.db2.gz BTGLEEPCZRCGHA-LBPRGKRZSA-N 1 2 332.364 1.579 20 5 EDBDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)no1 ZINC000367163311 446515820 /nfs/dbraw/zinc/51/58/20/446515820.db2.gz BTGLEEPCZRCGHA-LBPRGKRZSA-N 1 2 332.364 1.579 20 5 EDBDLO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCN(c4cccc[nH+]4)C3)nn21 ZINC000367209574 446521862 /nfs/dbraw/zinc/52/18/62/446521862.db2.gz RYNVUPWEOSVQNL-GFCCVEGCSA-N 1 2 339.359 2.113 20 5 EDBDLO COC(=O)c1cc(C)nc(N2CCn3cc(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000367427174 446543957 /nfs/dbraw/zinc/54/39/57/446543957.db2.gz WWFUFFZZBYSIOH-UHFFFAOYSA-N 1 2 331.332 1.610 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000371257136 446720788 /nfs/dbraw/zinc/72/07/88/446720788.db2.gz WKFLOEALZXFIHP-GFCCVEGCSA-N 1 2 347.379 1.173 20 5 EDBDLO CCS(=O)(=O)NCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413107433 447005622 /nfs/dbraw/zinc/00/56/22/447005622.db2.gz PUJOOXMJZMMQSF-UHFFFAOYSA-N 1 2 338.389 1.884 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375731380 447008695 /nfs/dbraw/zinc/00/86/95/447008695.db2.gz NKODXTPVTONWQL-UHFFFAOYSA-N 1 2 333.352 1.035 20 5 EDBDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372474515 447073123 /nfs/dbraw/zinc/07/31/23/447073123.db2.gz UNKGRBQIWQQKLS-ZDUSSCGKSA-N 1 2 333.396 1.938 20 5 EDBDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372474515 447073128 /nfs/dbraw/zinc/07/31/28/447073128.db2.gz UNKGRBQIWQQKLS-ZDUSSCGKSA-N 1 2 333.396 1.938 20 5 EDBDLO NC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000421603720 447192714 /nfs/dbraw/zinc/19/27/14/447192714.db2.gz WNHZRELGODDVBM-UHFFFAOYSA-N 1 2 343.343 1.166 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425504398 447199144 /nfs/dbraw/zinc/19/91/44/447199144.db2.gz WELPPYIQSKUYME-OAHLLOKOSA-N 1 2 344.375 1.486 20 5 EDBDLO CN(C(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425504398 447199149 /nfs/dbraw/zinc/19/91/49/447199149.db2.gz WELPPYIQSKUYME-OAHLLOKOSA-N 1 2 344.375 1.486 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377582804 447222517 /nfs/dbraw/zinc/22/25/17/447222517.db2.gz KSLGXKPCZZFSIK-LLVKDONJSA-N 1 2 333.348 1.807 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377582804 447222521 /nfs/dbraw/zinc/22/25/21/447222521.db2.gz KSLGXKPCZZFSIK-LLVKDONJSA-N 1 2 333.348 1.807 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425555953 447229061 /nfs/dbraw/zinc/22/90/61/447229061.db2.gz ZCGNXIUQDAXJRY-JTQLQIEISA-N 1 2 346.347 1.150 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425555953 447229066 /nfs/dbraw/zinc/22/90/66/447229066.db2.gz ZCGNXIUQDAXJRY-JTQLQIEISA-N 1 2 346.347 1.150 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)o1 ZINC000450898667 447609380 /nfs/dbraw/zinc/60/93/80/447609380.db2.gz UJKQXUTYBAJIIR-VIFPVBQESA-N 1 2 344.331 1.939 20 5 EDBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)o1 ZINC000450898667 447609386 /nfs/dbraw/zinc/60/93/86/447609386.db2.gz UJKQXUTYBAJIIR-VIFPVBQESA-N 1 2 344.331 1.939 20 5 EDBDLO COC(=O)[C@@H]1CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000496539420 447812677 /nfs/dbraw/zinc/81/26/77/447812677.db2.gz LAMZGVGDMKJAPM-ZDUSSCGKSA-N 1 2 337.332 1.020 20 5 EDBDLO COC(=O)[C@@H]1CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000496539420 447812679 /nfs/dbraw/zinc/81/26/79/447812679.db2.gz LAMZGVGDMKJAPM-ZDUSSCGKSA-N 1 2 337.332 1.020 20 5 EDBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451937808 447791808 /nfs/dbraw/zinc/79/18/08/447791808.db2.gz WJBSKMDZWMSPEI-SNVBAGLBSA-N 1 2 333.435 1.761 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451937808 447791811 /nfs/dbraw/zinc/79/18/11/447791811.db2.gz WJBSKMDZWMSPEI-SNVBAGLBSA-N 1 2 333.435 1.761 20 5 EDBDLO C[C@H]1[C@@H](CO)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488749242 447850297 /nfs/dbraw/zinc/85/02/97/447850297.db2.gz QZMYEXKYFXAXJN-NWDGAFQWSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@H]1[C@@H](CO)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 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NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368948024 283339066 /nfs/dbraw/zinc/33/90/66/283339066.db2.gz AJNIRKYOKCLYTP-LKTVYLICSA-N 1 2 347.371 1.547 20 5 EDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368948024 283339072 /nfs/dbraw/zinc/33/90/72/283339072.db2.gz AJNIRKYOKCLYTP-LKTVYLICSA-N 1 2 347.371 1.547 20 5 EDBDLO O=C(CN1CCC[C@H]1C[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000072768195 216304177 /nfs/dbraw/zinc/30/41/77/216304177.db2.gz XXTAALQEEXAFQS-AWEZNQCLSA-N 1 2 348.403 1.330 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000072768195 216304180 /nfs/dbraw/zinc/30/41/80/216304180.db2.gz XXTAALQEEXAFQS-AWEZNQCLSA-N 1 2 348.403 1.330 20 5 EDBDLO O=C(C[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000072768195 216304182 /nfs/dbraw/zinc/30/41/82/216304182.db2.gz XXTAALQEEXAFQS-AWEZNQCLSA-N 1 2 348.403 1.330 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1O 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Cc1ccc2[nH+]c(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cn2c1 ZINC000340115269 142270394 /nfs/dbraw/zinc/27/03/94/142270394.db2.gz CDMOLEFWHZMLQH-UHFFFAOYSA-N 1 2 326.316 1.657 20 5 EDBDLO COc1cc(C[N@H+](C)[C@H]2CCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000340225528 142311803 /nfs/dbraw/zinc/31/18/03/142311803.db2.gz KVOKRNHSASUJBO-VIFPVBQESA-N 1 2 345.302 1.525 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@H]2CCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000340225528 142311804 /nfs/dbraw/zinc/31/18/04/142311804.db2.gz KVOKRNHSASUJBO-VIFPVBQESA-N 1 2 345.302 1.525 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000345228612 143067118 /nfs/dbraw/zinc/06/71/18/143067118.db2.gz WUANPFLXBYZPIZ-UHFFFAOYSA-N 1 2 340.343 1.503 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)n1 ZINC000346895222 143257305 /nfs/dbraw/zinc/25/73/05/143257305.db2.gz JVQWUOFVCPCKLC-PWSUYJOCSA-N 1 2 348.363 1.787 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)n1 ZINC000346895222 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1.656 20 5 EDBDLO CCN(C)C(=O)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353669012 149482940 /nfs/dbraw/zinc/48/29/40/149482940.db2.gz HNPNKTHRAZSHGH-OAHLLOKOSA-N 1 2 331.376 1.486 20 5 EDBDLO C[C@@H](O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000354893751 150015672 /nfs/dbraw/zinc/01/56/72/150015672.db2.gz NBLZWZAGBQAYJS-LLVKDONJSA-N 1 2 327.406 1.575 20 5 EDBDLO Cc1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000355316847 150214489 /nfs/dbraw/zinc/21/44/89/150214489.db2.gz JRNUVVSBWKFHTA-UHFFFAOYSA-N 1 2 344.375 1.976 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])CCC2 ZINC000357445084 151034455 /nfs/dbraw/zinc/03/44/55/151034455.db2.gz VJIHJPZNBRAGSE-JTQLQIEISA-N 1 2 330.348 1.583 20 5 EDBDLO Cc1cn2c([nH+]1)CN([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000360693594 152155147 /nfs/dbraw/zinc/15/51/47/152155147.db2.gz SMGOSRLKUPQIHP-GFCCVEGCSA-N 1 2 329.360 1.943 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000363447547 152970189 /nfs/dbraw/zinc/97/01/89/152970189.db2.gz BZPIXHSSDNXDEU-UHFFFAOYSA-N 1 2 344.375 1.574 20 5 EDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000363793254 153057429 /nfs/dbraw/zinc/05/74/29/153057429.db2.gz YVHUSTVLKOQYPV-GFCCVEGCSA-N 1 2 332.364 1.006 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364196904 153170673 /nfs/dbraw/zinc/17/06/73/153170673.db2.gz QKIHVXVKZNTGRM-INTQDDNPSA-N 1 2 343.767 1.003 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364196904 153170674 /nfs/dbraw/zinc/17/06/74/153170674.db2.gz QKIHVXVKZNTGRM-INTQDDNPSA-N 1 2 343.767 1.003 20 5 EDBDLO COc1cccc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1[N+](=O)[O-] ZINC000372173248 286456922 /nfs/dbraw/zinc/45/69/22/286456922.db2.gz PDYGPBGQTATUOK-UHFFFAOYSA-N 1 2 348.403 1.524 20 5 EDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000374372027 157264255 /nfs/dbraw/zinc/26/42/55/157264255.db2.gz NGYBFFTWVBTIEU-LBPRGKRZSA-N 1 2 345.359 1.124 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000408083874 158260979 /nfs/dbraw/zinc/26/09/79/158260979.db2.gz LCYCKTMEIZREHX-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000408083874 158260981 /nfs/dbraw/zinc/26/09/81/158260981.db2.gz LCYCKTMEIZREHX-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000363028237 162311332 /nfs/dbraw/zinc/31/13/32/162311332.db2.gz OKGDSHHPKAFGJT-UHFFFAOYSA-N 1 2 343.387 1.676 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000122666120 222133825 /nfs/dbraw/zinc/13/38/25/222133825.db2.gz KFYJHGNOGMTNEH-GFCCVEGCSA-N 1 2 337.376 1.665 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000122666120 222133828 /nfs/dbraw/zinc/13/38/28/222133828.db2.gz KFYJHGNOGMTNEH-GFCCVEGCSA-N 1 2 337.376 1.665 20 5 EDBDLO CCO[C@@H]1C[C@]([NH2+]CCn2cc([N+](=O)[O-])cn2)(C(=O)OC)C1(C)C ZINC000189874204 272969843 /nfs/dbraw/zinc/96/98/43/272969843.db2.gz VVSBOVIGKJESRM-DOMZBBRYSA-N 1 2 340.380 1.128 20 5 EDBDLO CCO[C@@H]1C[C@@]([NH2+]CCn2cc([N+](=O)[O-])cn2)(C(=O)OC)C1(C)C ZINC000189874239 272969909 /nfs/dbraw/zinc/96/99/09/272969909.db2.gz VVSBOVIGKJESRM-IUODEOHRSA-N 1 2 340.380 1.128 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000273990858 268095246 /nfs/dbraw/zinc/09/52/46/268095246.db2.gz LXGQZODQFRYRFD-GFCCVEGCSA-N 1 2 347.375 1.069 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000273990858 268095248 /nfs/dbraw/zinc/09/52/48/268095248.db2.gz LXGQZODQFRYRFD-GFCCVEGCSA-N 1 2 347.375 1.069 20 5 EDBDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274628759 268171947 /nfs/dbraw/zinc/17/19/47/268171947.db2.gz RVDABTOSQBRFKF-INIZCTEOSA-N 1 2 335.404 1.754 20 5 EDBDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274628759 268171948 /nfs/dbraw/zinc/17/19/48/268171948.db2.gz RVDABTOSQBRFKF-INIZCTEOSA-N 1 2 335.404 1.754 20 5 EDBDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275442358 268343491 /nfs/dbraw/zinc/34/34/91/268343491.db2.gz KOZXJWZEMSBPDW-AWEZNQCLSA-N 1 2 342.417 1.461 20 5 EDBDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275442358 268343492 /nfs/dbraw/zinc/34/34/92/268343492.db2.gz KOZXJWZEMSBPDW-AWEZNQCLSA-N 1 2 342.417 1.461 20 5 EDBDLO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ncn(C)n1 ZINC000275598615 268365153 /nfs/dbraw/zinc/36/51/53/268365153.db2.gz KHXOSLQVAHJACB-VIFPVBQESA-N 1 2 336.327 1.542 20 5 EDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000279231218 273286380 /nfs/dbraw/zinc/28/63/80/273286380.db2.gz OXSQYNMGUGFHJG-UHFFFAOYSA-N 1 2 333.323 1.990 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000284380016 274181741 /nfs/dbraw/zinc/18/17/41/274181741.db2.gz FKQVBQGXFRYDNP-HZPDHXFCSA-N 1 2 349.387 1.366 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000284380016 274181744 /nfs/dbraw/zinc/18/17/44/274181744.db2.gz FKQVBQGXFRYDNP-HZPDHXFCSA-N 1 2 349.387 1.366 20 5 EDBDLO COc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000371107986 277381878 /nfs/dbraw/zinc/38/18/78/277381878.db2.gz PZRQTVWLQVKPNB-NSHDSACASA-N 1 2 325.340 1.653 20 5 EDBDLO Cc1c(NC(=O)CC[N@@H+](C)Cc2nncn2C)cccc1[N+](=O)[O-] ZINC000287002693 288134856 /nfs/dbraw/zinc/13/48/56/288134856.db2.gz QEVNOZLAXJTSJA-UHFFFAOYSA-N 1 2 332.364 1.492 20 5 EDBDLO Cc1c(NC(=O)CC[N@H+](C)Cc2nncn2C)cccc1[N+](=O)[O-] ZINC000287002693 288134859 /nfs/dbraw/zinc/13/48/59/288134859.db2.gz QEVNOZLAXJTSJA-UHFFFAOYSA-N 1 2 332.364 1.492 20 5 EDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451935185 281164631 /nfs/dbraw/zinc/16/46/31/281164631.db2.gz RAUBYMNRQTVPRW-LBPRGKRZSA-N 1 2 327.406 1.700 20 5 EDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451935185 281164632 /nfs/dbraw/zinc/16/46/32/281164632.db2.gz RAUBYMNRQTVPRW-LBPRGKRZSA-N 1 2 327.406 1.700 20 5 EDBDLO NC(=O)C1([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000370975904 295032896 /nfs/dbraw/zinc/03/28/96/295032896.db2.gz HYVPOZNPGFMQMK-UHFFFAOYSA-N 1 2 333.392 1.300 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000296743360 303335134 /nfs/dbraw/zinc/33/51/34/303335134.db2.gz OLSBARNNBHSBFY-GFCCVEGCSA-N 1 2 337.376 1.132 20 5 EDBDLO CCCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448694388 447342880 /nfs/dbraw/zinc/34/28/80/447342880.db2.gz MGDYMMLJXWTBQW-UHFFFAOYSA-N 1 2 345.359 1.508 20 5 EDBDLO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000424008066 304924743 /nfs/dbraw/zinc/92/47/43/304924743.db2.gz WAEYFPQSFMRFJG-BBRMVZONSA-N 1 2 349.387 1.659 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000433112031 305100604 /nfs/dbraw/zinc/10/06/04/305100604.db2.gz ZCRNIMPQHSOUMY-CQSZACIVSA-N 1 2 347.350 1.596 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434705910 305128568 /nfs/dbraw/zinc/12/85/68/305128568.db2.gz LCDFLLPIDHKTGI-LBPRGKRZSA-N 1 2 333.392 1.624 20 5 EDBDLO CC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)COC1 ZINC000441193765 305218721 /nfs/dbraw/zinc/21/87/21/305218721.db2.gz GQUIVHBRQWLSAG-UHFFFAOYSA-N 1 2 325.390 1.451 20 5 EDBDLO CNC(=O)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809037 305285950 /nfs/dbraw/zinc/28/59/50/305285950.db2.gz AHZFMJHDNCUEQE-UHFFFAOYSA-N 1 2 336.392 1.365 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1nnc[nH]1 ZINC000447816611 305286174 /nfs/dbraw/zinc/28/61/74/305286174.db2.gz KAFRAOCBLLKWAG-UHFFFAOYSA-N 1 2 332.364 1.200 20 5 EDBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(N)=O ZINC000448928881 305304545 /nfs/dbraw/zinc/30/45/45/305304545.db2.gz OJRZTHSXAQSQTN-ZDUSSCGKSA-N 1 2 331.332 1.020 20 5 EDBDLO CC(C)(C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449867249 305321088 /nfs/dbraw/zinc/32/10/88/305321088.db2.gz AKFWBJNLFIUIRQ-UHFFFAOYSA-N 1 2 346.343 1.852 20 5 EDBDLO CCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452126118 305384412 /nfs/dbraw/zinc/38/44/12/305384412.db2.gz QLKBVTXNDHWCPT-UHFFFAOYSA-N 1 2 331.332 1.118 20 5 EDBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cn1cc[nH+]c1 ZINC000524822728 305820421 /nfs/dbraw/zinc/82/04/21/305820421.db2.gz MAWROJACNSVYPN-NSHDSACASA-N 1 2 346.343 1.629 20 5 EDBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532152278 305975467 /nfs/dbraw/zinc/97/54/67/305975467.db2.gz DPZVDRJAUMSSQF-UHFFFAOYSA-N 1 2 340.295 1.901 20 5 EDBDLO Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534299622 306005225 /nfs/dbraw/zinc/00/52/25/306005225.db2.gz WAPHNUGLEZKZST-UHFFFAOYSA-N 1 2 349.368 1.684 20 5 EDBDLO CCCn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000534336882 306006199 /nfs/dbraw/zinc/00/61/99/306006199.db2.gz WQGRZPJVNNKTJW-UHFFFAOYSA-N 1 2 330.392 1.919 20 5 EDBDLO C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000458629547 447430932 /nfs/dbraw/zinc/43/09/32/447430932.db2.gz YUZWIRHMVBQROH-MELADBBJSA-N 1 2 348.403 1.818 20 5 EDBDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000458629547 447430937 /nfs/dbraw/zinc/43/09/37/447430937.db2.gz YUZWIRHMVBQROH-MELADBBJSA-N 1 2 348.403 1.818 20 5 EDBDLO COC(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000045162272 440957498 /nfs/dbraw/zinc/95/74/98/440957498.db2.gz IYQXXAUPXWSHGA-UHFFFAOYSA-N 1 2 332.316 1.398 20 5 EDBDLO CC(C)C[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000045262787 440968031 /nfs/dbraw/zinc/96/80/31/440968031.db2.gz HZMPTFRKWGALBU-UHFFFAOYSA-N 1 2 331.376 1.885 20 5 EDBDLO CC(=O)N1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000046503757 441112507 /nfs/dbraw/zinc/11/25/07/441112507.db2.gz OKXZWVDSKSMQBF-UHFFFAOYSA-N 1 2 345.359 1.699 20 5 EDBDLO CC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000046503757 441112512 /nfs/dbraw/zinc/11/25/12/441112512.db2.gz OKXZWVDSKSMQBF-UHFFFAOYSA-N 1 2 345.359 1.699 20 5 EDBDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000016738750 441231443 /nfs/dbraw/zinc/23/14/43/441231443.db2.gz KVXMLRMNVNFBKB-UHFFFAOYSA-N 1 2 330.344 1.609 20 5 EDBDLO CN(C)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080947132 441211330 /nfs/dbraw/zinc/21/13/30/441211330.db2.gz XYCJDOUUDQSFIV-UHFFFAOYSA-N 1 2 340.811 1.849 20 5 EDBDLO CN(C)C(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080947132 441211333 /nfs/dbraw/zinc/21/13/33/441211333.db2.gz XYCJDOUUDQSFIV-UHFFFAOYSA-N 1 2 340.811 1.849 20 5 EDBDLO Cc1cc(N2CC[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060859956 441259669 /nfs/dbraw/zinc/25/96/69/441259669.db2.gz OEDBYYKHFJVYMM-LBPRGKRZSA-N 1 2 327.344 1.672 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000106856632 441378724 /nfs/dbraw/zinc/37/87/24/441378724.db2.gz TXYUNVKTOHWKME-LBPRGKRZSA-N 1 2 339.396 1.965 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000106856632 441378726 /nfs/dbraw/zinc/37/87/26/441378726.db2.gz TXYUNVKTOHWKME-LBPRGKRZSA-N 1 2 339.396 1.965 20 5 EDBDLO Cc1nn(C)c(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000051799480 441423903 /nfs/dbraw/zinc/42/39/03/441423903.db2.gz IIOCNTHELMSQIU-UHFFFAOYSA-N 1 2 332.364 1.480 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000052951192 441489532 /nfs/dbraw/zinc/48/95/32/441489532.db2.gz NPJVHAUEELRNFQ-UHFFFAOYSA-N 1 2 344.371 1.760 20 5 EDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777275 441521335 /nfs/dbraw/zinc/52/13/35/441521335.db2.gz ZTUYUPYYEMITJS-LLVKDONJSA-N 1 2 336.373 1.886 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174126 441563030 /nfs/dbraw/zinc/56/30/30/441563030.db2.gz GDUUNZVKIIOTRP-LBPRGKRZSA-N 1 2 340.449 1.689 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000113262751 441594600 /nfs/dbraw/zinc/59/46/00/441594600.db2.gz KJEQALVIWFLVAG-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000113262751 441594605 /nfs/dbraw/zinc/59/46/05/441594605.db2.gz KJEQALVIWFLVAG-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041778092 441672611 /nfs/dbraw/zinc/67/26/11/441672611.db2.gz NMWXGXXFYYMKJE-UHFFFAOYSA-N 1 2 340.343 1.786 20 5 EDBDLO CCC(CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000159582619 441823076 /nfs/dbraw/zinc/82/30/76/441823076.db2.gz GRLBRPYVZRFDII-LBPRGKRZSA-N 1 2 339.396 1.185 20 5 EDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000124142070 441910057 /nfs/dbraw/zinc/91/00/57/441910057.db2.gz TWGBJIROEOSGIM-VHSXEESVSA-N 1 2 343.380 1.637 20 5 EDBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000124142070 441910061 /nfs/dbraw/zinc/91/00/61/441910061.db2.gz TWGBJIROEOSGIM-VHSXEESVSA-N 1 2 343.380 1.637 20 5 EDBDLO O=C([C@H]1CCCO1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000160973413 441942528 /nfs/dbraw/zinc/94/25/28/441942528.db2.gz CJYLIMPNICIKQQ-ZNNBYXKUSA-N 1 2 345.399 1.931 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000152478512 442217655 /nfs/dbraw/zinc/21/76/55/442217655.db2.gz OTHDVUVJDNSHKS-UHFFFAOYSA-N 1 2 325.390 1.205 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCC[C@H](OCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000172302054 442438684 /nfs/dbraw/zinc/43/86/84/442438684.db2.gz FDIHVZCPHQZCGD-HNNXBMFYSA-N 1 2 337.376 1.031 20 5 EDBDLO CN(C(=O)C[N@H+]1CCC[C@H](OCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000172302054 442438685 /nfs/dbraw/zinc/43/86/85/442438685.db2.gz FDIHVZCPHQZCGD-HNNXBMFYSA-N 1 2 337.376 1.031 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179453997 442459222 /nfs/dbraw/zinc/45/92/22/442459222.db2.gz HDBWPWNRNFORQC-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179453997 442459227 /nfs/dbraw/zinc/45/92/27/442459227.db2.gz HDBWPWNRNFORQC-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000156897515 442530959 /nfs/dbraw/zinc/53/09/59/442530959.db2.gz PDKQQWDXKDWPQE-DZGCQCFKSA-N 1 2 347.375 1.300 20 5 EDBDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000156897515 442530963 /nfs/dbraw/zinc/53/09/63/442530963.db2.gz PDKQQWDXKDWPQE-DZGCQCFKSA-N 1 2 347.375 1.300 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000173028216 442589109 /nfs/dbraw/zinc/58/91/09/442589109.db2.gz HHJUIJBSQDVOFI-OAHLLOKOSA-N 1 2 346.387 1.021 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173073677 442598817 /nfs/dbraw/zinc/59/88/17/442598817.db2.gz ZRPVCCKEIRWZFP-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173073677 442598821 /nfs/dbraw/zinc/59/88/21/442598821.db2.gz ZRPVCCKEIRWZFP-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157648160 442600892 /nfs/dbraw/zinc/60/08/92/442600892.db2.gz KUERUVPQDCCADQ-GFCCVEGCSA-N 1 2 336.392 1.626 20 5 EDBDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157648160 442600894 /nfs/dbraw/zinc/60/08/94/442600894.db2.gz KUERUVPQDCCADQ-GFCCVEGCSA-N 1 2 336.392 1.626 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192553774 442661786 /nfs/dbraw/zinc/66/17/86/442661786.db2.gz DEKYJRJGGJIUHO-UHFFFAOYSA-N 1 2 337.376 1.398 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000193173878 442720117 /nfs/dbraw/zinc/72/01/17/442720117.db2.gz QWGUZKRMPHZIIO-UHFFFAOYSA-N 1 2 340.361 1.169 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000182586451 442790858 /nfs/dbraw/zinc/79/08/58/442790858.db2.gz WQVQSYJJHBXOLJ-GFCCVEGCSA-N 1 2 327.406 1.541 20 5 EDBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194023803 442831933 /nfs/dbraw/zinc/83/19/33/442831933.db2.gz RGQGABFNXSTNQB-UHFFFAOYSA-N 1 2 345.315 1.155 20 5 EDBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194023803 442831936 /nfs/dbraw/zinc/83/19/36/442831936.db2.gz RGQGABFNXSTNQB-UHFFFAOYSA-N 1 2 345.315 1.155 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000183116001 442883268 /nfs/dbraw/zinc/88/32/68/442883268.db2.gz WVXPOSCWFXTRBI-QWHCGFSZSA-N 1 2 341.433 1.930 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000183116001 442883271 /nfs/dbraw/zinc/88/32/71/442883271.db2.gz WVXPOSCWFXTRBI-QWHCGFSZSA-N 1 2 341.433 1.930 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000194725939 442944225 /nfs/dbraw/zinc/94/42/25/442944225.db2.gz CSXRCGZQKPVSNL-TXEJJXNPSA-N 1 2 339.367 1.915 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000194725939 442944228 /nfs/dbraw/zinc/94/42/28/442944228.db2.gz CSXRCGZQKPVSNL-TXEJJXNPSA-N 1 2 339.367 1.915 20 5 EDBDLO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000189481141 442964876 /nfs/dbraw/zinc/96/48/76/442964876.db2.gz FCYTZKBCNJMQNP-LBPRGKRZSA-N 1 2 349.309 1.803 20 5 EDBDLO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000189481141 442964880 /nfs/dbraw/zinc/96/48/80/442964880.db2.gz FCYTZKBCNJMQNP-LBPRGKRZSA-N 1 2 349.309 1.803 20 5 EDBDLO COc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c1OC ZINC000265944046 442978596 /nfs/dbraw/zinc/97/85/96/442978596.db2.gz KIBOPGRYLWYEFA-JTQLQIEISA-N 1 2 334.332 1.627 20 5 EDBDLO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266299083 443090095 /nfs/dbraw/zinc/09/00/95/443090095.db2.gz NKOSHUAWFQHRHH-CMPLNLGQSA-N 1 2 345.396 1.741 20 5 EDBDLO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266299083 443090098 /nfs/dbraw/zinc/09/00/98/443090098.db2.gz NKOSHUAWFQHRHH-CMPLNLGQSA-N 1 2 345.396 1.741 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000266272205 443082230 /nfs/dbraw/zinc/08/22/30/443082230.db2.gz ZPEJHUUMBROXRJ-CZUORRHYSA-N 1 2 333.388 1.696 20 5 EDBDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000264305959 443259451 /nfs/dbraw/zinc/25/94/51/443259451.db2.gz XJCJHXLLCSGYJO-LLVKDONJSA-N 1 2 332.364 1.863 20 5 EDBDLO CN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)S(C)(=O)=O ZINC000267039978 443320946 /nfs/dbraw/zinc/32/09/46/443320946.db2.gz YSHJSYDKEHQTHB-UHFFFAOYSA-N 1 2 345.396 1.590 20 5 EDBDLO CC(=O)c1ccc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000267518340 443483262 /nfs/dbraw/zinc/48/32/62/443483262.db2.gz FCOABHGFCVJAJJ-YVEFUNNKSA-N 1 2 333.388 1.954 20 5 EDBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267527751 443485530 /nfs/dbraw/zinc/48/55/30/443485530.db2.gz UCESEBZITIPRIL-UHFFFAOYSA-N 1 2 336.392 1.127 20 5 EDBDLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272965136 443504604 /nfs/dbraw/zinc/50/46/04/443504604.db2.gz ANDKUVXRRRYBNW-LLVKDONJSA-N 1 2 326.349 1.266 20 5 EDBDLO COC(=O)C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000267607049 443512666 /nfs/dbraw/zinc/51/26/66/443512666.db2.gz ARCYDPZDKRWGIC-OAHLLOKOSA-N 1 2 338.360 1.628 20 5 EDBDLO COC(=O)C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000267607049 443512669 /nfs/dbraw/zinc/51/26/69/443512669.db2.gz ARCYDPZDKRWGIC-OAHLLOKOSA-N 1 2 338.360 1.628 20 5 EDBDLO CN(C)c1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c[nH+]1 ZINC000272207746 443556908 /nfs/dbraw/zinc/55/69/08/443556908.db2.gz HHQJMZMJZWGXBI-UHFFFAOYSA-N 1 2 344.327 1.715 20 5 EDBDLO COC(=O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000273372364 443567817 /nfs/dbraw/zinc/56/78/17/443567817.db2.gz RXNAXLBVOICKJB-LBPRGKRZSA-N 1 2 326.349 1.218 20 5 EDBDLO COC(=O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000273372364 443567819 /nfs/dbraw/zinc/56/78/19/443567819.db2.gz RXNAXLBVOICKJB-LBPRGKRZSA-N 1 2 326.349 1.218 20 5 EDBDLO CC[C@@H](NC(=O)C(=O)NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000283245151 443573999 /nfs/dbraw/zinc/57/39/99/443573999.db2.gz DBQUQPMHTGJSEZ-CQSZACIVSA-N 1 2 345.359 1.175 20 5 EDBDLO C[C@H](C[S@](C)=O)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273147350 443550999 /nfs/dbraw/zinc/55/09/99/443550999.db2.gz GQFDNFQUXVCCKK-IXNJGMSNSA-N 1 2 336.417 1.774 20 5 EDBDLO CCCn1ncnc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447889511 320146239 /nfs/dbraw/zinc/14/62/39/320146239.db2.gz HTPVMNBEVBEVHD-LBPRGKRZSA-N 1 2 331.380 1.678 20 5 EDBDLO CCCn1ncnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000447889511 320146241 /nfs/dbraw/zinc/14/62/41/320146241.db2.gz HTPVMNBEVBEVHD-LBPRGKRZSA-N 1 2 331.380 1.678 20 5 EDBDLO Cc1ccc([C@H](C)N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1[N+](=O)[O-] ZINC000288115899 443776479 /nfs/dbraw/zinc/77/64/79/443776479.db2.gz BKXPXMUUFMOZDP-GWCFXTLKSA-N 1 2 343.343 1.850 20 5 EDBDLO Cc1ccc([C@H](C)N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1[N+](=O)[O-] ZINC000288115899 443776482 /nfs/dbraw/zinc/77/64/82/443776482.db2.gz BKXPXMUUFMOZDP-GWCFXTLKSA-N 1 2 343.343 1.850 20 5 EDBDLO Nc1nc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000298716218 443847533 /nfs/dbraw/zinc/84/75/33/443847533.db2.gz MAPRJRNPXKQDQE-ZDUSSCGKSA-N 1 2 344.375 1.452 20 5 EDBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000565458081 321187323 /nfs/dbraw/zinc/18/73/23/321187323.db2.gz WDIPVXLKBMDGGF-UHFFFAOYSA-N 1 2 339.417 1.701 20 5 EDBDLO CN(C)[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[nH+]cn1C ZINC000285853109 444129839 /nfs/dbraw/zinc/12/98/39/444129839.db2.gz ULRFVNIYPPJLDN-ZDUSSCGKSA-N 1 2 343.347 1.446 20 5 EDBDLO Cc1nc(N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc[nH+]1 ZINC000302176383 444207135 /nfs/dbraw/zinc/20/71/35/444207135.db2.gz XEGJFSKQMXTFFK-UHFFFAOYSA-N 1 2 340.347 1.063 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000296430314 444228864 /nfs/dbraw/zinc/22/88/64/444228864.db2.gz IWTMQXSDBWBOSP-GFCCVEGCSA-N 1 2 347.379 1.318 20 5 EDBDLO Cn1ncc2c1nc(N1CCc3ccc([N+](=O)[O-])cc3C1)[nH+]c2N ZINC000302898833 444230575 /nfs/dbraw/zinc/23/05/75/444230575.db2.gz SBNGLECWODHQBF-UHFFFAOYSA-N 1 2 325.332 1.416 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297641806 444312520 /nfs/dbraw/zinc/31/25/20/444312520.db2.gz XVNYPIWZVFDFLW-UHFFFAOYSA-N 1 2 343.387 1.529 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000338259583 444593169 /nfs/dbraw/zinc/59/31/69/444593169.db2.gz VHENUHHGZDPLBG-LBPRGKRZSA-N 1 2 349.778 1.768 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000338606766 444772732 /nfs/dbraw/zinc/77/27/32/444772732.db2.gz MEQJCZCCFUPYCC-LLVKDONJSA-N 1 2 330.344 1.935 20 5 EDBDLO Cn1cc([C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000339129573 445046223 /nfs/dbraw/zinc/04/62/23/445046223.db2.gz TZYJFQUNKDUKAF-DZGCQCFKSA-N 1 2 332.360 1.242 20 5 EDBDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000339129573 445046227 /nfs/dbraw/zinc/04/62/27/445046227.db2.gz TZYJFQUNKDUKAF-DZGCQCFKSA-N 1 2 332.360 1.242 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCOC[C@H]1C ZINC000341983265 445107235 /nfs/dbraw/zinc/10/72/35/445107235.db2.gz MHZVGKZFUGGODT-GFCCVEGCSA-N 1 2 337.376 1.822 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1CCOC[C@H]1C ZINC000341983265 445107239 /nfs/dbraw/zinc/10/72/39/445107239.db2.gz MHZVGKZFUGGODT-GFCCVEGCSA-N 1 2 337.376 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CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000330789776 445142217 /nfs/dbraw/zinc/14/22/17/445142217.db2.gz AGNIIMFTWRLMAV-WCQYABFASA-N 1 2 337.376 1.218 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000343360728 445209788 /nfs/dbraw/zinc/20/97/88/445209788.db2.gz MVQQEQNKXXLELE-NSHDSACASA-N 1 2 337.380 1.034 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000343360728 445209789 /nfs/dbraw/zinc/20/97/89/445209789.db2.gz MVQQEQNKXXLELE-NSHDSACASA-N 1 2 337.380 1.034 20 5 EDBDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000345661731 445195119 /nfs/dbraw/zinc/19/51/19/445195119.db2.gz WHDREURTBCTSPI-UKRRQHHQSA-N 1 2 337.401 1.499 20 5 EDBDLO C[N@H+]1CCO[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000345661731 445195123 /nfs/dbraw/zinc/19/51/23/445195123.db2.gz WHDREURTBCTSPI-UKRRQHHQSA-N 1 2 337.401 1.499 20 5 EDBDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 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KYVWFLCRCLLTFV-DOMZBBRYSA-N 1 2 349.387 1.531 20 5 EDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366182671 446068092 /nfs/dbraw/zinc/06/80/92/446068092.db2.gz XRXUCDLRLFHVGR-OAHLLOKOSA-N 1 2 334.376 1.257 20 5 EDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366182671 446068097 /nfs/dbraw/zinc/06/80/97/446068097.db2.gz XRXUCDLRLFHVGR-OAHLLOKOSA-N 1 2 334.376 1.257 20 5 EDBDLO O=[N+]([O-])c1ccc(Cn2c3ccccc3[nH+]c2NCCO)c(F)c1 ZINC000356881432 446092309 /nfs/dbraw/zinc/09/23/09/446092309.db2.gz WNFRNLRTSOOUED-UHFFFAOYSA-N 1 2 330.319 2.536 20 5 EDBDLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000366416884 446200726 /nfs/dbraw/zinc/20/07/26/446200726.db2.gz UVVDMKUZJFNBFF-LBPRGKRZSA-N 1 2 348.403 1.199 20 5 EDBDLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000366416884 446200728 /nfs/dbraw/zinc/20/07/28/446200728.db2.gz UVVDMKUZJFNBFF-LBPRGKRZSA-N 1 2 348.403 1.199 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000359410162 446207191 /nfs/dbraw/zinc/20/71/91/446207191.db2.gz FBUXTDXCHCSPGY-LLVKDONJSA-N 1 2 344.327 1.392 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000359410162 446207193 /nfs/dbraw/zinc/20/71/93/446207193.db2.gz FBUXTDXCHCSPGY-LLVKDONJSA-N 1 2 344.327 1.392 20 5 EDBDLO Cc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000354447940 446211324 /nfs/dbraw/zinc/21/13/24/446211324.db2.gz OTYSRDHSEHTABB-UHFFFAOYSA-N 1 2 329.360 1.584 20 5 EDBDLO Cc1nnc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000366748223 446333632 /nfs/dbraw/zinc/33/36/32/446333632.db2.gz XENLCLVKRBEZJL-CQSZACIVSA-N 1 2 334.332 1.739 20 5 EDBDLO Cc1nnc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000366748223 446333634 /nfs/dbraw/zinc/33/36/34/446333634.db2.gz XENLCLVKRBEZJL-CQSZACIVSA-N 1 2 334.332 1.739 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCn2cc[nH+]c2)c1F ZINC000411165832 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O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444689516 447120467 /nfs/dbraw/zinc/12/04/67/447120467.db2.gz NTRBFGIHEIJAIL-NSHDSACASA-N 1 2 344.375 1.507 20 5 EDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444689516 447120473 /nfs/dbraw/zinc/12/04/73/447120473.db2.gz NTRBFGIHEIJAIL-NSHDSACASA-N 1 2 344.375 1.507 20 5 EDBDLO O=C(C[N@@H+]1CCCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000375830200 447085686 /nfs/dbraw/zinc/08/56/86/447085686.db2.gz JIEKFTFRNSSXIU-CYBMUJFWSA-N 1 2 344.375 1.680 20 5 EDBDLO O=C(C[N@H+]1CCCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000375830200 447085693 /nfs/dbraw/zinc/08/56/93/447085693.db2.gz JIEKFTFRNSSXIU-CYBMUJFWSA-N 1 2 344.375 1.680 20 5 EDBDLO CCOCCOC[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413259107 447098749 /nfs/dbraw/zinc/09/87/49/447098749.db2.gz HSCZKQSYQNQJAA-AWEZNQCLSA-N 1 2 335.360 1.969 20 5 EDBDLO Cc1cc(NC[C@]2(C)CCC(=O)N2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413347743 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336.392 1.904 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2NC)CCO1 ZINC000427772887 447646766 /nfs/dbraw/zinc/64/67/66/447646766.db2.gz XAFWHYVIPUYJPT-LBPRGKRZSA-N 1 2 336.392 1.477 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2NC)CCO1 ZINC000427772887 447646772 /nfs/dbraw/zinc/64/67/72/447646772.db2.gz XAFWHYVIPUYJPT-LBPRGKRZSA-N 1 2 336.392 1.477 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000451138565 447698376 /nfs/dbraw/zinc/69/83/76/447698376.db2.gz ZYULMIIGUZCMRJ-UHFFFAOYSA-N 1 2 328.756 1.382 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000451138565 447698378 /nfs/dbraw/zinc/69/83/78/447698378.db2.gz ZYULMIIGUZCMRJ-UHFFFAOYSA-N 1 2 328.756 1.382 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523056645 447870441 /nfs/dbraw/zinc/87/04/41/447870441.db2.gz PSRYSHGMBRPQJG-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 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ZINC000579258407 448756738 /nfs/dbraw/zinc/75/67/38/448756738.db2.gz MDKAVYBWIKAIJF-CYBMUJFWSA-N 1 2 338.408 1.934 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000589558888 449033727 /nfs/dbraw/zinc/03/37/27/449033727.db2.gz IAMSZUVUXXYFOR-JTQLQIEISA-N 1 2 330.348 1.482 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000597844714 449119339 /nfs/dbraw/zinc/11/93/39/449119339.db2.gz BCOBEYVJHCAXEA-OAHLLOKOSA-N 1 2 346.387 1.747 20 5 EDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](CCCF)CC1 ZINC000600072293 449171964 /nfs/dbraw/zinc/17/19/64/449171964.db2.gz QJPZZTGYFMUUFS-UHFFFAOYSA-N 1 2 335.339 1.589 20 5 EDBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2[nH]c[nH+]c2C1 ZINC000590377976 449139807 /nfs/dbraw/zinc/13/98/07/449139807.db2.gz AOIPFFSTQAYAPV-UHFFFAOYSA-N 1 2 338.327 1.702 20 5 EDBDLO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000590377976 449139811 /nfs/dbraw/zinc/13/98/11/449139811.db2.gz AOIPFFSTQAYAPV-UHFFFAOYSA-N 1 2 338.327 1.702 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597995004 449179474 /nfs/dbraw/zinc/17/94/74/449179474.db2.gz DBVUHXGWLSMPEX-NWDGAFQWSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597995004 449179481 /nfs/dbraw/zinc/17/94/81/449179481.db2.gz DBVUHXGWLSMPEX-NWDGAFQWSA-N 1 2 337.376 1.442 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(CN3CCc4[nH+]c[nH]c4C3)n2)c1 ZINC000590600316 449214080 /nfs/dbraw/zinc/21/40/80/449214080.db2.gz OAKIMIZTTWSBCX-UHFFFAOYSA-N 1 2 326.316 1.926 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597999886 449185420 /nfs/dbraw/zinc/18/54/20/449185420.db2.gz SRDORTMYLIUICZ-WDEREUQCSA-N 1 2 339.396 1.280 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597999886 449185423 /nfs/dbraw/zinc/18/54/23/449185423.db2.gz SRDORTMYLIUICZ-WDEREUQCSA-N 1 2 339.396 1.280 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597999240 449185471 /nfs/dbraw/zinc/18/54/71/449185471.db2.gz RKVYLQVOVKPLLI-OLZOCXBDSA-N 1 2 337.376 1.199 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597999240 449185479 /nfs/dbraw/zinc/18/54/79/449185479.db2.gz RKVYLQVOVKPLLI-OLZOCXBDSA-N 1 2 337.376 1.199 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596074359 449350093 /nfs/dbraw/zinc/35/00/93/449350093.db2.gz UGAKKGHSXSVLBJ-UHFFFAOYSA-N 1 2 341.799 1.291 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596074359 449350097 /nfs/dbraw/zinc/35/00/97/449350097.db2.gz UGAKKGHSXSVLBJ-UHFFFAOYSA-N 1 2 341.799 1.291 20 5 EDBDLO Nc1c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cccc1[N+](=O)[O-] ZINC000598342567 449356731 /nfs/dbraw/zinc/35/67/31/449356731.db2.gz KZKBSDUYJGAIIF-UHFFFAOYSA-N 1 2 348.403 1.361 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@@H]2COC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590972399 449364883 /nfs/dbraw/zinc/36/48/83/449364883.db2.gz QAKYTSYEODEQTK-CJNGLKHVSA-N 1 2 331.372 1.595 20 5 EDBDLO O=C(C[N@H+]1CCC[C@@H]2COC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590972399 449364890 /nfs/dbraw/zinc/36/48/90/449364890.db2.gz QAKYTSYEODEQTK-CJNGLKHVSA-N 1 2 331.372 1.595 20 5 EDBDLO O=C1[C@@H]([N@@H+]2CCOCC3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611815472 449433330 /nfs/dbraw/zinc/43/33/30/449433330.db2.gz GTXMQFOYZWQFQU-HNNXBMFYSA-N 1 2 331.372 1.813 20 5 EDBDLO O=C1[C@@H]([N@H+]2CCOCC3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611815472 449433335 /nfs/dbraw/zinc/43/33/35/449433335.db2.gz GTXMQFOYZWQFQU-HNNXBMFYSA-N 1 2 331.372 1.813 20 5 EDBDLO COC(=O)c1ccnc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000598590114 449479806 /nfs/dbraw/zinc/47/98/06/449479806.db2.gz KJGIYYKHINXERR-UHFFFAOYSA-N 1 2 331.332 2.086 20 5 EDBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400542 449494147 /nfs/dbraw/zinc/49/41/47/449494147.db2.gz FSEXUXWYVSPEDM-UTUOFQBUSA-N 1 2 337.376 1.528 20 5 EDBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400542 449494151 /nfs/dbraw/zinc/49/41/51/449494151.db2.gz FSEXUXWYVSPEDM-UTUOFQBUSA-N 1 2 337.376 1.528 20 5 EDBDLO COC(=O)c1ccnc(NCCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000598636494 449511449 /nfs/dbraw/zinc/51/14/49/449511449.db2.gz YMOKYUDUXLHVTH-UHFFFAOYSA-N 1 2 330.344 2.525 20 5 EDBDLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596626745 449576982 /nfs/dbraw/zinc/57/69/82/449576982.db2.gz QPMWNWFOJWVVLC-CQSZACIVSA-N 1 2 334.376 1.842 20 5 EDBDLO CC[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000598908219 449641925 /nfs/dbraw/zinc/64/19/25/449641925.db2.gz QXAJBSSLCDWESZ-GFCCVEGCSA-N 1 2 346.347 1.707 20 5 EDBDLO C[N@H+](CCOCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602659084 449736178 /nfs/dbraw/zinc/73/61/78/449736178.db2.gz MXHUNRVZAVXHPB-UHFFFAOYSA-N 1 2 339.211 1.860 20 5 EDBDLO C[N@@H+](CCOCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602659084 449736184 /nfs/dbraw/zinc/73/61/84/449736184.db2.gz MXHUNRVZAVXHPB-UHFFFAOYSA-N 1 2 339.211 1.860 20 5 EDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCN(c2nccnn2)CC1 ZINC000599117379 449746800 /nfs/dbraw/zinc/74/68/00/449746800.db2.gz HWUZQLGPBATVJQ-UHFFFAOYSA-N 1 2 337.343 1.655 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597581770 450125164 /nfs/dbraw/zinc/12/51/64/450125164.db2.gz RBNKPMLWDYSIOQ-GXSJLCMTSA-N 1 2 325.344 1.139 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597581770 450125167 /nfs/dbraw/zinc/12/51/67/450125167.db2.gz RBNKPMLWDYSIOQ-GXSJLCMTSA-N 1 2 325.344 1.139 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318386 450143414 /nfs/dbraw/zinc/14/34/14/450143414.db2.gz WRJDPDMODFAGRV-UHFFFAOYSA-N 1 2 335.360 1.797 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318386 450143417 /nfs/dbraw/zinc/14/34/17/450143417.db2.gz WRJDPDMODFAGRV-UHFFFAOYSA-N 1 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HYHGRWDWHOGSQO-GHMZBOCLSA-N 1 2 330.406 1.857 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000042510767 441745234 /nfs/dbraw/zinc/74/52/34/441745234.db2.gz AIAPQCZLDCPYRF-VXGBXAGGSA-N 1 2 345.359 1.115 20 5 EDBDLO C[NH+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000144750638 441884903 /nfs/dbraw/zinc/88/49/03/441884903.db2.gz GABWKIHOYHYLGX-UHFFFAOYSA-N 1 2 342.204 1.742 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450289435 447443496 /nfs/dbraw/zinc/44/34/96/447443496.db2.gz VGYVOBYTZGHGCI-XHDPSFHLSA-N 1 2 330.344 1.623 20 5 EDBDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000175091664 442003713 /nfs/dbraw/zinc/00/37/13/442003713.db2.gz LQBPTHBZJIZNPX-CQSZACIVSA-N 1 2 334.420 1.972 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000152035884 442156951 /nfs/dbraw/zinc/15/69/51/442156951.db2.gz QVNFTGFPMCADKR-ACYLFWIKSA-N 1 2 335.335 1.289 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000152035884 442156952 /nfs/dbraw/zinc/15/69/52/442156952.db2.gz QVNFTGFPMCADKR-ACYLFWIKSA-N 1 2 335.335 1.289 20 5 EDBDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000170687255 442248748 /nfs/dbraw/zinc/24/87/48/442248748.db2.gz LHFLFBTWJIZREG-UHFFFAOYSA-N 1 2 342.355 1.241 20 5 EDBDLO C[C@@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)N(C)C ZINC000130375662 442345311 /nfs/dbraw/zinc/34/53/11/442345311.db2.gz HWXOPXVZESOZOF-GFCCVEGCSA-N 1 2 348.403 1.152 20 5 EDBDLO C[C@@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)N(C)C ZINC000130375662 442345313 /nfs/dbraw/zinc/34/53/13/442345313.db2.gz HWXOPXVZESOZOF-GFCCVEGCSA-N 1 2 348.403 1.152 20 5 EDBDLO Nc1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000178198218 442414775 /nfs/dbraw/zinc/41/47/75/442414775.db2.gz OJMNIOCWDIZNMC-CYBMUJFWSA-N 1 2 348.403 1.504 20 5 EDBDLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157492625 442588391 /nfs/dbraw/zinc/58/83/91/442588391.db2.gz USTCKTNULXKKFP-GFCCVEGCSA-N 1 2 336.392 1.626 20 5 EDBDLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157492625 442588394 /nfs/dbraw/zinc/58/83/94/442588394.db2.gz USTCKTNULXKKFP-GFCCVEGCSA-N 1 2 336.392 1.626 20 5 EDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000157942569 442630754 /nfs/dbraw/zinc/63/07/54/442630754.db2.gz LTQPKYHHOXZAQT-UHFFFAOYSA-N 1 2 339.302 1.640 20 5 EDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000157942569 442630757 /nfs/dbraw/zinc/63/07/57/442630757.db2.gz LTQPKYHHOXZAQT-UHFFFAOYSA-N 1 2 339.302 1.640 20 5 EDBDLO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(N)=O)C1 ZINC000187422582 442676171 /nfs/dbraw/zinc/67/61/71/442676171.db2.gz APULXAGVLIGGPV-GWCFXTLKSA-N 1 2 345.359 1.731 20 5 EDBDLO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(N)=O)C1 ZINC000187422582 442676173 /nfs/dbraw/zinc/67/61/73/442676173.db2.gz APULXAGVLIGGPV-GWCFXTLKSA-N 1 2 345.359 1.731 20 5 EDBDLO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181984611 442725545 /nfs/dbraw/zinc/72/55/45/442725545.db2.gz GURUXAMCNHGCAK-ZDUSSCGKSA-N 1 2 337.376 1.483 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193971313 442822533 /nfs/dbraw/zinc/82/25/33/442822533.db2.gz CPGQAKUHRIACJT-NSHDSACASA-N 1 2 334.376 1.612 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CCO)CC(F)F ZINC000194378204 442886255 /nfs/dbraw/zinc/88/62/55/442886255.db2.gz NPFCUJJUCVUEBJ-UHFFFAOYSA-N 1 2 340.286 1.480 20 5 EDBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)COCc3ccco3)C2)cc1 ZINC000189462800 442959706 /nfs/dbraw/zinc/95/97/06/442959706.db2.gz MBQUIELMPAGUDB-AWEZNQCLSA-N 1 2 348.355 1.829 20 5 EDBDLO C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000265872593 442953148 /nfs/dbraw/zinc/95/31/48/442953148.db2.gz JMBADBIHJJFDPA-VXGBXAGGSA-N 1 2 332.360 1.917 20 5 EDBDLO C[C@H]1C[NH+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000269149831 443213742 /nfs/dbraw/zinc/21/37/42/443213742.db2.gz RQMIYJIJOBRLIW-RYUDHWBXSA-N 1 2 337.376 1.530 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188139 443255659 /nfs/dbraw/zinc/25/56/59/443255659.db2.gz BGOGYOIFJCHQFI-UXIGCNINSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188139 443255664 /nfs/dbraw/zinc/25/56/64/443255664.db2.gz BGOGYOIFJCHQFI-UXIGCNINSA-N 1 2 347.371 1.467 20 5 EDBDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266948905 443300423 /nfs/dbraw/zinc/30/04/23/443300423.db2.gz SSGREJZIJBHTNT-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266948905 443300425 /nfs/dbraw/zinc/30/04/25/443300425.db2.gz SSGREJZIJBHTNT-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267071724 443332058 /nfs/dbraw/zinc/33/20/58/443332058.db2.gz VVYSOYJCZGDFGE-ZDUSSCGKSA-N 1 2 345.396 1.638 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267071724 443332060 /nfs/dbraw/zinc/33/20/60/443332060.db2.gz VVYSOYJCZGDFGE-ZDUSSCGKSA-N 1 2 345.396 1.638 20 5 EDBDLO CCC[C@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000264642845 443359407 /nfs/dbraw/zinc/35/94/07/443359407.db2.gz VSCOYRUKQQZWJW-CJNGLKHVSA-N 1 2 340.376 1.656 20 5 EDBDLO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000278740541 443420699 /nfs/dbraw/zinc/42/06/99/443420699.db2.gz SWASVUKDUHNRPJ-JSGCOSHPSA-N 1 2 340.376 1.070 20 5 EDBDLO CNC(=O)c1ccc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000267513239 443481933 /nfs/dbraw/zinc/48/19/33/443481933.db2.gz CLQKOAFTFIUXDT-MLGOLLRUSA-N 1 2 348.403 1.111 20 5 EDBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000265104457 443534098 /nfs/dbraw/zinc/53/40/98/443534098.db2.gz FYFCRTWPICYLSA-LLVKDONJSA-N 1 2 329.364 1.245 20 5 EDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](C)[NH+]1CCOCC1 ZINC000279521055 443599354 /nfs/dbraw/zinc/59/93/54/443599354.db2.gz VDGMAFDSSIDCQR-NXEZZACHSA-N 1 2 340.355 1.155 20 5 EDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283379484 443617685 /nfs/dbraw/zinc/61/76/85/443617685.db2.gz SWKUFYVXKCTPJF-MNDBLIDSSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283379484 443617687 /nfs/dbraw/zinc/61/76/87/443617687.db2.gz SWKUFYVXKCTPJF-MNDBLIDSSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@H](O)[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447803761 320145085 /nfs/dbraw/zinc/14/50/85/320145085.db2.gz ULRHVMYSSQDMGR-DZGCQCFKSA-N 1 2 335.404 1.634 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c2c(c1)COCO2 ZINC000449476669 320192280 /nfs/dbraw/zinc/19/22/80/320192280.db2.gz VVJZQGQBEFEHCP-CQSZACIVSA-N 1 2 330.287 1.663 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c2c(c1)COCO2 ZINC000449476669 320192282 /nfs/dbraw/zinc/19/22/82/320192282.db2.gz VVJZQGQBEFEHCP-CQSZACIVSA-N 1 2 330.287 1.663 20 5 EDBDLO Cc1sc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000276564234 443748441 /nfs/dbraw/zinc/74/84/41/443748441.db2.gz GMLQOOUVHSTIAX-LBPRGKRZSA-N 1 2 349.416 1.827 20 5 EDBDLO Cc1c(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000283886851 443755411 /nfs/dbraw/zinc/75/54/11/443755411.db2.gz CNISFKJWWRGJPZ-HOTGVXAUSA-N 1 2 333.388 1.377 20 5 EDBDLO Cc1c(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000283886851 443755417 /nfs/dbraw/zinc/75/54/17/443755417.db2.gz CNISFKJWWRGJPZ-HOTGVXAUSA-N 1 2 333.388 1.377 20 5 EDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000288446875 443884873 /nfs/dbraw/zinc/88/48/73/443884873.db2.gz SSTFAZGTAKTADI-UHFFFAOYSA-N 1 2 335.404 1.707 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000298781314 443866651 /nfs/dbraw/zinc/86/66/51/443866651.db2.gz XSOJOOWHWWVIKV-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000293244959 443960852 /nfs/dbraw/zinc/96/08/52/443960852.db2.gz SXODHYLGEQEVSP-ZDUSSCGKSA-N 1 2 347.371 1.306 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000285391029 443967841 /nfs/dbraw/zinc/96/78/41/443967841.db2.gz SLDRZQGCTRRUFV-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000285391029 443967845 /nfs/dbraw/zinc/96/78/45/443967845.db2.gz SLDRZQGCTRRUFV-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000281684730 443977850 /nfs/dbraw/zinc/97/78/50/443977850.db2.gz FOGGXCDROGKHJS-BSEYFRJRSA-N 1 2 348.428 1.918 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000281788963 444006074 /nfs/dbraw/zinc/00/60/74/444006074.db2.gz HVFCLNOSLWFTCA-SNVBAGLBSA-N 1 2 345.363 1.086 20 5 EDBDLO O=c1nc([C@@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[nH][nH]1 ZINC000289043245 444040865 /nfs/dbraw/zinc/04/08/65/444040865.db2.gz BPUBZFRCMSAGOS-LBPRGKRZSA-N 1 2 333.348 1.612 20 5 EDBDLO O=c1nc([C@@H]2CCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])[nH][nH]1 ZINC000289043245 444040872 /nfs/dbraw/zinc/04/08/72/444040872.db2.gz BPUBZFRCMSAGOS-LBPRGKRZSA-N 1 2 333.348 1.612 20 5 EDBDLO COC[C@@](C)(O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552058031 320922816 /nfs/dbraw/zinc/92/28/16/320922816.db2.gz RYIGZYZLJNGMOX-HOCLYGCPSA-N 1 2 334.376 1.405 20 5 EDBDLO COC[C@](C)(O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552058114 320922862 /nfs/dbraw/zinc/92/28/62/320922862.db2.gz WFZSGPBXAXHDJC-GDBMZVCRSA-N 1 2 334.376 1.405 20 5 EDBDLO COC[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568717696 321302912 /nfs/dbraw/zinc/30/29/12/321302912.db2.gz WKPLIDJDUAEGHR-HNNXBMFYSA-N 1 2 335.404 1.900 20 5 EDBDLO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301219951 444155706 /nfs/dbraw/zinc/15/57/06/444155706.db2.gz ARVISQZYNBVTSW-VXGBXAGGSA-N 1 2 336.392 1.476 20 5 EDBDLO CNC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301219951 444155710 /nfs/dbraw/zinc/15/57/10/444155710.db2.gz ARVISQZYNBVTSW-VXGBXAGGSA-N 1 2 336.392 1.476 20 5 EDBDLO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000302472318 444214112 /nfs/dbraw/zinc/21/41/12/444214112.db2.gz WFEZHLJZJNRTIH-JTQLQIEISA-N 1 2 344.209 1.860 20 5 EDBDLO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000302472318 444214113 /nfs/dbraw/zinc/21/41/13/444214113.db2.gz WFEZHLJZJNRTIH-JTQLQIEISA-N 1 2 344.209 1.860 20 5 EDBDLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000305442042 444269924 /nfs/dbraw/zinc/26/99/24/444269924.db2.gz 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EDBDLO O=[N+]([O-])c1cccc(OCCN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000599440014 449977556 /nfs/dbraw/zinc/97/75/56/449977556.db2.gz COAVZFOSZBCLEA-UHFFFAOYSA-N 1 2 331.376 1.515 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000601481493 450004075 /nfs/dbraw/zinc/00/40/75/450004075.db2.gz GVNHLKCGTPRXSV-CYBMUJFWSA-N 1 2 347.350 1.596 20 5 EDBDLO Cc1nn(CCC(=O)N2CC(Oc3cc[nH+]cc3)C2)c(C)c1[N+](=O)[O-] ZINC000609354495 450017921 /nfs/dbraw/zinc/01/79/21/450017921.db2.gz QUFBOIMBNZYBHY-UHFFFAOYSA-N 1 2 345.359 1.483 20 5 EDBDLO Cn1c[nH+]c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000595377054 450091162 /nfs/dbraw/zinc/09/11/62/450091162.db2.gz MPRKHQBDBHFSPP-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595382888 450096811 /nfs/dbraw/zinc/09/68/11/450096811.db2.gz KFMWVMJLLORISI-LLVKDONJSA-N 1 2 338.389 1.985 20 5 EDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684429 450169184 /nfs/dbraw/zinc/16/91/84/450169184.db2.gz QJINLWKPTUUTGK-OAHLLOKOSA-N 1 2 333.388 1.463 20 5 EDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684429 450169190 /nfs/dbraw/zinc/16/91/90/450169190.db2.gz QJINLWKPTUUTGK-OAHLLOKOSA-N 1 2 333.388 1.463 20 5 EDBDLO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423258 450132000 /nfs/dbraw/zinc/13/20/00/450132000.db2.gz KSCBAAQKSIQBPU-HFBAOOFYSA-N 1 2 330.388 1.795 20 5 EDBDLO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423258 450132004 /nfs/dbraw/zinc/13/20/04/450132004.db2.gz KSCBAAQKSIQBPU-HFBAOOFYSA-N 1 2 330.388 1.795 20 5 EDBDLO COc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000615715326 450208820 /nfs/dbraw/zinc/20/88/20/450208820.db2.gz KPNXPKZEQGFORC-GFCCVEGCSA-N 1 2 330.344 1.679 20 5 EDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000613482866 450196595 /nfs/dbraw/zinc/19/65/95/450196595.db2.gz ATJWXVLOOJYGMG-UHFFFAOYSA-N 1 2 342.402 1.674 20 5 EDBDLO CSc1cccc(C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000601733566 450197438 /nfs/dbraw/zinc/19/74/38/450197438.db2.gz GCMFLSTZJHFWOL-LLVKDONJSA-N 1 2 339.417 1.719 20 5 EDBDLO CSc1cccc(C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000601733566 450197444 /nfs/dbraw/zinc/19/74/44/450197444.db2.gz GCMFLSTZJHFWOL-LLVKDONJSA-N 1 2 339.417 1.719 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000603664314 450339547 /nfs/dbraw/zinc/33/95/47/450339547.db2.gz CQFXWNJZBUJJAK-UHFFFAOYSA-N 1 2 329.360 1.727 20 5 EDBDLO CC(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157830491 526632262 /nfs/dbraw/zinc/63/22/62/526632262.db2.gz SHIWSFKCAHWSMZ-UHFFFAOYSA-N 1 2 343.387 1.659 20 5 EDBDLO CC1(CO)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186886680 527999853 /nfs/dbraw/zinc/99/98/53/527999853.db2.gz DKEGPBCMRQEAPO-UHFFFAOYSA-N 1 2 342.417 1.463 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000345728269 535950152 /nfs/dbraw/zinc/95/01/52/535950152.db2.gz VMOYYMSDYJPANX-LBPRGKRZSA-N 1 2 332.364 1.591 20 5 EDBDLO Cn1cc(C[NH+]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)cn1 ZINC000729931245 578603086 /nfs/dbraw/zinc/60/30/86/578603086.db2.gz LNTQCFRHASPSIF-UHFFFAOYSA-N 1 2 333.367 1.785 20 5 EDBDLO Cn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C2 ZINC000731304472 578673637 /nfs/dbraw/zinc/67/36/37/578673637.db2.gz QCZDDWFBDOJYPD-UHFFFAOYSA-N 1 2 341.371 1.783 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491224 578887958 /nfs/dbraw/zinc/88/79/58/578887958.db2.gz GEIDMAXGFPQSMZ-UHFFFAOYSA-N 1 2 340.811 1.502 20 5 EDBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000747959965 579664540 /nfs/dbraw/zinc/66/45/40/579664540.db2.gz WFRIJBZDMMTZMJ-UHFFFAOYSA-N 1 2 328.332 1.572 20 5 EDBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000747959965 579664542 /nfs/dbraw/zinc/66/45/42/579664542.db2.gz WFRIJBZDMMTZMJ-UHFFFAOYSA-N 1 2 328.332 1.572 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)S1 ZINC000749402810 579725165 /nfs/dbraw/zinc/72/51/65/579725165.db2.gz HZCKOURUZPKAIN-SNVBAGLBSA-N 1 2 349.416 1.426 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749798431 579740173 /nfs/dbraw/zinc/74/01/73/579740173.db2.gz HQMBLSBGLDWBBY-NWDGAFQWSA-N 1 2 345.355 1.507 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749798431 579740176 /nfs/dbraw/zinc/74/01/76/579740176.db2.gz HQMBLSBGLDWBBY-NWDGAFQWSA-N 1 2 345.355 1.507 20 5 EDBDLO COC(=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000750072827 579751075 /nfs/dbraw/zinc/75/10/75/579751075.db2.gz RGGAJCYWLWYFLI-OAHLLOKOSA-N 1 2 338.360 1.282 20 5 EDBDLO COC(=O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000750072827 579751077 /nfs/dbraw/zinc/75/10/77/579751077.db2.gz RGGAJCYWLWYFLI-OAHLLOKOSA-N 1 2 338.360 1.282 20 5 EDBDLO C/C(=C/C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752013825 579833541 /nfs/dbraw/zinc/83/35/41/579833541.db2.gz QWZRDNILHCXKRO-YBEMTRGBSA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C/C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752013825 579833543 /nfs/dbraw/zinc/83/35/43/579833543.db2.gz QWZRDNILHCXKRO-YBEMTRGBSA-N 1 2 333.388 1.835 20 5 EDBDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000754220088 579898699 /nfs/dbraw/zinc/89/86/99/579898699.db2.gz YCTMKJDAWWSTKH-CYBMUJFWSA-N 1 2 333.344 1.584 20 5 EDBDLO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000754220088 579898700 /nfs/dbraw/zinc/89/87/00/579898700.db2.gz YCTMKJDAWWSTKH-CYBMUJFWSA-N 1 2 333.344 1.584 20 5 EDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000768853397 580222586 /nfs/dbraw/zinc/22/25/86/580222586.db2.gz MBZRGYZOCXOSCQ-UHFFFAOYSA-N 1 2 342.402 1.948 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000772300584 580307057 /nfs/dbraw/zinc/30/70/57/580307057.db2.gz PVCBRFSDZIYSTH-HSZRJFAPSA-N 1 2 339.417 1.040 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000774693818 580370790 /nfs/dbraw/zinc/37/07/90/580370790.db2.gz YGOVMQXYMWGVQS-STQMWFEESA-N 1 2 340.380 1.408 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000774693818 580370791 /nfs/dbraw/zinc/37/07/91/580370791.db2.gz YGOVMQXYMWGVQS-STQMWFEESA-N 1 2 340.380 1.408 20 5 EDBDLO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000776585715 580422375 /nfs/dbraw/zinc/42/23/75/580422375.db2.gz ZLYYPQWFCBCSCC-IUODEOHRSA-N 1 2 344.433 1.773 20 5 EDBDLO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000776585715 580422376 /nfs/dbraw/zinc/42/23/76/580422376.db2.gz ZLYYPQWFCBCSCC-IUODEOHRSA-N 1 2 344.433 1.773 20 5 EDBDLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593715 580423237 /nfs/dbraw/zinc/42/32/37/580423237.db2.gz MOCBFWQYNBNDBJ-CQSZACIVSA-N 1 2 330.406 1.383 20 5 EDBDLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593715 580423238 /nfs/dbraw/zinc/42/32/38/580423238.db2.gz MOCBFWQYNBNDBJ-CQSZACIVSA-N 1 2 330.406 1.383 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000776594095 580423254 /nfs/dbraw/zinc/42/32/54/580423254.db2.gz ULBWAHZZNYYSCE-SFHVURJKSA-N 1 2 342.399 1.841 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000776594095 580423255 /nfs/dbraw/zinc/42/32/55/580423255.db2.gz ULBWAHZZNYYSCE-SFHVURJKSA-N 1 2 342.399 1.841 20 5 EDBDLO COCC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000782979919 580590271 /nfs/dbraw/zinc/59/02/71/580590271.db2.gz ZIVXFOGVEOFUQG-OAHLLOKOSA-N 1 2 347.375 1.548 20 5 EDBDLO COCC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000782979919 580590272 /nfs/dbraw/zinc/59/02/72/580590272.db2.gz ZIVXFOGVEOFUQG-OAHLLOKOSA-N 1 2 347.375 1.548 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000787237379 580690293 /nfs/dbraw/zinc/69/02/93/580690293.db2.gz FWVKENCWYVTTKD-GXSJLCMTSA-N 1 2 347.327 1.032 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000787237379 580690294 /nfs/dbraw/zinc/69/02/94/580690294.db2.gz FWVKENCWYVTTKD-GXSJLCMTSA-N 1 2 347.327 1.032 20 5 EDBDLO COC(=O)[C@@H](C)C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794625798 580900156 /nfs/dbraw/zinc/90/01/56/580900156.db2.gz AOZKJGHBRGWRMX-JTQLQIEISA-N 1 2 349.343 1.734 20 5 EDBDLO COC(=O)[C@@H](C)C[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000794625798 580900157 /nfs/dbraw/zinc/90/01/57/580900157.db2.gz AOZKJGHBRGWRMX-JTQLQIEISA-N 1 2 349.343 1.734 20 5 EDBDLO C[C@@H]1C[N@H+](CCOC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800123563 581043884 /nfs/dbraw/zinc/04/38/84/581043884.db2.gz XIBMJBDISBRATP-LLVKDONJSA-N 1 2 333.344 1.954 20 5 EDBDLO 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ZINC000295660554 303248920 /nfs/dbraw/zinc/24/89/20/303248920.db2.gz IFZDDXDLQWJZFE-UHFFFAOYSA-N 1 2 338.364 1.128 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1Cl ZINC000456212165 447330027 /nfs/dbraw/zinc/33/00/27/447330027.db2.gz GQHNRIDTIVGILP-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1Cl ZINC000456212165 447330033 /nfs/dbraw/zinc/33/00/33/447330033.db2.gz GQHNRIDTIVGILP-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO CN(CCCn1cc[nH+]c1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301695882 303690173 /nfs/dbraw/zinc/69/01/73/303690173.db2.gz MVKKIABUYIESKV-UHFFFAOYSA-N 1 2 328.332 1.967 20 5 EDBDLO CCOc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427999492 305003353 /nfs/dbraw/zinc/00/33/53/305003353.db2.gz ZPMIRQQDYVEERV-LBPRGKRZSA-N 1 2 330.344 1.935 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429197813 305025548 /nfs/dbraw/zinc/02/55/48/305025548.db2.gz 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1.589 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174947 441562952 /nfs/dbraw/zinc/56/29/52/441562952.db2.gz FRCWJCXAXKORJI-JTQLQIEISA-N 1 2 333.435 1.418 20 5 EDBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174947 441562956 /nfs/dbraw/zinc/56/29/56/441562956.db2.gz FRCWJCXAXKORJI-JTQLQIEISA-N 1 2 333.435 1.418 20 5 EDBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000067229135 441619104 /nfs/dbraw/zinc/61/91/04/441619104.db2.gz YUXJWVRYZXQKOZ-UHFFFAOYSA-N 1 2 346.309 1.482 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000076341497 441633746 /nfs/dbraw/zinc/63/37/46/441633746.db2.gz HGRNIPIZHBNRBA-UHFFFAOYSA-N 1 2 343.405 1.208 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000076341497 441633749 /nfs/dbraw/zinc/63/37/49/441633749.db2.gz HGRNIPIZHBNRBA-UHFFFAOYSA-N 1 2 343.405 1.208 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000041934491 441686459 /nfs/dbraw/zinc/68/64/59/441686459.db2.gz WCLBJRHWXUILQW-HNNXBMFYSA-N 1 2 336.392 1.385 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)nc1 ZINC000173472259 441762538 /nfs/dbraw/zinc/76/25/38/441762538.db2.gz LCMCYLYSSIDPOX-GFCCVEGCSA-N 1 2 339.359 1.719 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cn4cccnc4n3)C2)nc1 ZINC000173472259 441762542 /nfs/dbraw/zinc/76/25/42/441762542.db2.gz LCMCYLYSSIDPOX-GFCCVEGCSA-N 1 2 339.359 1.719 20 5 EDBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173590107 441801202 /nfs/dbraw/zinc/80/12/02/441801202.db2.gz OGHKTRHMEUQAIL-QGZVFWFLSA-N 1 2 346.431 1.376 20 5 EDBDLO Cc1cccc(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000160620322 441903382 /nfs/dbraw/zinc/90/33/82/441903382.db2.gz TWAQZAHKWNBBBR-UHFFFAOYSA-N 1 2 330.348 1.420 20 5 EDBDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174856236 441975563 /nfs/dbraw/zinc/97/55/63/441975563.db2.gz YBPVPLPAKFPNPG-UHFFFAOYSA-N 1 2 327.768 1.539 20 5 EDBDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174856236 441975566 /nfs/dbraw/zinc/97/55/66/441975566.db2.gz YBPVPLPAKFPNPG-UHFFFAOYSA-N 1 2 327.768 1.539 20 5 EDBDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000175010120 441993726 /nfs/dbraw/zinc/99/37/26/441993726.db2.gz VNSHVIVCDLKWSO-UHFFFAOYSA-N 1 2 348.403 1.690 20 5 EDBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000162848497 442126947 /nfs/dbraw/zinc/12/69/47/442126947.db2.gz FUSNMQIRVZWETL-UHFFFAOYSA-N 1 2 326.316 1.981 20 5 EDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170928785 442290876 /nfs/dbraw/zinc/29/08/76/442290876.db2.gz KHEPCQFGMUGFLO-LBPRGKRZSA-N 1 2 331.332 1.355 20 5 EDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170928785 442290878 /nfs/dbraw/zinc/29/08/78/442290878.db2.gz KHEPCQFGMUGFLO-LBPRGKRZSA-N 1 2 331.332 1.355 20 5 EDBDLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 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1.904 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1=O ZINC000337024188 444905382 /nfs/dbraw/zinc/90/53/82/444905382.db2.gz UJPCVHHHHXEGIN-SECBINFHSA-N 1 2 336.377 1.388 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000341692379 444951255 /nfs/dbraw/zinc/95/12/55/444951255.db2.gz QZTHFGNWHQDSOK-OAHLLOKOSA-N 1 2 330.344 1.975 20 5 EDBDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000330397275 444965189 /nfs/dbraw/zinc/96/51/89/444965189.db2.gz GPXDFZHAEQGLRG-SSVBQZQLSA-N 1 2 339.417 1.765 20 5 EDBDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000330397275 444965192 /nfs/dbraw/zinc/96/51/92/444965192.db2.gz GPXDFZHAEQGLRG-SSVBQZQLSA-N 1 2 339.417 1.765 20 5 EDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000344520509 445030400 /nfs/dbraw/zinc/03/04/00/445030400.db2.gz BKCBSYMMGIRPRF-CMPLNLGQSA-N 1 2 349.395 1.229 20 5 EDBDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099312 445032858 /nfs/dbraw/zinc/03/28/58/445032858.db2.gz KWTBBGVZEUORFT-SECBINFHSA-N 1 2 347.293 1.801 20 5 EDBDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099312 445032859 /nfs/dbraw/zinc/03/28/59/445032859.db2.gz KWTBBGVZEUORFT-SECBINFHSA-N 1 2 347.293 1.801 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000330649689 445078687 /nfs/dbraw/zinc/07/86/87/445078687.db2.gz IYJJYVCXQQQUDY-TVQRCGJNSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000330649689 445078689 /nfs/dbraw/zinc/07/86/89/445078689.db2.gz IYJJYVCXQQQUDY-TVQRCGJNSA-N 1 2 327.768 1.889 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000339121319 445041300 /nfs/dbraw/zinc/04/13/00/445041300.db2.gz ZYLVZYULTOBRJL-GOEBONIOSA-N 1 2 347.375 1.658 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000343465269 445227644 /nfs/dbraw/zinc/22/76/44/445227644.db2.gz PAECDUCNBSWFBL-SECBINFHSA-N 1 2 331.419 1.480 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000343465269 445227646 /nfs/dbraw/zinc/22/76/46/445227646.db2.gz PAECDUCNBSWFBL-SECBINFHSA-N 1 2 331.419 1.480 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000343494380 445233775 /nfs/dbraw/zinc/23/37/75/445233775.db2.gz FDHSQIVVTMIRIU-VIFPVBQESA-N 1 2 333.435 1.679 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000343494380 445233776 /nfs/dbraw/zinc/23/37/76/445233776.db2.gz FDHSQIVVTMIRIU-VIFPVBQESA-N 1 2 333.435 1.679 20 5 EDBDLO Cc1noc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000348104586 445269688 /nfs/dbraw/zinc/26/96/88/445269688.db2.gz BMWCIQMCIINLKY-VIFPVBQESA-N 1 2 331.332 1.526 20 5 EDBDLO CC(C)c1nnc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000348412173 445282082 /nfs/dbraw/zinc/28/20/82/445282082.db2.gz QORWXOVRNHZDPV-GFCCVEGCSA-N 1 2 336.352 1.371 20 5 EDBDLO CC(C)c1nnc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000348412173 445282086 /nfs/dbraw/zinc/28/20/86/445282086.db2.gz QORWXOVRNHZDPV-GFCCVEGCSA-N 1 2 336.352 1.371 20 5 EDBDLO COc1cc(C[N@@H+]2CCN(C)[C@@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000348414725 445282776 /nfs/dbraw/zinc/28/27/76/445282776.db2.gz XXLKPQFXABGYML-OAHLLOKOSA-N 1 2 345.403 1.826 20 5 EDBDLO COc1cc(C[N@H+]2CCN(C)[C@@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000348414725 445282778 /nfs/dbraw/zinc/28/27/78/445282778.db2.gz XXLKPQFXABGYML-OAHLLOKOSA-N 1 2 345.403 1.826 20 5 EDBDLO Cn1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000354747782 445363570 /nfs/dbraw/zinc/36/35/70/445363570.db2.gz ADKJPGGWCDIJSN-UHFFFAOYSA-N 1 2 340.343 1.487 20 5 EDBDLO COc1ccc(NC(=O)CN2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357042041 445390764 /nfs/dbraw/zinc/39/07/64/445390764.db2.gz QEDXWAPDUYEASF-UHFFFAOYSA-N 1 2 331.332 1.254 20 5 EDBDLO O=C(CN1CCn2cc[nH+]c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357044858 445391871 /nfs/dbraw/zinc/39/18/71/445391871.db2.gz VLIAKHVDWPKCAR-UHFFFAOYSA-N 1 2 335.751 1.899 20 5 EDBDLO C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCOCC1 ZINC000362734738 445524185 /nfs/dbraw/zinc/52/41/85/445524185.db2.gz HGJOJFHIEDFLIK-NSHDSACASA-N 1 2 333.348 1.777 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000357237436 445499973 /nfs/dbraw/zinc/49/99/73/445499973.db2.gz LWCBJCJSTBHTLA-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000357237436 445499977 /nfs/dbraw/zinc/49/99/77/445499977.db2.gz LWCBJCJSTBHTLA-UHFFFAOYSA-N 1 2 339.417 1.752 20 5 EDBDLO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000362941731 445618940 /nfs/dbraw/zinc/61/89/40/445618940.db2.gz LQCJOXXTNWOOPC-UONOGXRCSA-N 1 2 349.387 1.531 20 5 EDBDLO CC(=O)N1CC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353625047 445680385 /nfs/dbraw/zinc/68/03/85/445680385.db2.gz VHQMZWNEMDZVQP-ZBFHGGJFSA-N 1 2 343.387 1.628 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000356232639 445689056 /nfs/dbraw/zinc/68/90/56/445689056.db2.gz XASIXKDJDKTXIY-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO CO[C@]1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000353691608 445709746 /nfs/dbraw/zinc/70/97/46/445709746.db2.gz UCHKDGGTQGMMFD-RDJZCZTQSA-N 1 2 346.387 1.813 20 5 EDBDLO COc1cncc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000363218483 445726792 /nfs/dbraw/zinc/72/67/92/445726792.db2.gz JCMYRTQZMFNHFJ-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)nc1 ZINC000363287367 445753168 /nfs/dbraw/zinc/75/31/68/445753168.db2.gz DWZVRCSOJGGRFP-GFCCVEGCSA-N 1 2 343.391 1.604 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc4n3CCCC4)C2)nc1 ZINC000363287367 445753173 /nfs/dbraw/zinc/75/31/73/445753173.db2.gz DWZVRCSOJGGRFP-GFCCVEGCSA-N 1 2 343.391 1.604 20 5 EDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000358984431 445874425 /nfs/dbraw/zinc/87/44/25/445874425.db2.gz RZVSOPSJTHOEHI-JOYOIKCWSA-N 1 2 329.316 1.542 20 5 EDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000358984431 445874427 /nfs/dbraw/zinc/87/44/27/445874427.db2.gz RZVSOPSJTHOEHI-JOYOIKCWSA-N 1 2 329.316 1.542 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000350872437 445936022 /nfs/dbraw/zinc/93/60/22/445936022.db2.gz VECRXSUYUJIJEE-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000350872437 445936026 /nfs/dbraw/zinc/93/60/26/445936026.db2.gz VECRXSUYUJIJEE-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ncc1[N+](=O)[O-] ZINC000364052894 445893374 /nfs/dbraw/zinc/89/33/74/445893374.db2.gz FDXQFGHMMFNVJH-CYBMUJFWSA-N 1 2 333.392 1.089 20 5 EDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 ZINC000365100506 446023672 /nfs/dbraw/zinc/02/36/72/446023672.db2.gz IWVZRJDPNOHXJE-GFCCVEGCSA-N 1 2 343.387 1.911 20 5 EDBDLO CO[C@]1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000359254621 446089129 /nfs/dbraw/zinc/08/91/29/446089129.db2.gz PSWWOXFJVPBWKS-KRWDZBQOSA-N 1 2 344.371 2.000 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000365305351 446136868 /nfs/dbraw/zinc/13/68/68/446136868.db2.gz AAGFCIPIOMMJJS-LLVKDONJSA-N 1 2 329.360 1.602 20 5 EDBDLO C[NH+](C)CCn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1=O ZINC000354324284 446113632 /nfs/dbraw/zinc/11/36/32/446113632.db2.gz LZFQZFKKAIOMDU-UHFFFAOYSA-N 1 2 346.343 1.276 20 5 EDBDLO Cn1ccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000369414996 446119128 /nfs/dbraw/zinc/11/91/28/446119128.db2.gz VXRGXFJZHJKUDU-CQSZACIVSA-N 1 2 329.360 1.566 20 5 EDBDLO Cn1ccc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000369414996 446119131 /nfs/dbraw/zinc/11/91/31/446119131.db2.gz VXRGXFJZHJKUDU-CQSZACIVSA-N 1 2 329.360 1.566 20 5 EDBDLO CN1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000359594632 446310941 /nfs/dbraw/zinc/31/09/41/446310941.db2.gz FRLKIUZRDBYETD-LBPRGKRZSA-N 1 2 343.343 1.131 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@H]2CNc2ncccc2[N+](=O)[O-])cn1 ZINC000359637053 446331502 /nfs/dbraw/zinc/33/15/02/446331502.db2.gz KCFKOFAFFZBNLH-OLZOCXBDSA-N 1 2 334.355 1.748 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@H](F)C[C@H]2CNc2ncccc2[N+](=O)[O-])cn1 ZINC000359637053 446331505 /nfs/dbraw/zinc/33/15/05/446331505.db2.gz KCFKOFAFFZBNLH-OLZOCXBDSA-N 1 2 334.355 1.748 20 5 EDBDLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366807850 446361736 /nfs/dbraw/zinc/36/17/36/446361736.db2.gz MSSGTZUJBHVPFC-AAEUAGOBSA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366807850 446361737 /nfs/dbraw/zinc/36/17/37/446361737.db2.gz MSSGTZUJBHVPFC-AAEUAGOBSA-N 1 2 325.752 1.338 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374917437 446457174 /nfs/dbraw/zinc/45/71/74/446457174.db2.gz UTUILYQUHAYUHP-NSHDSACASA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374917437 446457177 /nfs/dbraw/zinc/45/71/77/446457177.db2.gz UTUILYQUHAYUHP-NSHDSACASA-N 1 2 331.369 1.248 20 5 EDBDLO CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000433013738 446528160 /nfs/dbraw/zinc/52/81/60/446528160.db2.gz YQZCKZSBULXZFF-OAHLLOKOSA-N 1 2 343.387 1.766 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000375247554 446668396 /nfs/dbraw/zinc/66/83/96/446668396.db2.gz CYZXTJUAFVQNLW-IUODEOHRSA-N 1 2 333.323 1.899 20 5 EDBDLO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420603196 446698979 /nfs/dbraw/zinc/69/89/79/446698979.db2.gz PPUQTMCIZPNBGW-GFCCVEGCSA-N 1 2 328.328 1.746 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000371317807 446769624 /nfs/dbraw/zinc/76/96/24/446769624.db2.gz DUZBZCKOGUGXBS-NSHDSACASA-N 1 2 336.373 1.507 20 5 EDBDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000412066075 446828381 /nfs/dbraw/zinc/82/83/81/446828381.db2.gz FGZOPXHQISODLR-NSHDSACASA-N 1 2 326.374 1.638 20 5 EDBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000412066075 446828386 /nfs/dbraw/zinc/82/83/86/446828386.db2.gz FGZOPXHQISODLR-NSHDSACASA-N 1 2 326.374 1.638 20 5 EDBDLO Cn1c[nH+]c2c1CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000368399707 446837996 /nfs/dbraw/zinc/83/79/96/446837996.db2.gz ZEZADSJZRKYYNR-UHFFFAOYSA-N 1 2 331.288 1.435 20 5 EDBDLO CC[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1[nH]cc[nH+]1 ZINC000442812036 446977796 /nfs/dbraw/zinc/97/77/96/446977796.db2.gz PZWDHTADWGBILR-NSHDSACASA-N 1 2 346.343 1.899 20 5 EDBDLO COC(=O)[C@@H](O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413213242 447071187 /nfs/dbraw/zinc/07/11/87/447071187.db2.gz ZPNJECRSRSOMBK-HNNXBMFYSA-N 1 2 345.355 1.893 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338995 447112858 /nfs/dbraw/zinc/11/28/58/447112858.db2.gz UKACGXMEHDEPIN-CQSZACIVSA-N 1 2 338.339 1.719 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338995 447112864 /nfs/dbraw/zinc/11/28/64/447112864.db2.gz UKACGXMEHDEPIN-CQSZACIVSA-N 1 2 338.339 1.719 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000427494669 447608506 /nfs/dbraw/zinc/60/85/06/447608506.db2.gz IZZKCVMWJMYYBA-LBPRGKRZSA-N 1 2 347.379 1.053 20 5 EDBDLO O=C1N=NC(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000450920291 447618346 /nfs/dbraw/zinc/61/83/46/447618346.db2.gz VPCGYUNUXQADIX-UHFFFAOYSA-N 1 2 344.331 1.939 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1C ZINC000408084967 447628096 /nfs/dbraw/zinc/62/80/96/447628096.db2.gz VOSNMHGBCIGGIW-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1C ZINC000408084967 447628105 /nfs/dbraw/zinc/62/81/05/447628105.db2.gz VOSNMHGBCIGGIW-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459490872 447685704 /nfs/dbraw/zinc/68/57/04/447685704.db2.gz CAEMXEUYMVAXGT-AWEZNQCLSA-N 1 2 349.435 1.807 20 5 EDBDLO CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451112989 447687522 /nfs/dbraw/zinc/68/75/22/447687522.db2.gz JBWYZEVTKSLDHN-LLVKDONJSA-N 1 2 345.359 1.377 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459630650 447725750 /nfs/dbraw/zinc/72/57/50/447725750.db2.gz IQINWAHKVWOEIO-CYBMUJFWSA-N 1 2 334.294 1.933 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459630650 447725752 /nfs/dbraw/zinc/72/57/52/447725752.db2.gz IQINWAHKVWOEIO-CYBMUJFWSA-N 1 2 334.294 1.933 20 5 EDBDLO CN(CCn1cccn1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472350541 447819717 /nfs/dbraw/zinc/81/97/17/447819717.db2.gz NWZDORJPSJMQSO-UHFFFAOYSA-N 1 2 345.403 1.760 20 5 EDBDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000526982232 448131519 /nfs/dbraw/zinc/13/15/19/448131519.db2.gz XICFOWMFECYFKT-UHFFFAOYSA-N 1 2 344.375 1.005 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000591150733 448273649 /nfs/dbraw/zinc/27/36/49/448273649.db2.gz YZJNEWVCOPJEBF-JTQLQIEISA-N 1 2 346.309 1.920 20 5 EDBDLO CN(C(=O)C[N@H+](C)CCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000532580401 448277161 /nfs/dbraw/zinc/27/71/61/448277161.db2.gz YNMHTXXNMBCQSO-UHFFFAOYSA-N 1 2 334.376 1.112 20 5 EDBDLO CN(C(=O)C[N@@H+](C)CCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000532580401 448277169 /nfs/dbraw/zinc/27/71/69/448277169.db2.gz YNMHTXXNMBCQSO-UHFFFAOYSA-N 1 2 334.376 1.112 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000535759551 448503935 /nfs/dbraw/zinc/50/39/35/448503935.db2.gz GNMZCMQUASLFCU-INIZCTEOSA-N 1 2 349.354 2.573 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542979012 448735030 /nfs/dbraw/zinc/73/50/30/448735030.db2.gz KNVCKPLGDIDVOI-LLVKDONJSA-N 1 2 333.797 1.372 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542979012 448735032 /nfs/dbraw/zinc/73/50/32/448735032.db2.gz KNVCKPLGDIDVOI-LLVKDONJSA-N 1 2 333.797 1.372 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083642 449161720 /nfs/dbraw/zinc/16/17/20/449161720.db2.gz QTOJENQHPKORDF-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083642 449161728 /nfs/dbraw/zinc/16/17/28/449161728.db2.gz QTOJENQHPKORDF-LBPRGKRZSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611083877 449162416 /nfs/dbraw/zinc/16/24/16/449162416.db2.gz IEZZHXBOYUBGGC-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611083877 449162426 /nfs/dbraw/zinc/16/24/26/449162426.db2.gz IEZZHXBOYUBGGC-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2[nH]c[nH+]c2C1 ZINC000590378137 449139783 /nfs/dbraw/zinc/13/97/83/449139783.db2.gz FRGYQQXOSOLJIO-UHFFFAOYSA-N 1 2 338.327 1.702 20 5 EDBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000590378137 449139788 /nfs/dbraw/zinc/13/97/88/449139788.db2.gz FRGYQQXOSOLJIO-UHFFFAOYSA-N 1 2 338.327 1.702 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593141513 449150179 /nfs/dbraw/zinc/15/01/79/449150179.db2.gz SWWCQXULSMTJFE-GFCCVEGCSA-N 1 2 339.367 1.456 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597994180 449177866 /nfs/dbraw/zinc/17/78/66/449177866.db2.gz AYHMNDGJQHMBST-ZJUUUORDSA-N 1 2 340.355 1.155 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597994180 449177871 /nfs/dbraw/zinc/17/78/71/449177871.db2.gz AYHMNDGJQHMBST-ZJUUUORDSA-N 1 2 340.355 1.155 20 5 EDBDLO Cc1nnc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000595886661 449233735 /nfs/dbraw/zinc/23/37/35/449233735.db2.gz XUGUJHSHMFXCDC-NSHDSACASA-N 1 2 338.389 1.626 20 5 EDBDLO Cc1nnc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000595886661 449233736 /nfs/dbraw/zinc/23/37/36/449233736.db2.gz XUGUJHSHMFXCDC-NSHDSACASA-N 1 2 338.389 1.626 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])cc1F ZINC000602167239 449398703 /nfs/dbraw/zinc/39/87/03/449398703.db2.gz KYGPHWGMMGQAAF-VIFPVBQESA-N 1 2 334.307 1.684 20 5 EDBDLO COc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])cc1OC ZINC000598459230 449406278 /nfs/dbraw/zinc/40/62/78/449406278.db2.gz FYUFFBVVEQTAJG-SECBINFHSA-N 1 2 334.332 1.837 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608432 449490356 /nfs/dbraw/zinc/49/03/56/449490356.db2.gz SMPXBDLHQSZYON-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598608432 449490363 /nfs/dbraw/zinc/49/03/63/449490363.db2.gz SMPXBDLHQSZYON-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000596248630 449438337 /nfs/dbraw/zinc/43/83/37/449438337.db2.gz ZWYIBPRTACSXAA-NSHDSACASA-N 1 2 326.784 1.944 20 5 EDBDLO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596543234 449547158 /nfs/dbraw/zinc/54/71/58/449547158.db2.gz ORUITKHVPANYMN-MRVPVSSYSA-N 1 2 325.350 1.149 20 5 EDBDLO CO[C@](C)(CO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000594590211 449586289 /nfs/dbraw/zinc/58/62/89/449586289.db2.gz WVENMEBCNGZQLU-INIZCTEOSA-N 1 2 339.392 1.236 20 5 EDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598948065 449665361 /nfs/dbraw/zinc/66/53/61/449665361.db2.gz OSFOWPNRNOZWEZ-SECBINFHSA-N 1 2 330.300 1.265 20 5 EDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000594763384 449676793 /nfs/dbraw/zinc/67/67/93/449676793.db2.gz QOKOIMMZKCLNEI-UHFFFAOYSA-N 1 2 337.361 1.281 20 5 EDBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])CC2 ZINC000598976307 449677142 /nfs/dbraw/zinc/67/71/42/449677142.db2.gz PXNUQUKFZJBHTO-ZDUSSCGKSA-N 1 2 343.387 1.890 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601113363 449696542 /nfs/dbraw/zinc/69/65/42/449696542.db2.gz FGHDVAKPGLEVNA-MRVPVSSYSA-N 1 2 337.302 1.480 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601113363 449696550 /nfs/dbraw/zinc/69/65/50/449696550.db2.gz FGHDVAKPGLEVNA-MRVPVSSYSA-N 1 2 337.302 1.480 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000617722434 449776679 /nfs/dbraw/zinc/77/66/79/449776679.db2.gz XLKXUHQFLYZAQY-MELADBBJSA-N 1 2 335.404 1.924 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])n1 ZINC000602679204 449745429 /nfs/dbraw/zinc/74/54/29/449745429.db2.gz PNURMHKDUOFCMS-ZBFHGGJFSA-N 1 2 334.351 1.628 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c([N+](=O)[O-])n1 ZINC000602679204 449745435 /nfs/dbraw/zinc/74/54/35/449745435.db2.gz PNURMHKDUOFCMS-ZBFHGGJFSA-N 1 2 334.351 1.628 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000601303975 449814325 /nfs/dbraw/zinc/81/43/25/449814325.db2.gz MHWCSEZQLSLHOA-LLVKDONJSA-N 1 2 345.446 1.824 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000601303975 449814333 /nfs/dbraw/zinc/81/43/33/449814333.db2.gz MHWCSEZQLSLHOA-LLVKDONJSA-N 1 2 345.446 1.824 20 5 EDBDLO Cn1cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602830251 449841953 /nfs/dbraw/zinc/84/19/53/449841953.db2.gz BGBPHRSYSQYCFM-HNNXBMFYSA-N 1 2 343.387 1.262 20 5 EDBDLO Cn1cc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602830251 449841958 /nfs/dbraw/zinc/84/19/58/449841958.db2.gz BGBPHRSYSQYCFM-HNNXBMFYSA-N 1 2 343.387 1.262 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000595091026 449865947 /nfs/dbraw/zinc/86/59/47/449865947.db2.gz QZUYGHLYURIGDF-WFASDCNBSA-N 1 2 329.360 1.286 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601421759 449938692 /nfs/dbraw/zinc/93/86/92/449938692.db2.gz JBPJERXZBIYBCW-PHIMTYICSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601421759 449938695 /nfs/dbraw/zinc/93/86/95/449938695.db2.gz JBPJERXZBIYBCW-PHIMTYICSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595219520 449954639 /nfs/dbraw/zinc/95/46/39/449954639.db2.gz IFBQZQKGRRKQGR-LLVKDONJSA-N 1 2 345.359 1.761 20 5 EDBDLO CCOC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599618149 450107352 /nfs/dbraw/zinc/10/73/52/450107352.db2.gz KMOATRLFKXWDIU-KGLIPLIRSA-N 1 2 340.376 1.072 20 5 EDBDLO CCOC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599618149 450107356 /nfs/dbraw/zinc/10/73/56/450107356.db2.gz KMOATRLFKXWDIU-KGLIPLIRSA-N 1 2 340.376 1.072 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599640998 450122221 /nfs/dbraw/zinc/12/22/21/450122221.db2.gz GFRDUZFOSXYCPZ-STQMWFEESA-N 1 2 328.340 1.395 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599640998 450122228 /nfs/dbraw/zinc/12/22/28/450122228.db2.gz GFRDUZFOSXYCPZ-STQMWFEESA-N 1 2 328.340 1.395 20 5 EDBDLO COC1CC[NH+](Cc2cn(Cc3ccc([N+](=O)[O-])cc3F)nn2)CC1 ZINC000603223208 450154976 /nfs/dbraw/zinc/15/49/76/450154976.db2.gz FOIYZDHLZFBGQE-UHFFFAOYSA-N 1 2 349.366 1.985 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601737956 450202564 /nfs/dbraw/zinc/20/25/64/450202564.db2.gz WQDSPJKVZLDPPT-CQSZACIVSA-N 1 2 335.404 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ZINC000601733315 450197701 /nfs/dbraw/zinc/19/77/01/450197701.db2.gz AYVZTGCHMNWZCF-OAHLLOKOSA-N 1 2 346.387 1.339 20 5 EDBDLO Cc1nnc(CN2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000610487794 450240695 /nfs/dbraw/zinc/24/06/95/450240695.db2.gz ZTAMNAZTYBDFSQ-UHFFFAOYSA-N 1 2 346.391 1.218 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595595497 450253793 /nfs/dbraw/zinc/25/37/93/450253793.db2.gz WHPWRKKLBMXITK-JTQLQIEISA-N 1 2 333.348 1.786 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1c[nH]c[nH+]1 ZINC000595595497 450253796 /nfs/dbraw/zinc/25/37/96/450253796.db2.gz WHPWRKKLBMXITK-JTQLQIEISA-N 1 2 333.348 1.786 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000615833430 450255524 /nfs/dbraw/zinc/25/55/24/450255524.db2.gz AHPPWUADQJHOOO-PTNGSMBKSA-N 1 2 346.431 1.704 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000615833430 450255529 /nfs/dbraw/zinc/25/55/29/450255529.db2.gz 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20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1cn(C)c[nH+]1 ZINC000840327989 593609626 /nfs/dbraw/zinc/60/96/26/593609626.db2.gz YSTBYEREXIZOQY-UHFFFAOYSA-N 1 2 349.303 1.678 20 5 EDBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000815026259 593610545 /nfs/dbraw/zinc/61/05/45/593610545.db2.gz OUTYGMZCLMVPLG-UHFFFAOYSA-N 1 2 337.760 1.371 20 5 EDBDLO CC(C)C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000827090389 594637960 /nfs/dbraw/zinc/63/79/60/594637960.db2.gz ONZUGXIRFXDRMT-CYBMUJFWSA-N 1 2 332.360 1.917 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840976033 594834206 /nfs/dbraw/zinc/83/42/06/594834206.db2.gz ULURQOQZLNGVAS-TVQRCGJNSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840976033 594834208 /nfs/dbraw/zinc/83/42/08/594834208.db2.gz ULURQOQZLNGVAS-TVQRCGJNSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000843414370 595105439 /nfs/dbraw/zinc/10/54/39/595105439.db2.gz AXYOIYXRSCMQHJ-LBPRGKRZSA-N 1 2 344.331 1.979 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000843414370 595105441 /nfs/dbraw/zinc/10/54/41/595105441.db2.gz AXYOIYXRSCMQHJ-LBPRGKRZSA-N 1 2 344.331 1.979 20 5 EDBDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000842640595 595153733 /nfs/dbraw/zinc/15/37/33/595153733.db2.gz AMXSQAGPMYJVCU-GFCCVEGCSA-N 1 2 349.313 1.366 20 5 EDBDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000842640595 595153736 /nfs/dbraw/zinc/15/37/36/595153736.db2.gz AMXSQAGPMYJVCU-GFCCVEGCSA-N 1 2 349.313 1.366 20 5 EDBDLO COc1ccc(CO[NH+]=C(N)COC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000842655508 595159265 /nfs/dbraw/zinc/15/92/65/595159265.db2.gz FDIUJYZKSVXIGB-GFCCVEGCSA-N 1 2 339.348 1.797 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000843782388 595184356 /nfs/dbraw/zinc/18/43/56/595184356.db2.gz MWWYKLALZCGIRA-SNVBAGLBSA-N 1 2 325.340 1.493 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000843782388 595184359 /nfs/dbraw/zinc/18/43/59/595184359.db2.gz MWWYKLALZCGIRA-SNVBAGLBSA-N 1 2 325.340 1.493 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000843856874 595201646 /nfs/dbraw/zinc/20/16/46/595201646.db2.gz AGGULDFWYTXCOL-JTQLQIEISA-N 1 2 325.340 1.181 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000843856874 595201649 /nfs/dbraw/zinc/20/16/49/595201649.db2.gz AGGULDFWYTXCOL-JTQLQIEISA-N 1 2 325.340 1.181 20 5 EDBDLO CC[NH2+]Cc1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 ZINC000843142531 595295222 /nfs/dbraw/zinc/29/52/22/595295222.db2.gz HNCNBXOOXVTKSV-UHFFFAOYSA-N 1 2 333.304 1.013 20 5 EDBDLO Cc1c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857887630 595643612 /nfs/dbraw/zinc/64/36/12/595643612.db2.gz NMWPSNMAAFDYOG-SECBINFHSA-N 1 2 331.288 1.363 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)S1 ZINC000853381308 595745874 /nfs/dbraw/zinc/74/58/74/595745874.db2.gz ZZKIVIKVIVJWOO-JTQLQIEISA-N 1 2 349.416 1.307 20 5 EDBDLO Cc1noc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1[N+](=O)[O-] ZINC000852047743 596022208 /nfs/dbraw/zinc/02/22/08/596022208.db2.gz YCNKRWBFYMOYSG-NSHDSACASA-N 1 2 326.353 1.944 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1[N+](=O)[O-] ZINC000852047743 596022210 /nfs/dbraw/zinc/02/22/10/596022210.db2.gz YCNKRWBFYMOYSG-NSHDSACASA-N 1 2 326.353 1.944 20 5 EDBDLO O=C(N1CCc2[nH]c[nH+]c2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000863511928 596606201 /nfs/dbraw/zinc/60/62/01/596606201.db2.gz KQDMCSFHDWERSA-UHFFFAOYSA-N 1 2 338.270 1.874 20 5 EDBDLO O=C(N1CCc2[nH+]c[nH]c2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000863511928 596606203 /nfs/dbraw/zinc/60/62/03/596606203.db2.gz KQDMCSFHDWERSA-UHFFFAOYSA-N 1 2 338.270 1.874 20 5 EDBDLO Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000870076796 596737041 /nfs/dbraw/zinc/73/70/41/596737041.db2.gz YNSXTURSPNWGJD-HNNXBMFYSA-N 1 2 349.387 1.076 20 5 EDBDLO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])n3C)CC[NH2+]2)c1 ZINC000870147258 596772467 /nfs/dbraw/zinc/77/24/67/596772467.db2.gz BJQFNKLKNXYLSB-CQSZACIVSA-N 1 2 344.371 1.729 20 5 EDBDLO CO[C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cn3)Cc3ccc[nH+]c3N2C1 ZINC000866057965 596774444 /nfs/dbraw/zinc/77/44/44/596774444.db2.gz RBXIIMBCOCNADE-GXTWGEPZSA-N 1 2 342.359 1.394 20 5 EDBDLO COc1cccc(N2CCC(N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212973 596829885 /nfs/dbraw/zinc/82/98/85/596829885.db2.gz LTFMIEXHDGJSQQ-UHFFFAOYSA-N 1 2 334.420 1.820 20 5 EDBDLO Cc1cnoc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001032096066 698625084 /nfs/dbraw/zinc/62/50/84/698625084.db2.gz LWVPCYMEWIZLTM-UHFFFAOYSA-N 1 2 330.344 1.753 20 5 EDBDLO CN(C(=O)c1ccoc1)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005111929 707588520 /nfs/dbraw/zinc/58/85/20/707588520.db2.gz RFURESNDEOJLBE-UHFFFAOYSA-N 1 2 347.375 1.658 20 5 EDBDLO O=C(NCc1ccc(C[NH2+]Cc2ncccn2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816340 711197763 /nfs/dbraw/zinc/19/77/63/711197763.db2.gz NQDVWVFCNLSVJT-HUUCEWRRSA-N 1 2 341.371 1.048 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067417626 215142331 /nfs/dbraw/zinc/14/23/31/215142331.db2.gz RYLGGTZWRWZPMI-AWEZNQCLSA-N 1 2 348.403 1.690 20 5 EDBDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067417626 215142334 /nfs/dbraw/zinc/14/23/34/215142334.db2.gz RYLGGTZWRWZPMI-AWEZNQCLSA-N 1 2 348.403 1.690 20 5 EDBDLO CS(=O)(=O)N[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093530855 138293863 /nfs/dbraw/zinc/29/38/63/138293863.db2.gz SCADKVOORABZCJ-BPJJOFIESA-N 1 2 325.390 1.232 20 5 EDBDLO CS(=O)(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093530855 138293864 /nfs/dbraw/zinc/29/38/64/138293864.db2.gz SCADKVOORABZCJ-BPJJOFIESA-N 1 2 325.390 1.232 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131209692 138354642 /nfs/dbraw/zinc/35/46/42/138354642.db2.gz PYUNFNLETJUKIC-UHFFFAOYSA-N 1 2 334.380 1.659 20 5 EDBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000359522111 284626184 /nfs/dbraw/zinc/62/61/84/284626184.db2.gz BAWQHTCWLOQOIG-AWEZNQCLSA-N 1 2 345.355 1.888 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000263849527 139364531 /nfs/dbraw/zinc/36/45/31/139364531.db2.gz FXRLQLCHFBZWKY-UHFFFAOYSA-N 1 2 327.768 1.652 20 5 EDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cscn1 ZINC000116922524 221010911 /nfs/dbraw/zinc/01/09/11/221010911.db2.gz UKBPDCLMAIAODB-UHFFFAOYSA-N 1 2 342.402 1.119 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c1C ZINC000119643878 221366261 /nfs/dbraw/zinc/36/62/61/221366261.db2.gz LJYXRKCQYYCGSX-UHFFFAOYSA-N 1 2 338.389 1.766 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000352624786 285327343 /nfs/dbraw/zinc/32/73/43/285327343.db2.gz BPTNJJLIVKXNKS-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000352624786 285327347 /nfs/dbraw/zinc/32/73/47/285327347.db2.gz BPTNJJLIVKXNKS-GFCCVEGCSA-N 1 2 341.433 1.926 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000347352604 533382571 /nfs/dbraw/zinc/38/25/71/533382571.db2.gz FMYUZMWJOLIVOL-KAMYIIQDSA-N 1 2 346.431 1.880 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000347352604 533382577 /nfs/dbraw/zinc/38/25/77/533382577.db2.gz FMYUZMWJOLIVOL-KAMYIIQDSA-N 1 2 346.431 1.880 20 5 EDBDLO COCC1(O)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000270364105 140086532 /nfs/dbraw/zinc/08/65/32/140086532.db2.gz KZZDEFPVDYJVIW-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000459496581 296517420 /nfs/dbraw/zinc/51/74/20/296517420.db2.gz PEWNDHSCPFPBBI-UHFFFAOYSA-N 1 2 334.298 1.691 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+]1CCOCC1 ZINC000332141855 141130218 /nfs/dbraw/zinc/13/02/18/141130218.db2.gz MLRPAQVXSZVJLL-GXTWGEPZSA-N 1 2 336.392 1.116 20 5 EDBDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000345376979 143083749 /nfs/dbraw/zinc/08/37/49/143083749.db2.gz FHEASPHPHNSJIE-GHMZBOCLSA-N 1 2 327.406 1.838 20 5 EDBDLO Cc1n[nH]c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000352805662 149174250 /nfs/dbraw/zinc/17/42/50/149174250.db2.gz XLYNKIIGDFHWKS-LBPRGKRZSA-N 1 2 339.396 1.103 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C=C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353385071 149387249 /nfs/dbraw/zinc/38/72/49/149387249.db2.gz JLNAEQNEUHGGBE-IVMMDQJWSA-N 1 2 328.372 1.944 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000353390420 149388742 /nfs/dbraw/zinc/38/87/42/149388742.db2.gz UQYVNSXOMZCFAJ-HOTGVXAUSA-N 1 2 347.415 1.804 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000353390420 149388744 /nfs/dbraw/zinc/38/87/44/149388744.db2.gz UQYVNSXOMZCFAJ-HOTGVXAUSA-N 1 2 347.415 1.804 20 5 EDBDLO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000355234751 150176779 /nfs/dbraw/zinc/17/67/79/150176779.db2.gz IBAFJHKJVBZAGR-GFCCVEGCSA-N 1 2 337.376 1.531 20 5 EDBDLO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000355234751 150176783 /nfs/dbraw/zinc/17/67/83/150176783.db2.gz IBAFJHKJVBZAGR-GFCCVEGCSA-N 1 2 337.376 1.531 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000355275290 150196410 /nfs/dbraw/zinc/19/64/10/150196410.db2.gz AAVWIAFOTNXDRS-UHFFFAOYSA-N 1 2 348.359 1.512 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000355275290 150196412 /nfs/dbraw/zinc/19/64/12/150196412.db2.gz AAVWIAFOTNXDRS-UHFFFAOYSA-N 1 2 348.359 1.512 20 5 EDBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000355621931 150341097 /nfs/dbraw/zinc/34/10/97/150341097.db2.gz OBLOHYWIQKBHDC-UHFFFAOYSA-N 1 2 334.357 1.997 20 5 EDBDLO C[N@H+]1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000355621931 150341100 /nfs/dbraw/zinc/34/11/00/150341100.db2.gz OBLOHYWIQKBHDC-UHFFFAOYSA-N 1 2 334.357 1.997 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358378185 151355052 /nfs/dbraw/zinc/35/50/52/151355052.db2.gz CSHAABUOMFCVHY-LBPRGKRZSA-N 1 2 336.392 1.423 20 5 EDBDLO Cc1c(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358378185 151355054 /nfs/dbraw/zinc/35/50/54/151355054.db2.gz CSHAABUOMFCVHY-LBPRGKRZSA-N 1 2 336.392 1.423 20 5 EDBDLO Cc1nc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000360471457 152057734 /nfs/dbraw/zinc/05/77/34/152057734.db2.gz BEFDHJXKGUEVNX-HNNXBMFYSA-N 1 2 333.436 1.762 20 5 EDBDLO Nc1c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc(F)cc1[N+](=O)[O-] ZINC000363971984 153110502 /nfs/dbraw/zinc/11/05/02/153110502.db2.gz PQFNVBNVLQVIMY-UHFFFAOYSA-N 1 2 347.350 1.821 20 5 EDBDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000364435046 153236455 /nfs/dbraw/zinc/23/64/55/153236455.db2.gz JQPVCATZQYNGKR-NSHDSACASA-N 1 2 347.331 1.293 20 5 EDBDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000364435046 153236457 /nfs/dbraw/zinc/23/64/57/153236457.db2.gz JQPVCATZQYNGKR-NSHDSACASA-N 1 2 347.331 1.293 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367490444 154145952 /nfs/dbraw/zinc/14/59/52/154145952.db2.gz ONYCMOVYWOATOE-LLVKDONJSA-N 1 2 349.359 1.439 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C ZINC000369516281 155066562 /nfs/dbraw/zinc/06/65/62/155066562.db2.gz CVCHVCSSFVMSST-AWEZNQCLSA-N 1 2 344.375 1.039 20 5 EDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000371701377 156069532 /nfs/dbraw/zinc/06/95/32/156069532.db2.gz TUBYWGIXRJAWBR-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000187940140 267744524 /nfs/dbraw/zinc/74/45/24/267744524.db2.gz HTMZWOQPTHKFJB-WCQYABFASA-N 1 2 346.343 1.002 20 5 EDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477131 268047997 /nfs/dbraw/zinc/04/79/97/268047997.db2.gz PPABNQPJSWUSTE-NSHDSACASA-N 1 2 339.371 1.491 20 5 EDBDLO O=C1OCC[C@]12CCC[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275072780 268275031 /nfs/dbraw/zinc/27/50/31/268275031.db2.gz ATZIYPIHSKSHAY-XJKSGUPXSA-N 1 2 336.344 1.116 20 5 EDBDLO O=C1OCC[C@]12CCC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275072780 268275033 /nfs/dbraw/zinc/27/50/33/268275033.db2.gz ATZIYPIHSKSHAY-XJKSGUPXSA-N 1 2 336.344 1.116 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000275440783 268342903 /nfs/dbraw/zinc/34/29/03/268342903.db2.gz ADLLOQIZWAEMMI-SNVBAGLBSA-N 1 2 348.363 1.411 20 5 EDBDLO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275853396 268378673 /nfs/dbraw/zinc/37/86/73/268378673.db2.gz HKRSKRQZPNGVBK-LLVKDONJSA-N 1 2 345.396 1.887 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024752479 272909166 /nfs/dbraw/zinc/90/91/66/272909166.db2.gz HYDLMQYWTOWMSO-UHFFFAOYSA-N 1 2 340.343 1.353 20 5 EDBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)Cn1cc[nH+]c1 ZINC000276116704 273149740 /nfs/dbraw/zinc/14/97/40/273149740.db2.gz XAMMUPZVNPCGDP-NSHDSACASA-N 1 2 338.389 1.943 20 5 EDBDLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277023603 273177421 /nfs/dbraw/zinc/17/74/21/273177421.db2.gz APBGTDOGVPVIOT-QNXDBWELSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277023603 273177422 /nfs/dbraw/zinc/17/74/22/273177422.db2.gz APBGTDOGVPVIOT-QNXDBWELSA-N 1 2 342.417 1.177 20 5 EDBDLO Cc1nc(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc[nH+]1 ZINC000278179465 273252558 /nfs/dbraw/zinc/25/25/58/273252558.db2.gz DBDGWHPHTPRZSO-UHFFFAOYSA-N 1 2 340.387 1.988 20 5 EDBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000278415402 273263259 /nfs/dbraw/zinc/26/32/59/273263259.db2.gz OCDGEYTYHJFTFN-VIFPVBQESA-N 1 2 331.298 1.420 20 5 EDBDLO COC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000279160933 273284895 /nfs/dbraw/zinc/28/48/95/273284895.db2.gz ZYRKBRFUNYLEJT-KGLIPLIRSA-N 1 2 348.359 1.928 20 5 EDBDLO Cn1ccnc1[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000280611394 273377553 /nfs/dbraw/zinc/37/75/53/273377553.db2.gz YIOSRQAFAGOGRL-CQSZACIVSA-N 1 2 341.375 1.698 20 5 EDBDLO Cn1ccnc1[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000280611394 273377554 /nfs/dbraw/zinc/37/75/54/273377554.db2.gz YIOSRQAFAGOGRL-CQSZACIVSA-N 1 2 341.375 1.698 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000280611394 273377555 /nfs/dbraw/zinc/37/75/55/273377555.db2.gz YIOSRQAFAGOGRL-CQSZACIVSA-N 1 2 341.375 1.698 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000281781733 273529054 /nfs/dbraw/zinc/52/90/54/273529054.db2.gz HJAYTHPHSCPLKY-NSHDSACASA-N 1 2 332.364 1.447 20 5 EDBDLO COC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284470088 274213626 /nfs/dbraw/zinc/21/36/26/274213626.db2.gz FTHRCESJKOBNCP-CYBMUJFWSA-N 1 2 337.376 1.320 20 5 EDBDLO COC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284470088 274213628 /nfs/dbraw/zinc/21/36/28/274213628.db2.gz FTHRCESJKOBNCP-CYBMUJFWSA-N 1 2 337.376 1.320 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284839243 274353724 /nfs/dbraw/zinc/35/37/24/274353724.db2.gz QWOZQIGEXPGADY-NVXWUHKLSA-N 1 2 335.404 1.898 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284839243 274353726 /nfs/dbraw/zinc/35/37/26/274353726.db2.gz QWOZQIGEXPGADY-NVXWUHKLSA-N 1 2 335.404 1.898 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287251401 288192226 /nfs/dbraw/zinc/19/22/26/288192226.db2.gz JVSFWPFHROWQED-ZIAGYGMSSA-N 1 2 333.388 1.838 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1NC(=O)OC(C)(C)C ZINC000496100211 288209100 /nfs/dbraw/zinc/20/91/00/288209100.db2.gz NRAHQBYWVCYMQI-GHMZBOCLSA-N 1 2 339.396 1.673 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1NC(=O)OC(C)(C)C ZINC000496100211 288209102 /nfs/dbraw/zinc/20/91/02/288209102.db2.gz NRAHQBYWVCYMQI-GHMZBOCLSA-N 1 2 339.396 1.673 20 5 EDBDLO Cc1cc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)ncc1[N+](=O)[O-] ZINC000364052895 280559633 /nfs/dbraw/zinc/55/96/33/280559633.db2.gz FDXQFGHMMFNVJH-ZDUSSCGKSA-N 1 2 333.392 1.089 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291706591 289157057 /nfs/dbraw/zinc/15/70/57/289157057.db2.gz IIEOYKIGUGEQBQ-AWEZNQCLSA-N 1 2 329.360 1.985 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291706591 289157060 /nfs/dbraw/zinc/15/70/60/289157060.db2.gz IIEOYKIGUGEQBQ-AWEZNQCLSA-N 1 2 329.360 1.985 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291910931 289212692 /nfs/dbraw/zinc/21/26/92/289212692.db2.gz RTYKWMQPHBJETK-CYBMUJFWSA-N 1 2 345.359 1.685 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291910931 289212695 /nfs/dbraw/zinc/21/26/95/289212695.db2.gz RTYKWMQPHBJETK-CYBMUJFWSA-N 1 2 345.359 1.685 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292170167 289280561 /nfs/dbraw/zinc/28/05/61/289280561.db2.gz LVRBEUPSDKLTPC-CYBMUJFWSA-N 1 2 343.405 1.069 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292170167 289280564 /nfs/dbraw/zinc/28/05/64/289280564.db2.gz LVRBEUPSDKLTPC-CYBMUJFWSA-N 1 2 343.405 1.069 20 5 EDBDLO C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000293272164 289567298 /nfs/dbraw/zinc/56/72/98/289567298.db2.gz UZPFDRJNFPJHKF-KGLIPLIRSA-N 1 2 333.388 1.920 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000372861931 447322785 /nfs/dbraw/zinc/32/27/85/447322785.db2.gz ZBPALNORSVNAFH-UHFFFAOYSA-N 1 2 335.389 1.178 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000372861931 447322790 /nfs/dbraw/zinc/32/27/90/447322790.db2.gz ZBPALNORSVNAFH-UHFFFAOYSA-N 1 2 335.389 1.178 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294391475 303101094 /nfs/dbraw/zinc/10/10/94/303101094.db2.gz HWNMGTTXSXDZRO-ZDUSSCGKSA-N 1 2 349.387 1.395 20 5 EDBDLO CNC(=O)NC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000297354147 303388722 /nfs/dbraw/zinc/38/87/22/303388722.db2.gz GWXOGQQGJFJRPU-UHFFFAOYSA-N 1 2 330.344 1.968 20 5 EDBDLO COCCOCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448600619 447333538 /nfs/dbraw/zinc/33/35/38/447333538.db2.gz IZOZCWIQCSGSQI-UHFFFAOYSA-N 1 2 348.359 1.563 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)S1 ZINC000301595334 303685576 /nfs/dbraw/zinc/68/55/76/303685576.db2.gz RVHJDHFEZMQQHS-JTQLQIEISA-N 1 2 349.416 1.307 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000430224814 305047830 /nfs/dbraw/zinc/04/78/30/305047830.db2.gz LKLJVOIVNVVFAX-UHFFFAOYSA-N 1 2 345.403 1.655 20 5 EDBDLO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2C1 ZINC000436729893 305166629 /nfs/dbraw/zinc/16/66/29/305166629.db2.gz ILRAXPSHUFBEHQ-LLVKDONJSA-N 1 2 328.328 1.764 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccnn1 ZINC000447815428 305286115 /nfs/dbraw/zinc/28/61/15/305286115.db2.gz FZORLHLFLHDJKI-UHFFFAOYSA-N 1 2 329.360 1.829 20 5 EDBDLO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCn1cc[nH+]c1 ZINC000447815160 305286182 /nfs/dbraw/zinc/28/61/82/305286182.db2.gz DIJPDVPDYXAHBC-UHFFFAOYSA-N 1 2 331.376 1.736 20 5 EDBDLO COCC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450043473 305323384 /nfs/dbraw/zinc/32/33/84/305323384.db2.gz NYRLVWLWQQRBKJ-INIZCTEOSA-N 1 2 348.359 1.298 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CCOC2 ZINC000452163454 305385342 /nfs/dbraw/zinc/38/53/42/305385342.db2.gz KXAGPNBQQVZYEO-UHFFFAOYSA-N 1 2 328.328 1.643 20 5 EDBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000493678582 305622176 /nfs/dbraw/zinc/62/21/76/305622176.db2.gz HFWARDPAPAQJBR-ZYOFXKKJSA-N 1 2 325.315 1.969 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCC1=O ZINC000535724406 306014956 /nfs/dbraw/zinc/01/49/56/306014956.db2.gz KMOHXQHRLOYGSR-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCCC1=O ZINC000535724406 306014957 /nfs/dbraw/zinc/01/49/57/306014957.db2.gz KMOHXQHRLOYGSR-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CNC(=O)[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450034521 447426626 /nfs/dbraw/zinc/42/66/26/447426626.db2.gz LGRDBAJAJYAYDO-LLVKDONJSA-N 1 2 345.359 1.235 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047151339 441160700 /nfs/dbraw/zinc/16/07/00/441160700.db2.gz VCWJGMVGPXBHBP-GFCCVEGCSA-N 1 2 339.417 1.524 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000105177133 441241276 /nfs/dbraw/zinc/24/12/76/441241276.db2.gz OBODLLVFYFOLTF-UHFFFAOYSA-N 1 2 336.392 1.111 20 5 EDBDLO CCN(CC)c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c[nH+]1 ZINC000065868501 441491129 /nfs/dbraw/zinc/49/11/29/441491129.db2.gz QAQBIBSZNPOLPN-UHFFFAOYSA-N 1 2 346.391 1.657 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075889908 441564351 /nfs/dbraw/zinc/56/43/51/441564351.db2.gz JUFVKDZBYNTGPT-MRXNPFEDSA-N 1 2 335.404 1.900 20 5 EDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000114856576 441690903 /nfs/dbraw/zinc/69/09/03/441690903.db2.gz DGEBICNPEMRQNY-GFCCVEGCSA-N 1 2 345.359 1.064 20 5 EDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000114856576 441690904 /nfs/dbraw/zinc/69/09/04/441690904.db2.gz DGEBICNPEMRQNY-GFCCVEGCSA-N 1 2 345.359 1.064 20 5 EDBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450289431 447443957 /nfs/dbraw/zinc/44/39/57/447443957.db2.gz VGYVOBYTZGHGCI-IAQYHMDHSA-N 1 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COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126839387 442148131 /nfs/dbraw/zinc/14/81/31/442148131.db2.gz OUISDZBEEHEMPH-ZFWWWQNUSA-N 1 2 346.339 1.963 20 5 EDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126839387 442148134 /nfs/dbraw/zinc/14/81/34/442148134.db2.gz OUISDZBEEHEMPH-ZFWWWQNUSA-N 1 2 346.339 1.963 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175661271 442100251 /nfs/dbraw/zinc/10/02/51/442100251.db2.gz BKMLFAQDLPLMPC-UHFFFAOYSA-N 1 2 335.341 1.886 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000170629169 442238545 /nfs/dbraw/zinc/23/85/45/442238545.db2.gz XTNBHWNJBNDILB-UHFFFAOYSA-N 1 2 337.376 1.201 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000170629169 442238548 /nfs/dbraw/zinc/23/85/48/442238548.db2.gz XTNBHWNJBNDILB-UHFFFAOYSA-N 1 2 337.376 1.201 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650384 442242332 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/nfs/dbraw/zinc/35/08/01/448350801.db2.gz MBAKSCBMMFIPCQ-GFCCVEGCSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000533060838 448350803 /nfs/dbraw/zinc/35/08/03/448350803.db2.gz MBAKSCBMMFIPCQ-GFCCVEGCSA-N 1 2 331.369 1.248 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000582972521 448394104 /nfs/dbraw/zinc/39/41/04/448394104.db2.gz GVWZTLFPSXDKSO-INIZCTEOSA-N 1 2 332.360 1.196 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000582972521 448394110 /nfs/dbraw/zinc/39/41/10/448394110.db2.gz GVWZTLFPSXDKSO-INIZCTEOSA-N 1 2 332.360 1.196 20 5 EDBDLO CN(C)c1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000535072411 448483496 /nfs/dbraw/zinc/48/34/96/448483496.db2.gz AFXQHYJLECFNPR-UHFFFAOYSA-N 1 2 343.391 1.168 20 5 EDBDLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000517305517 448570989 /nfs/dbraw/zinc/57/09/89/448570989.db2.gz HQPMHCRHMFDGRF-UHFFFAOYSA-N 1 2 347.423 1.818 20 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330.348 1.254 20 5 EDBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597940260 449151338 /nfs/dbraw/zinc/15/13/38/449151338.db2.gz GQUFSABZXWUFOZ-UHFFFAOYSA-N 1 2 343.343 1.621 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC3(COC3)C2)cc1 ZINC000595835705 449197274 /nfs/dbraw/zinc/19/72/74/449197274.db2.gz WWSRDZULZLIHNO-UHFFFAOYSA-N 1 2 326.374 1.091 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC3(COC3)C2)cc1 ZINC000595835705 449197278 /nfs/dbraw/zinc/19/72/78/449197278.db2.gz WWSRDZULZLIHNO-UHFFFAOYSA-N 1 2 326.374 1.091 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598000937 449186338 /nfs/dbraw/zinc/18/63/38/449186338.db2.gz VXDDYBQWZWPMOZ-GHMZBOCLSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598000937 449186344 /nfs/dbraw/zinc/18/63/44/449186344.db2.gz VXDDYBQWZWPMOZ-GHMZBOCLSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000590564681 449193033 /nfs/dbraw/zinc/19/30/33/449193033.db2.gz FNUHSXWWVWTJEC-SECBINFHSA-N 1 2 327.304 1.390 20 5 EDBDLO Cc1nnc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000611431387 449289156 /nfs/dbraw/zinc/28/91/56/449289156.db2.gz XRSFJDJZBOCWKM-LBPRGKRZSA-N 1 2 330.392 1.900 20 5 EDBDLO C[C@@H](O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598236084 449304174 /nfs/dbraw/zinc/30/41/74/449304174.db2.gz HBTYUAPYJTWUDB-DGCLKSJQSA-N 1 2 330.344 1.766 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000611515201 449316846 /nfs/dbraw/zinc/31/68/46/449316846.db2.gz LCVBFAJTGPNKCP-AWEZNQCLSA-N 1 2 334.420 1.670 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000611515201 449316848 /nfs/dbraw/zinc/31/68/48/449316848.db2.gz LCVBFAJTGPNKCP-AWEZNQCLSA-N 1 2 334.420 1.670 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000594016616 449323841 /nfs/dbraw/zinc/32/38/41/449323841.db2.gz AJZWKCVJLDVEIU-CQSZACIVSA-N 1 2 342.417 1.605 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2CO)cc1 ZINC000594016616 449323844 /nfs/dbraw/zinc/32/38/44/449323844.db2.gz AJZWKCVJLDVEIU-CQSZACIVSA-N 1 2 342.417 1.605 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596079223 449353607 /nfs/dbraw/zinc/35/36/07/449353607.db2.gz MIXLWLMNXWAWST-UHFFFAOYSA-N 1 2 333.348 1.622 20 5 EDBDLO Nc1nccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000594217516 449393922 /nfs/dbraw/zinc/39/39/22/449393922.db2.gz ZIFBNPQFGUAFCZ-UHFFFAOYSA-N 1 2 347.400 1.592 20 5 EDBDLO Nc1ccc(N(CC[NH+]2CCOCC2)Cc2ccco2)nc1[N+](=O)[O-] ZINC000596260933 449444950 /nfs/dbraw/zinc/44/49/50/449444950.db2.gz QPTDIZLPAFLOJH-UHFFFAOYSA-N 1 2 347.375 1.504 20 5 EDBDLO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600628708 449465851 /nfs/dbraw/zinc/46/58/51/449465851.db2.gz KAGNUPNMWVBOFH-VHDGCEQUSA-N 1 2 349.387 1.672 20 5 EDBDLO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600628708 449465852 /nfs/dbraw/zinc/46/58/52/449465852.db2.gz KAGNUPNMWVBOFH-VHDGCEQUSA-N 1 2 349.387 1.672 20 5 EDBDLO C[C@H](c1[nH+]ccn1C)N1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600704927 449505459 /nfs/dbraw/zinc/50/54/59/449505459.db2.gz WXADUIJCDKIDLI-HWPZZCPQSA-N 1 2 343.343 1.857 20 5 EDBDLO Cc1cc(OCC(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000598951200 449666752 /nfs/dbraw/zinc/66/67/52/449666752.db2.gz YLRCGTMJVJGMFC-LBPRGKRZSA-N 1 2 330.344 1.610 20 5 EDBDLO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761335 449675692 /nfs/dbraw/zinc/67/56/92/449675692.db2.gz WTFDLBIIBLEPRM-UHFFFAOYSA-N 1 2 339.377 1.253 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601151038 449718355 /nfs/dbraw/zinc/71/83/55/449718355.db2.gz MTXUGLWNEIYRSS-LBPRGKRZSA-N 1 2 332.339 1.630 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601151038 449718359 /nfs/dbraw/zinc/71/83/59/449718359.db2.gz MTXUGLWNEIYRSS-LBPRGKRZSA-N 1 2 332.339 1.630 20 5 EDBDLO O=C1[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C1CCC1 ZINC000602766026 449791550 /nfs/dbraw/zinc/79/15/50/449791550.db2.gz KPDSSDPFYSCYBD-HNNXBMFYSA-N 1 2 345.403 1.265 20 5 EDBDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602944663 449946138 /nfs/dbraw/zinc/94/61/38/449946138.db2.gz WTFNLUDFBVHHIK-UHFFFAOYSA-N 1 2 329.360 1.647 20 5 EDBDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602944663 449946143 /nfs/dbraw/zinc/94/61/43/449946143.db2.gz WTFNLUDFBVHHIK-UHFFFAOYSA-N 1 2 329.360 1.647 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000601389875 449905528 /nfs/dbraw/zinc/90/55/28/449905528.db2.gz AOOQJAUWCIZKRA-UHFFFAOYSA-N 1 2 340.336 1.484 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595219641 449954661 /nfs/dbraw/zinc/95/46/61/449954661.db2.gz LYAXCDVNHIGYIU-NSHDSACASA-N 1 2 345.359 1.761 20 5 EDBDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595338334 450051586 /nfs/dbraw/zinc/05/15/86/450051586.db2.gz QZQYAHZLHPWVCO-UHFFFAOYSA-N 1 2 331.369 1.201 20 5 EDBDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595338334 450051592 /nfs/dbraw/zinc/05/15/92/450051592.db2.gz QZQYAHZLHPWVCO-UHFFFAOYSA-N 1 2 331.369 1.201 20 5 EDBDLO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000595374772 450087920 /nfs/dbraw/zinc/08/79/20/450087920.db2.gz JUIXUISMPFIUDG-QWRGUYRKSA-N 1 2 331.380 1.918 20 5 EDBDLO CCc1nnc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000595374772 450087927 /nfs/dbraw/zinc/08/79/27/450087927.db2.gz JUIXUISMPFIUDG-QWRGUYRKSA-N 1 2 331.380 1.918 20 5 EDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000610260428 450172931 /nfs/dbraw/zinc/17/29/31/450172931.db2.gz LHIJRNHFPQCQCB-UHFFFAOYSA-N 1 2 340.405 1.239 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601732907 450196984 /nfs/dbraw/zinc/19/69/84/450196984.db2.gz DGHNSDFHONWVKP-JTQLQIEISA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601732907 450196991 /nfs/dbraw/zinc/19/69/91/450196991.db2.gz DGHNSDFHONWVKP-JTQLQIEISA-N 1 2 327.768 1.651 20 5 EDBDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567707 450239392 /nfs/dbraw/zinc/23/93/92/450239392.db2.gz MOEJRPVOKDFFES-LLVKDONJSA-N 1 2 336.270 1.392 20 5 EDBDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567707 450239398 /nfs/dbraw/zinc/23/93/98/450239398.db2.gz MOEJRPVOKDFFES-LLVKDONJSA-N 1 2 336.270 1.392 20 5 EDBDLO Nc1c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000610513929 450249435 /nfs/dbraw/zinc/24/94/35/450249435.db2.gz PPTUAUFBIGOEDA-GFCCVEGCSA-N 1 2 334.376 1.114 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000619494572 450490730 /nfs/dbraw/zinc/49/07/30/450490730.db2.gz QOMDVCAKDLBRAT-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000619494572 450490734 /nfs/dbraw/zinc/49/07/34/450490734.db2.gz QOMDVCAKDLBRAT-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000524790482 486871835 /nfs/dbraw/zinc/87/18/35/486871835.db2.gz UZWPFSMEUFAJKJ-SNVBAGLBSA-N 1 2 331.369 1.354 20 5 EDBDLO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000524790482 486871838 /nfs/dbraw/zinc/87/18/38/486871838.db2.gz UZWPFSMEUFAJKJ-SNVBAGLBSA-N 1 2 331.369 1.354 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175535021 534520047 /nfs/dbraw/zinc/52/00/47/534520047.db2.gz SWASTXNRYAOLJD-UHFFFAOYSA-N 1 2 339.149 1.984 20 5 EDBDLO O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000184071459 534542204 /nfs/dbraw/zinc/54/22/04/534542204.db2.gz CJWVLCIRZXGHPX-UHFFFAOYSA-N 1 2 349.387 1.662 20 5 EDBDLO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000184071459 534542211 /nfs/dbraw/zinc/54/22/11/534542211.db2.gz CJWVLCIRZXGHPX-UHFFFAOYSA-N 1 2 349.387 1.662 20 5 EDBDLO CCOC(=O)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000741251694 579405094 /nfs/dbraw/zinc/40/50/94/579405094.db2.gz DYVBWKHIUYMCCZ-OAHLLOKOSA-N 1 2 338.360 1.628 20 5 EDBDLO CCOC(=O)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000741251694 579405095 /nfs/dbraw/zinc/40/50/95/579405095.db2.gz DYVBWKHIUYMCCZ-OAHLLOKOSA-N 1 2 338.360 1.628 20 5 EDBDLO Cc1nn(C)c(C(=O)OCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000728332379 578546360 /nfs/dbraw/zinc/54/63/60/578546360.db2.gz CFEASTJTGVPNGS-UHFFFAOYSA-N 1 2 329.316 1.950 20 5 EDBDLO COC[C@H]1CC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000739871219 579262049 /nfs/dbraw/zinc/26/20/49/579262049.db2.gz NBIDQCOFPUDEHF-ZDUSSCGKSA-N 1 2 344.371 1.744 20 5 EDBDLO COC[C@H]1CC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000739871219 579262050 /nfs/dbraw/zinc/26/20/50/579262050.db2.gz NBIDQCOFPUDEHF-ZDUSSCGKSA-N 1 2 344.371 1.744 20 5 EDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000745082873 579537113 /nfs/dbraw/zinc/53/71/13/579537113.db2.gz ROCIHKXNYDDRDX-OAHLLOKOSA-N 1 2 347.371 1.511 20 5 EDBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000745082873 579537114 /nfs/dbraw/zinc/53/71/14/579537114.db2.gz ROCIHKXNYDDRDX-OAHLLOKOSA-N 1 2 347.371 1.511 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000747204820 579633380 /nfs/dbraw/zinc/63/33/80/579633380.db2.gz MHPAPYUSIHAEJV-UHFFFAOYSA-N 1 2 334.420 1.894 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749980220 579746667 /nfs/dbraw/zinc/74/66/67/579746667.db2.gz HWARDDIYBWZAHO-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749980220 579746668 /nfs/dbraw/zinc/74/66/68/579746668.db2.gz HWARDDIYBWZAHO-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1COCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000753985839 579892872 /nfs/dbraw/zinc/89/28/72/579892872.db2.gz IZGWGIQTQPFTDK-GFCCVEGCSA-N 1 2 348.359 1.289 20 5 EDBDLO C[C@H]1COCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000753985839 579892873 /nfs/dbraw/zinc/89/28/73/579892873.db2.gz IZGWGIQTQPFTDK-GFCCVEGCSA-N 1 2 348.359 1.289 20 5 EDBDLO O=[N+]([O-])c1ccc(NC(=S)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000765977567 580155620 /nfs/dbraw/zinc/15/56/20/580155620.db2.gz RXFZCWBRRNSEAL-UHFFFAOYSA-N 1 2 336.417 1.746 20 5 EDBDLO COc1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000767523615 580191922 /nfs/dbraw/zinc/19/19/22/580191922.db2.gz KETDEDWHAVGDIW-BETUJISGSA-N 1 2 336.344 1.623 20 5 EDBDLO COc1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000767523615 580191923 /nfs/dbraw/zinc/19/19/23/580191923.db2.gz KETDEDWHAVGDIW-BETUJISGSA-N 1 2 336.344 1.623 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000774690422 580370570 /nfs/dbraw/zinc/37/05/70/580370570.db2.gz QMQJAQTVPBXNEB-NWDGAFQWSA-N 1 2 326.353 1.100 20 5 EDBDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000774690422 580370571 /nfs/dbraw/zinc/37/05/71/580370571.db2.gz QMQJAQTVPBXNEB-NWDGAFQWSA-N 1 2 326.353 1.100 20 5 EDBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ncccc3F)CC2)cc1 ZINC000776598092 580423628 /nfs/dbraw/zinc/42/36/28/580423628.db2.gz QRHGYWHZGVSAQB-INIZCTEOSA-N 1 2 346.362 1.985 20 5 EDBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000778278559 580460638 /nfs/dbraw/zinc/46/06/38/580460638.db2.gz YEMNOWGMJLUHHO-UHFFFAOYSA-N 1 2 330.329 1.493 20 5 EDBDLO CC[S@](=O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780765013 580533368 /nfs/dbraw/zinc/53/33/68/580533368.db2.gz URSLBZJKIXCHQY-PSLXWICFSA-N 1 2 336.417 1.776 20 5 EDBDLO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782620321 580580737 /nfs/dbraw/zinc/58/07/37/580580737.db2.gz UEJORNJNTVPIRP-LKFCYVNXSA-N 1 2 325.752 1.501 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782620321 580580738 /nfs/dbraw/zinc/58/07/38/580580738.db2.gz UEJORNJNTVPIRP-LKFCYVNXSA-N 1 2 325.752 1.501 20 5 EDBDLO O=c1oc2ccccc2n1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000782858653 580586360 /nfs/dbraw/zinc/58/63/60/580586360.db2.gz BTPUISWDHATGMK-UHFFFAOYSA-N 1 2 343.343 1.994 20 5 EDBDLO O=C(NCC1OCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000787963817 580711783 /nfs/dbraw/zinc/71/17/83/580711783.db2.gz JURRCNXCOKYSOR-UHFFFAOYSA-N 1 2 332.316 1.273 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000789538387 580748853 /nfs/dbraw/zinc/74/88/53/580748853.db2.gz AVDHRPLTFKLXMS-KRWDZBQOSA-N 1 2 345.355 1.651 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789538387 580748854 /nfs/dbraw/zinc/74/88/54/580748854.db2.gz AVDHRPLTFKLXMS-KRWDZBQOSA-N 1 2 345.355 1.651 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2C[C@]2(CO)C1 ZINC000790280454 580765845 /nfs/dbraw/zinc/76/58/45/580765845.db2.gz WYIMEGAKCHIBHV-WMLDXEAASA-N 1 2 333.388 1.246 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC(n2cc[nH+]c2)CC1 ZINC000794634407 580901006 /nfs/dbraw/zinc/90/10/06/580901006.db2.gz XDLPOUIYNYZWPN-UHFFFAOYSA-N 1 2 343.343 1.994 20 5 EDBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCOC2)O1 ZINC000794702931 580903486 /nfs/dbraw/zinc/90/34/86/580903486.db2.gz KRCFAIZUBTVNNH-MLGOLLRUSA-N 1 2 332.360 1.782 20 5 EDBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCOC2)O1 ZINC000794702931 580903487 /nfs/dbraw/zinc/90/34/87/580903487.db2.gz KRCFAIZUBTVNNH-MLGOLLRUSA-N 1 2 332.360 1.782 20 5 EDBDLO COC[C@@]1(C)C[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCO1 ZINC000895673841 591244449 /nfs/dbraw/zinc/24/44/49/591244449.db2.gz SKYNVBIYNNPTMO-OAHLLOKOSA-N 1 2 326.349 1.546 20 5 EDBDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCO1 ZINC000895673841 591244451 /nfs/dbraw/zinc/24/44/51/591244451.db2.gz SKYNVBIYNNPTMO-OAHLLOKOSA-N 1 2 326.349 1.546 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](O)[C@H](F)C1 ZINC000897377861 591354411 /nfs/dbraw/zinc/35/44/11/591354411.db2.gz JCXKWZHOBUHCHS-CJNGLKHVSA-N 1 2 339.367 1.336 20 5 EDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905897168 592671189 /nfs/dbraw/zinc/67/11/89/592671189.db2.gz CLFDRJNCFVWRJD-ZFWWWQNUSA-N 1 2 344.795 1.582 20 5 EDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905897168 592671192 /nfs/dbraw/zinc/67/11/92/592671192.db2.gz CLFDRJNCFVWRJD-ZFWWWQNUSA-N 1 2 344.795 1.582 20 5 EDBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)CC2(CCC2)C1=O ZINC000840080745 593133678 /nfs/dbraw/zinc/13/36/78/593133678.db2.gz QTKKNTPJUODVJA-UHFFFAOYSA-N 1 2 331.372 1.956 20 5 EDBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)CC2(CCC2)C1=O ZINC000840080745 593133681 /nfs/dbraw/zinc/13/36/81/593133681.db2.gz QTKKNTPJUODVJA-UHFFFAOYSA-N 1 2 331.372 1.956 20 5 EDBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000802240411 593238024 /nfs/dbraw/zinc/23/80/24/593238024.db2.gz ROXQUUKTFOOBEX-CYBMUJFWSA-N 1 2 349.322 1.376 20 5 EDBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000802240411 593238026 /nfs/dbraw/zinc/23/80/26/593238026.db2.gz ROXQUUKTFOOBEX-CYBMUJFWSA-N 1 2 349.322 1.376 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc[nH+]c1N1CCCC1 ZINC000838963188 593243536 /nfs/dbraw/zinc/24/35/36/593243536.db2.gz VQZXHPLMTXBPPD-UHFFFAOYSA-N 1 2 331.332 1.530 20 5 EDBDLO COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1[nH+]ccn1C ZINC000839494969 593308274 /nfs/dbraw/zinc/30/82/74/593308274.db2.gz QDNHRRBJYHKPGN-YRGRVCCFSA-N 1 2 330.344 1.300 20 5 EDBDLO CO[C@@H]1C[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000840055127 593430019 /nfs/dbraw/zinc/43/00/19/593430019.db2.gz UHLCZIVNKMBTHI-VMGRFDJRSA-N 1 2 349.387 1.846 20 5 EDBDLO CO[C@@H]1C[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000840055127 593430021 /nfs/dbraw/zinc/43/00/21/593430021.db2.gz UHLCZIVNKMBTHI-VMGRFDJRSA-N 1 2 349.387 1.846 20 5 EDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000820675912 593860288 /nfs/dbraw/zinc/86/02/88/593860288.db2.gz MLLJYMOLDHXTRV-SNVBAGLBSA-N 1 2 347.774 1.517 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821705115 593920456 /nfs/dbraw/zinc/92/04/56/593920456.db2.gz XXQYDNFKQUUVTF-TWMKSMIVSA-N 1 2 345.399 1.678 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821705115 593920458 /nfs/dbraw/zinc/92/04/58/593920458.db2.gz XXQYDNFKQUUVTF-TWMKSMIVSA-N 1 2 345.399 1.678 20 5 EDBDLO CN(C)c1[nH+]cccc1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825035906 594119695 /nfs/dbraw/zinc/11/96/95/594119695.db2.gz VNSNJYCEOGJQKW-CQSZACIVSA-N 1 2 330.344 1.406 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000823087369 594151144 /nfs/dbraw/zinc/15/11/44/594151144.db2.gz ATHKYJTXLMHZQN-NSHDSACASA-N 1 2 326.316 1.613 20 5 EDBDLO Cc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1[N+](=O)[O-] ZINC000825647838 594210396 /nfs/dbraw/zinc/21/03/96/594210396.db2.gz JAIUVNMMPGEECE-UHFFFAOYSA-N 1 2 333.388 1.774 20 5 EDBDLO C[N@@H+]1CCn2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cc2C1 ZINC000828600937 594460648 /nfs/dbraw/zinc/46/06/48/594460648.db2.gz KIAXQNYZHHVUBN-HUUCEWRRSA-N 1 2 341.371 1.979 20 5 EDBDLO C[N@H+]1CCn2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cc2C1 ZINC000828600937 594460651 /nfs/dbraw/zinc/46/06/51/594460651.db2.gz KIAXQNYZHHVUBN-HUUCEWRRSA-N 1 2 341.371 1.979 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@H]2CCn3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000833304067 594823278 /nfs/dbraw/zinc/82/32/78/594823278.db2.gz CPEBYPQFRVOFCF-LBPRGKRZSA-N 1 2 330.300 1.453 20 5 EDBDLO Cc1c(C(=O)N[C@@H]2CCn3cc[nH+]c32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000833305533 594823684 /nfs/dbraw/zinc/82/36/84/594823684.db2.gz RETJQLUNODMHBZ-LLVKDONJSA-N 1 2 331.288 1.883 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840976034 594834436 /nfs/dbraw/zinc/83/44/36/594834436.db2.gz ULURQOQZLNGVAS-ZANVPECISA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840976034 594834437 /nfs/dbraw/zinc/83/44/37/594834437.db2.gz ULURQOQZLNGVAS-ZANVPECISA-N 1 2 345.193 1.532 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000843782387 595184556 /nfs/dbraw/zinc/18/45/56/595184556.db2.gz MWWYKLALZCGIRA-JTQLQIEISA-N 1 2 325.340 1.493 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000843782387 595184557 /nfs/dbraw/zinc/18/45/57/595184557.db2.gz MWWYKLALZCGIRA-JTQLQIEISA-N 1 2 325.340 1.493 20 5 EDBDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000842961329 595243871 /nfs/dbraw/zinc/24/38/71/595243871.db2.gz GXHSYXIPOZEIAI-DOMZBBRYSA-N 1 2 338.360 1.487 20 5 EDBDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000842961329 595243874 /nfs/dbraw/zinc/24/38/74/595243874.db2.gz GXHSYXIPOZEIAI-DOMZBBRYSA-N 1 2 338.360 1.487 20 5 EDBDLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2N1 ZINC000835057540 595254386 /nfs/dbraw/zinc/25/43/86/595254386.db2.gz VNNIGRNOONZURL-AAEUAGOBSA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2N1 ZINC000835057540 595254388 /nfs/dbraw/zinc/25/43/88/595254388.db2.gz VNNIGRNOONZURL-AAEUAGOBSA-N 1 2 325.752 1.338 20 5 EDBDLO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000840569198 595266188 /nfs/dbraw/zinc/26/61/88/595266188.db2.gz HKKOCAGMGQPSMZ-UHFFFAOYSA-N 1 2 336.392 1.360 20 5 EDBDLO CN1CC[C@H]([N@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1=O ZINC000848479653 595390252 /nfs/dbraw/zinc/39/02/52/595390252.db2.gz HUQQEOWPEZQGCQ-CABCVRRESA-N 1 2 346.387 1.031 20 5 EDBDLO CN1CC[C@H]([N@@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1=O ZINC000848479653 595390255 /nfs/dbraw/zinc/39/02/55/595390255.db2.gz HUQQEOWPEZQGCQ-CABCVRRESA-N 1 2 346.387 1.031 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000845121368 595445755 /nfs/dbraw/zinc/44/57/55/595445755.db2.gz HPDJXASPLVSTOV-AWEZNQCLSA-N 1 2 336.344 1.909 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000845121368 595445756 /nfs/dbraw/zinc/44/57/56/595445756.db2.gz HPDJXASPLVSTOV-AWEZNQCLSA-N 1 2 336.344 1.909 20 5 EDBDLO CC(C)(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[N+](=O)[O-] ZINC000851129171 595736998 /nfs/dbraw/zinc/73/69/98/595736998.db2.gz JVDSXAVCKPNZHR-UHFFFAOYSA-N 1 2 334.288 1.993 20 5 EDBDLO C[N@H+](C[C@@H]1COCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853558063 595802288 /nfs/dbraw/zinc/80/22/88/595802288.db2.gz QIXFOOJKRVAYCB-GFCCVEGCSA-N 1 2 333.348 1.158 20 5 EDBDLO C[N@@H+](C[C@@H]1COCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853558063 595802291 /nfs/dbraw/zinc/80/22/91/595802291.db2.gz QIXFOOJKRVAYCB-GFCCVEGCSA-N 1 2 333.348 1.158 20 5 EDBDLO C[N@H+](C[C@H]1COCCO1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853559555 595803742 /nfs/dbraw/zinc/80/37/42/595803742.db2.gz ZAXKCKHDKTXADL-ZDUSSCGKSA-N 1 2 333.348 1.158 20 5 EDBDLO C[N@@H+](C[C@H]1COCCO1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853559555 595803744 /nfs/dbraw/zinc/80/37/44/595803744.db2.gz ZAXKCKHDKTXADL-ZDUSSCGKSA-N 1 2 333.348 1.158 20 5 EDBDLO Cc1cn(C[N@@H+]2CCC3(COC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000853597982 595823635 /nfs/dbraw/zinc/82/36/35/595823635.db2.gz NAHOEPLMIWKTCD-UHFFFAOYSA-N 1 2 344.371 1.535 20 5 EDBDLO Cc1cn(C[N@H+]2CCC3(COC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000853597982 595823637 /nfs/dbraw/zinc/82/36/37/595823637.db2.gz NAHOEPLMIWKTCD-UHFFFAOYSA-N 1 2 344.371 1.535 20 5 EDBDLO COC(=O)C1CC(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000860946143 595843171 /nfs/dbraw/zinc/84/31/71/595843171.db2.gz GWQZNXRZUDANHN-UHFFFAOYSA-N 1 2 345.311 1.889 20 5 EDBDLO Nc1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000858823567 595899516 /nfs/dbraw/zinc/89/95/16/595899516.db2.gz XXBMWEZRXFAEBX-OAHLLOKOSA-N 1 2 343.387 1.885 20 5 EDBDLO Nc1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000858823567 595899519 /nfs/dbraw/zinc/89/95/19/595899519.db2.gz XXBMWEZRXFAEBX-OAHLLOKOSA-N 1 2 343.387 1.885 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299576 596117724 /nfs/dbraw/zinc/11/77/24/596117724.db2.gz UVWBOIMUZKZOBB-LLVKDONJSA-N 1 2 344.371 1.792 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852299576 596117727 /nfs/dbraw/zinc/11/77/27/596117727.db2.gz UVWBOIMUZKZOBB-LLVKDONJSA-N 1 2 344.371 1.792 20 5 EDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)c2[nH+]cccc2C1 ZINC000866295102 596850178 /nfs/dbraw/zinc/85/01/78/596850178.db2.gz RSCXWNHEMSKRBH-UHFFFAOYSA-N 1 2 341.371 1.806 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000872771864 597062257 /nfs/dbraw/zinc/06/22/57/597062257.db2.gz MCFIXOHYJRXJGN-ZDUSSCGKSA-N 1 2 336.392 1.477 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000872771864 597062261 /nfs/dbraw/zinc/06/22/61/597062261.db2.gz MCFIXOHYJRXJGN-ZDUSSCGKSA-N 1 2 336.392 1.477 20 5 EDBDLO C[N@H+](CC1CCOCC1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000124647217 597382041 /nfs/dbraw/zinc/38/20/41/597382041.db2.gz NRADDGCSDAEVPM-UHFFFAOYSA-N 1 2 348.359 1.727 20 5 EDBDLO C[N@@H+](CC1CCOCC1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000124647217 597382045 /nfs/dbraw/zinc/38/20/45/597382045.db2.gz NRADDGCSDAEVPM-UHFFFAOYSA-N 1 2 348.359 1.727 20 5 EDBDLO Cc1ccnc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001031641402 697392079 /nfs/dbraw/zinc/39/20/79/697392079.db2.gz FEWOFTFBAMTKBB-UHFFFAOYSA-N 1 2 341.371 1.555 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000052129236 214117649 /nfs/dbraw/zinc/11/76/49/214117649.db2.gz TXXVATPCLSCVFB-UHFFFAOYSA-N 1 2 326.784 1.824 20 5 EDBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000265124743 282270787 /nfs/dbraw/zinc/27/07/87/282270787.db2.gz KWTHNJNBRKFVCP-CYBMUJFWSA-N 1 2 330.392 1.915 20 5 EDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000560489962 306271481 /nfs/dbraw/zinc/27/14/81/306271481.db2.gz RMHFINNCPGEDKG-CYBMUJFWSA-N 1 2 344.371 1.379 20 5 EDBDLO CSc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029699717 202190149 /nfs/dbraw/zinc/19/01/49/202190149.db2.gz TVRXZOQPPJVDPH-UHFFFAOYSA-N 1 2 325.390 1.379 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291854929 201340983 /nfs/dbraw/zinc/34/09/83/201340983.db2.gz PDVIRZMGUNMFRE-LLVKDONJSA-N 1 2 329.303 1.143 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000291854929 201340988 /nfs/dbraw/zinc/34/09/88/201340988.db2.gz PDVIRZMGUNMFRE-LLVKDONJSA-N 1 2 329.303 1.143 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299428037 201353025 /nfs/dbraw/zinc/35/30/25/201353025.db2.gz UHMCKHPOKBIDCW-SECBINFHSA-N 1 2 328.325 1.297 20 5 EDBDLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000493259890 283727539 /nfs/dbraw/zinc/72/75/39/283727539.db2.gz IOPCRMUGJCCGNE-ONEGZZNKSA-N 1 2 328.332 1.075 20 5 EDBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)S1 ZINC000073118718 203256851 /nfs/dbraw/zinc/25/68/51/203256851.db2.gz IPJWJNUSKYIMDB-SECBINFHSA-N 1 2 340.430 1.905 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194764855 139000176 /nfs/dbraw/zinc/00/01/76/139000176.db2.gz NPGCDTSXFPDZSM-TXEJJXNPSA-N 1 2 336.392 1.358 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194764855 139000177 /nfs/dbraw/zinc/00/01/77/139000177.db2.gz NPGCDTSXFPDZSM-TXEJJXNPSA-N 1 2 336.392 1.358 20 5 EDBDLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000104730501 204116032 /nfs/dbraw/zinc/11/60/32/204116032.db2.gz RSXBBACHMFKALX-UHFFFAOYSA-N 1 2 346.387 1.620 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247204637 139140384 /nfs/dbraw/zinc/14/03/84/139140384.db2.gz UQDXUWIEUZCOES-CZUORRHYSA-N 1 2 348.403 1.328 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000175314097 207115603 /nfs/dbraw/zinc/11/56/03/207115603.db2.gz YAZKQPYSYRWCNN-UHFFFAOYSA-N 1 2 335.341 1.750 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000189741181 533008780 /nfs/dbraw/zinc/00/87/80/533008780.db2.gz ZVJDHVXYDYXPGP-NSHDSACASA-N 1 2 339.417 1.455 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263775068 139359568 /nfs/dbraw/zinc/35/95/68/139359568.db2.gz KRGFVDBTIUMNMX-UHFFFAOYSA-N 1 2 336.373 1.606 20 5 EDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488578505 255045254 /nfs/dbraw/zinc/04/52/54/255045254.db2.gz ODILILXLURWWCB-ZDUSSCGKSA-N 1 2 344.375 1.517 20 5 EDBDLO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488808077 255055679 /nfs/dbraw/zinc/05/56/79/255055679.db2.gz QSAVVMIRCOTLPR-UWVGGRQHSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488808077 255055681 /nfs/dbraw/zinc/05/56/81/255055681.db2.gz QSAVVMIRCOTLPR-UWVGGRQHSA-N 1 2 327.768 1.889 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000493929891 255226751 /nfs/dbraw/zinc/22/67/51/255226751.db2.gz HNWQCZNTBUPEPQ-JTQLQIEISA-N 1 2 325.369 1.427 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000493929891 255226752 /nfs/dbraw/zinc/22/67/52/255226752.db2.gz HNWQCZNTBUPEPQ-JTQLQIEISA-N 1 2 325.369 1.427 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493131232 255192972 /nfs/dbraw/zinc/19/29/72/255192972.db2.gz IZJNIZNRNOULGA-JTQLQIEISA-N 1 2 347.824 1.749 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493131232 255192973 /nfs/dbraw/zinc/19/29/73/255192973.db2.gz IZJNIZNRNOULGA-JTQLQIEISA-N 1 2 347.824 1.749 20 5 EDBDLO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000264206641 139386819 /nfs/dbraw/zinc/38/68/19/139386819.db2.gz FHBUYXZMXIVYPD-NEPJUHHUSA-N 1 2 346.387 1.915 20 5 EDBDLO NS(=O)(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000270555374 140123059 /nfs/dbraw/zinc/12/30/59/140123059.db2.gz JIYBJPJVXAMVKK-UHFFFAOYSA-N 1 2 347.824 1.749 20 5 EDBDLO Cc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1[N+](=O)[O-] ZINC000271262702 140266639 /nfs/dbraw/zinc/26/66/39/140266639.db2.gz LEBOKCIZJYHFFL-UHFFFAOYSA-N 1 2 334.405 1.659 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271403271 140291034 /nfs/dbraw/zinc/29/10/34/140291034.db2.gz WDKRBMIEFCISTA-SECBINFHSA-N 1 2 330.291 1.439 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271403271 140291036 /nfs/dbraw/zinc/29/10/36/140291036.db2.gz WDKRBMIEFCISTA-SECBINFHSA-N 1 2 330.291 1.439 20 5 EDBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998972 141108713 /nfs/dbraw/zinc/10/87/13/141108713.db2.gz NNTXQWKQLIGCLQ-XTAIUZINSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331998972 141108714 /nfs/dbraw/zinc/10/87/14/141108714.db2.gz NNTXQWKQLIGCLQ-XTAIUZINSA-N 1 2 342.417 1.177 20 5 EDBDLO Cc1ncc(C[NH+]2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)s1 ZINC000332083001 141119387 /nfs/dbraw/zinc/11/93/87/141119387.db2.gz AZDDGWXMMUWTET-UHFFFAOYSA-N 1 2 336.421 1.411 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347224351 143297148 /nfs/dbraw/zinc/29/71/48/143297148.db2.gz GLAGFWMGAPGICN-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347224351 143297149 /nfs/dbraw/zinc/29/71/49/143297149.db2.gz GLAGFWMGAPGICN-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347302412 143305793 /nfs/dbraw/zinc/30/57/93/143305793.db2.gz NDCPCYDKRNHXPN-SNVBAGLBSA-N 1 2 326.328 1.576 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000352568928 149066856 /nfs/dbraw/zinc/06/68/56/149066856.db2.gz IFLUYAYGFOYPDZ-JSGCOSHPSA-N 1 2 336.348 1.150 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000352568928 149066861 /nfs/dbraw/zinc/06/68/61/149066861.db2.gz IFLUYAYGFOYPDZ-JSGCOSHPSA-N 1 2 336.348 1.150 20 5 EDBDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680858 149115179 /nfs/dbraw/zinc/11/51/79/149115179.db2.gz VLXMIQKUHMUFBN-SWLSCSKDSA-N 1 2 340.376 1.202 20 5 EDBDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680858 149115181 /nfs/dbraw/zinc/11/51/81/149115181.db2.gz VLXMIQKUHMUFBN-SWLSCSKDSA-N 1 2 340.376 1.202 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000355055854 150094449 /nfs/dbraw/zinc/09/44/49/150094449.db2.gz QNKAOAFBZVSFKD-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000355055854 150094453 /nfs/dbraw/zinc/09/44/53/150094453.db2.gz QNKAOAFBZVSFKD-LLVKDONJSA-N 1 2 339.417 1.767 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000360494926 152068446 /nfs/dbraw/zinc/06/84/46/152068446.db2.gz ICXJQLBPEQMAEY-NSHDSACASA-N 1 2 338.389 1.714 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)nc2c1 ZINC000361427616 152392173 /nfs/dbraw/zinc/39/21/73/152392173.db2.gz UQEBOKYYJCIPHY-SECBINFHSA-N 1 2 326.303 1.921 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)nc2c1 ZINC000361427616 152392175 /nfs/dbraw/zinc/39/21/75/152392175.db2.gz UQEBOKYYJCIPHY-SECBINFHSA-N 1 2 326.303 1.921 20 5 EDBDLO Cc1nc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000363888410 153086252 /nfs/dbraw/zinc/08/62/52/153086252.db2.gz KIYZDZYPDYXERD-UHFFFAOYSA-N 1 2 333.392 1.218 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364956055 153382701 /nfs/dbraw/zinc/38/27/01/153382701.db2.gz RLHCHWBQXUQKHM-GHJWDPDVSA-N 1 2 346.387 1.428 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364956055 153382702 /nfs/dbraw/zinc/38/27/02/153382702.db2.gz RLHCHWBQXUQKHM-GHJWDPDVSA-N 1 2 346.387 1.428 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000367602960 154194956 /nfs/dbraw/zinc/19/49/56/154194956.db2.gz XDWRSYFTVBVLEU-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CCOCC2)CC1 ZINC000367602960 154194959 /nfs/dbraw/zinc/19/49/59/154194959.db2.gz XDWRSYFTVBVLEU-UHFFFAOYSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374372072 157264693 /nfs/dbraw/zinc/26/46/93/157264693.db2.gz BTRUWKDLAKTEPL-AWEZNQCLSA-N 1 2 328.328 1.482 20 5 EDBDLO COC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000377832607 158005130 /nfs/dbraw/zinc/00/51/30/158005130.db2.gz TYINKQHBHBCRKO-BQYQJAHWSA-N 1 2 347.371 1.315 20 5 EDBDLO COC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000377832607 158005132 /nfs/dbraw/zinc/00/51/32/158005132.db2.gz TYINKQHBHBCRKO-BQYQJAHWSA-N 1 2 347.371 1.315 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000353396316 162261418 /nfs/dbraw/zinc/26/14/18/162261418.db2.gz SQUQFMZBEOXCFR-HNNXBMFYSA-N 1 2 326.360 1.904 20 5 EDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000073900173 287265903 /nfs/dbraw/zinc/26/59/03/287265903.db2.gz UFHGTXOHGIVOHS-INIZCTEOSA-N 1 2 348.403 1.601 20 5 EDBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)C2 ZINC000122228583 222041912 /nfs/dbraw/zinc/04/19/12/222041912.db2.gz PVHBWXAKNRAOHO-UHFFFAOYSA-N 1 2 332.364 1.384 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000273614389 268064670 /nfs/dbraw/zinc/06/46/70/268064670.db2.gz MVFYEOYGSBYXEE-UHFFFAOYSA-N 1 2 343.343 1.361 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000276866500 268490082 /nfs/dbraw/zinc/49/00/82/268490082.db2.gz VHGJIIYIOKRSJB-GFCCVEGCSA-N 1 2 344.375 1.900 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000276866500 268490085 /nfs/dbraw/zinc/49/00/85/268490085.db2.gz VHGJIIYIOKRSJB-GFCCVEGCSA-N 1 2 344.375 1.900 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275608039 273112565 /nfs/dbraw/zinc/11/25/65/273112565.db2.gz SHXRUURABZQUNJ-NSHDSACASA-N 1 2 332.364 1.711 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000275996474 273141211 /nfs/dbraw/zinc/14/12/11/273141211.db2.gz PHXBYLZAJACWCD-NSHDSACASA-N 1 2 347.400 1.793 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000275996474 273141213 /nfs/dbraw/zinc/14/12/13/273141213.db2.gz PHXBYLZAJACWCD-NSHDSACASA-N 1 2 347.400 1.793 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277995022 273239652 /nfs/dbraw/zinc/23/96/52/273239652.db2.gz RNWSKTOROVZJJN-UHFFFAOYSA-N 1 2 335.360 1.198 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280097778 273345284 /nfs/dbraw/zinc/34/52/84/273345284.db2.gz AQCAQOHSAPBDKQ-UHFFFAOYSA-N 1 2 325.390 1.443 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280097778 273345286 /nfs/dbraw/zinc/34/52/86/273345286.db2.gz AQCAQOHSAPBDKQ-UHFFFAOYSA-N 1 2 325.390 1.443 20 5 EDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1CCOCC1 ZINC000284902190 274379989 /nfs/dbraw/zinc/37/99/89/274379989.db2.gz AKVBMMYZRGSSHY-UHFFFAOYSA-N 1 2 336.392 1.111 20 5 EDBDLO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000367531057 276200362 /nfs/dbraw/zinc/20/03/62/276200362.db2.gz LJGUUJNYJMFFKQ-ZDUSSCGKSA-N 1 2 348.403 1.152 20 5 EDBDLO CCN1CCO[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363959290 276393149 /nfs/dbraw/zinc/39/31/49/276393149.db2.gz GSLROAPSLGMBNN-HNNXBMFYSA-N 1 2 334.420 1.438 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000286476844 288015379 /nfs/dbraw/zinc/01/53/79/288015379.db2.gz OBZKEEVJCVSGOK-NWDGAFQWSA-N 1 2 346.330 1.691 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000286476844 288015381 /nfs/dbraw/zinc/01/53/81/288015381.db2.gz OBZKEEVJCVSGOK-NWDGAFQWSA-N 1 2 346.330 1.691 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126660183 279375283 /nfs/dbraw/zinc/37/52/83/279375283.db2.gz DAXJXRLFYJCLOC-PVBMHHQDSA-N 1 2 347.824 1.886 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126660183 279375285 /nfs/dbraw/zinc/37/52/85/279375285.db2.gz DAXJXRLFYJCLOC-PVBMHHQDSA-N 1 2 347.824 1.886 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287195211 288177847 /nfs/dbraw/zinc/17/78/47/288177847.db2.gz HTSXLRKMQIQESK-STQMWFEESA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000291491749 289083376 /nfs/dbraw/zinc/08/33/76/289083376.db2.gz RGHMXPBQDBVDGI-CZUORRHYSA-N 1 2 333.388 1.838 20 5 EDBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299002383 289774805 /nfs/dbraw/zinc/77/48/05/289774805.db2.gz UBCSSGHMJMSRIR-UHFFFAOYSA-N 1 2 328.325 1.288 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000332560263 295286472 /nfs/dbraw/zinc/28/64/72/295286472.db2.gz VVAVDHIXJMWXFP-QWHCGFSZSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1cccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000332560263 295286474 /nfs/dbraw/zinc/28/64/74/295286474.db2.gz VVAVDHIXJMWXFP-QWHCGFSZSA-N 1 2 335.360 1.149 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339955022 297126544 /nfs/dbraw/zinc/12/65/44/297126544.db2.gz LMDAXMQJRQWXGC-CYBMUJFWSA-N 1 2 335.404 1.709 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339955022 297126545 /nfs/dbraw/zinc/12/65/45/297126545.db2.gz LMDAXMQJRQWXGC-CYBMUJFWSA-N 1 2 335.404 1.709 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172302518 298196109 /nfs/dbraw/zinc/19/61/09/298196109.db2.gz OSLWOQIOYXUFBK-OLZOCXBDSA-N 1 2 337.376 1.395 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OCCO)C1 ZINC000172302518 298196113 /nfs/dbraw/zinc/19/61/13/298196113.db2.gz OSLWOQIOYXUFBK-OLZOCXBDSA-N 1 2 337.376 1.395 20 5 EDBDLO C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000420605946 304770290 /nfs/dbraw/zinc/77/02/90/304770290.db2.gz WTPUMJISAIWZBQ-SMDDNHRTSA-N 1 2 329.360 1.978 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293741161 303012248 /nfs/dbraw/zinc/01/22/48/303012248.db2.gz HSCKHFAFXAANIO-TXEJJXNPSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293741161 303012249 /nfs/dbraw/zinc/01/22/49/303012249.db2.gz HSCKHFAFXAANIO-TXEJJXNPSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1C ZINC000293796103 303020079 /nfs/dbraw/zinc/02/00/79/303020079.db2.gz MZDPWFSMVYJQDZ-TXEJJXNPSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1C ZINC000293796103 303020080 /nfs/dbraw/zinc/02/00/80/303020080.db2.gz MZDPWFSMVYJQDZ-TXEJJXNPSA-N 1 2 341.433 1.925 20 5 EDBDLO COC(=O)Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000294578205 303126409 /nfs/dbraw/zinc/12/64/09/303126409.db2.gz PVYAWOPDPKSSTG-UHFFFAOYSA-N 1 2 347.375 1.770 20 5 EDBDLO COC(=O)Cn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000294578205 303126410 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CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433470577 305110307 /nfs/dbraw/zinc/11/03/07/305110307.db2.gz OEISWGACRHTLLD-HNNXBMFYSA-N 1 2 343.387 1.766 20 5 EDBDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000447389087 305279545 /nfs/dbraw/zinc/27/95/45/305279545.db2.gz YFSYBTZMEVAOQE-CHWSQXEVSA-N 1 2 342.367 1.580 20 5 EDBDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000447389087 305279546 /nfs/dbraw/zinc/27/95/46/305279546.db2.gz YFSYBTZMEVAOQE-CHWSQXEVSA-N 1 2 342.367 1.580 20 5 EDBDLO CC[C@@H](C)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450167150 305326584 /nfs/dbraw/zinc/32/65/84/305326584.db2.gz BPOORLBQYNBCOM-IAQYHMDHSA-N 1 2 332.360 1.917 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427553 305345598 /nfs/dbraw/zinc/34/55/98/305345598.db2.gz JQASNGCXVDRQNE-XPTSAGLGSA-N 1 2 329.303 1.624 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427553 305345599 /nfs/dbraw/zinc/34/55/99/305345599.db2.gz JQASNGCXVDRQNE-XPTSAGLGSA-N 1 2 329.303 1.624 20 5 EDBDLO CC(C)[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452170464 305385581 /nfs/dbraw/zinc/38/55/81/305385581.db2.gz ZPOLUMMAUOIDML-INIZCTEOSA-N 1 2 332.360 1.917 20 5 EDBDLO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC(=O)N1 ZINC000457197270 305484355 /nfs/dbraw/zinc/48/43/55/305484355.db2.gz BOJPXZGXZVJDIG-MRXNPFEDSA-N 1 2 343.343 1.179 20 5 EDBDLO CO[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000536666953 306024761 /nfs/dbraw/zinc/02/47/61/306024761.db2.gz VJJXQYUEDFSPNH-UONOGXRCSA-N 1 2 333.344 1.338 20 5 EDBDLO CO[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000536666953 306024762 /nfs/dbraw/zinc/02/47/62/306024762.db2.gz VJJXQYUEDFSPNH-UONOGXRCSA-N 1 2 333.344 1.338 20 5 EDBDLO 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/nfs/dbraw/zinc/77/32/58/441773258.db2.gz CUXBTBOHLSAHNK-LLVKDONJSA-N 1 2 333.348 1.359 20 5 EDBDLO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000117288981 441867351 /nfs/dbraw/zinc/86/73/51/441867351.db2.gz DGEWJEBBPJFJFA-NSHDSACASA-N 1 2 325.340 1.527 20 5 EDBDLO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000117288981 441867356 /nfs/dbraw/zinc/86/73/56/441867356.db2.gz DGEWJEBBPJFJFA-NSHDSACASA-N 1 2 325.340 1.527 20 5 EDBDLO CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000068576350 441826855 /nfs/dbraw/zinc/82/68/55/441826855.db2.gz DZAVIBWMPZIIBI-LBPRGKRZSA-N 1 2 348.403 1.865 20 5 EDBDLO CC(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078404515 441929858 /nfs/dbraw/zinc/92/98/58/441929858.db2.gz KWCLZXKPOIEBAW-CQSZACIVSA-N 1 2 333.388 1.956 20 5 EDBDLO CC1(C)C[N@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000170640488 442240514 /nfs/dbraw/zinc/24/05/14/442240514.db2.gz BGMUPTSTZFPZEW-UHFFFAOYSA-N 1 2 347.375 1.354 20 5 EDBDLO CC1(C)C[N@@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCO1 ZINC000170640488 442240519 /nfs/dbraw/zinc/24/05/19/442240519.db2.gz BGMUPTSTZFPZEW-UHFFFAOYSA-N 1 2 347.375 1.354 20 5 EDBDLO C[C@H](NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)N(C)C ZINC000153255387 442270933 /nfs/dbraw/zinc/27/09/33/442270933.db2.gz GCLLTQDGKHMYES-LBPRGKRZSA-N 1 2 348.403 1.152 20 5 EDBDLO C[C@H](NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)N(C)C ZINC000153255387 442270936 /nfs/dbraw/zinc/27/09/36/442270936.db2.gz GCLLTQDGKHMYES-LBPRGKRZSA-N 1 2 348.403 1.152 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000170866794 442280180 /nfs/dbraw/zinc/28/01/80/442280180.db2.gz HTMISDIHEJZRBC-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000170866794 442280182 /nfs/dbraw/zinc/28/01/82/442280182.db2.gz HTMISDIHEJZRBC-UHFFFAOYSA-N 1 2 325.340 1.575 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153690062 442296811 /nfs/dbraw/zinc/29/68/11/442296811.db2.gz NQRJSFWQWWBOGX-GFCCVEGCSA-N 1 2 346.387 1.456 20 5 EDBDLO NC(=O)C1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000177125695 442300785 /nfs/dbraw/zinc/30/07/85/442300785.db2.gz KAGCAQLLRNYINE-UHFFFAOYSA-N 1 2 345.359 1.923 20 5 EDBDLO C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154173930 442324904 /nfs/dbraw/zinc/32/49/04/442324904.db2.gz LLCUUYAEZLJZFN-DGCLKSJQSA-N 1 2 346.343 1.002 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000177728854 442377306 /nfs/dbraw/zinc/37/73/06/442377306.db2.gz OLIMGPWUPPJUIY-UHFFFAOYSA-N 1 2 338.370 1.783 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157914759 442626637 /nfs/dbraw/zinc/62/66/37/442626637.db2.gz DBABNLVTEGIIPW-RNCFNFMXSA-N 1 2 327.768 1.697 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157914759 442626651 /nfs/dbraw/zinc/62/66/51/442626651.db2.gz DBABNLVTEGIIPW-RNCFNFMXSA-N 1 2 327.768 1.697 20 5 EDBDLO COCC[N@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181500907 442700439 /nfs/dbraw/zinc/70/04/39/442700439.db2.gz AXJRBGWXYXCKBD-UHFFFAOYSA-N 1 2 337.423 1.050 20 5 EDBDLO COCC[N@@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181500907 442700442 /nfs/dbraw/zinc/70/04/42/442700442.db2.gz AXJRBGWXYXCKBD-UHFFFAOYSA-N 1 2 337.423 1.050 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000181552051 442703295 /nfs/dbraw/zinc/70/32/95/442703295.db2.gz QYUBDEBJWYEAIE-CYBMUJFWSA-N 1 2 328.390 1.215 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000181552051 442703296 /nfs/dbraw/zinc/70/32/96/442703296.db2.gz QYUBDEBJWYEAIE-CYBMUJFWSA-N 1 2 328.390 1.215 20 5 EDBDLO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C(N)=O)C1 ZINC000187389880 442673369 /nfs/dbraw/zinc/67/33/69/442673369.db2.gz CPSGYQPQXBFNOK-NHYWBVRUSA-N 1 2 346.387 1.070 20 5 EDBDLO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C(N)=O)C1 ZINC000187389880 442673371 /nfs/dbraw/zinc/67/33/71/442673371.db2.gz CPSGYQPQXBFNOK-NHYWBVRUSA-N 1 2 346.387 1.070 20 5 EDBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182328746 442757764 /nfs/dbraw/zinc/75/77/64/442757764.db2.gz GSYABJUUBBHRSY-JSGCOSHPSA-N 1 2 347.375 1.300 20 5 EDBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182328746 442757765 /nfs/dbraw/zinc/75/77/65/442757765.db2.gz GSYABJUUBBHRSY-JSGCOSHPSA-N 1 2 347.375 1.300 20 5 EDBDLO CCOC(=O)c1ccnc(N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265559198 442823660 /nfs/dbraw/zinc/82/36/60/442823660.db2.gz IWPJULKERSWNJR-LLVKDONJSA-N 1 2 338.364 1.299 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268716690 443087377 /nfs/dbraw/zinc/08/73/77/443087377.db2.gz UWBMOFWMNZYHHW-RDJZCZTQSA-N 1 2 346.387 1.616 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000268716690 443087382 /nfs/dbraw/zinc/08/73/82/443087382.db2.gz UWBMOFWMNZYHHW-RDJZCZTQSA-N 1 2 346.387 1.616 20 5 EDBDLO CN1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000190128176 443061133 /nfs/dbraw/zinc/06/11/33/443061133.db2.gz POLQFLURMZTTFU-GFCCVEGCSA-N 1 2 343.343 1.131 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413043698 319259085 /nfs/dbraw/zinc/25/90/85/319259085.db2.gz JTYKUZQDCAKGBH-UHFFFAOYSA-N 1 2 343.387 1.401 20 5 EDBDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cn1 ZINC000273191788 443558664 /nfs/dbraw/zinc/55/86/64/443558664.db2.gz PWAQVRHZUJOACK-ZDUSSCGKSA-N 1 2 349.416 1.956 20 5 EDBDLO COC[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273376186 443568693 /nfs/dbraw/zinc/56/86/93/443568693.db2.gz SFKFMPHBEMNZEJ-GFCCVEGCSA-N 1 2 328.390 1.337 20 5 EDBDLO COC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273376186 443568696 /nfs/dbraw/zinc/56/86/96/443568696.db2.gz 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CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000283432778 443631113 /nfs/dbraw/zinc/63/11/13/443631113.db2.gz JISVSLCGMNEIAR-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000443770947 320113247 /nfs/dbraw/zinc/11/32/47/320113247.db2.gz KAKBGJRJSFZKKZ-UHFFFAOYSA-N 1 2 345.446 1.063 20 5 EDBDLO O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449981544 320206511 /nfs/dbraw/zinc/20/65/11/320206511.db2.gz YEUCAVDZECOREI-WCQYABFASA-N 1 2 328.328 1.447 20 5 EDBDLO COc1cccc(N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000280139340 443671240 /nfs/dbraw/zinc/67/12/40/443671240.db2.gz BTJCOWFBTLYNFM-CYBMUJFWSA-N 1 2 331.376 1.830 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280260505 443685304 /nfs/dbraw/zinc/68/53/04/443685304.db2.gz CIUUFPUXQWWDCI-GUYCJALGSA-N 1 2 349.387 1.437 20 5 EDBDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280260505 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C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000305886646 444284611 /nfs/dbraw/zinc/28/46/11/444284611.db2.gz YKYYLLLKWRFZDA-DGCLKSJQSA-N 1 2 330.344 1.623 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(O)(CO)CC1 ZINC000313640387 444297229 /nfs/dbraw/zinc/29/72/29/444297229.db2.gz PGKCHVHNKXZWSD-UHFFFAOYSA-N 1 2 345.193 1.677 20 5 EDBDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298100950 444416644 /nfs/dbraw/zinc/41/66/44/444416644.db2.gz LKSLRKRLYSOSAS-UHFFFAOYSA-N 1 2 339.348 1.473 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331148041 444417866 /nfs/dbraw/zinc/41/78/66/444417866.db2.gz MWEABMCMNDJUJC-UHFFFAOYSA-N 1 2 343.330 1.934 20 5 EDBDLO CC1CCN(C(=O)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000298025763 444390600 /nfs/dbraw/zinc/39/06/00/444390600.db2.gz FFYGBWKUEIGNRS-UHFFFAOYSA-N 1 2 347.419 1.370 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148062 444534796 /nfs/dbraw/zinc/53/47/96/444534796.db2.gz GROHSNSMTPFVLL-GJZGRUSLSA-N 1 2 331.376 1.376 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148062 444534800 /nfs/dbraw/zinc/53/48/00/444534800.db2.gz GROHSNSMTPFVLL-GJZGRUSLSA-N 1 2 331.376 1.376 20 5 EDBDLO CN1CCO[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148062 444534805 /nfs/dbraw/zinc/53/48/05/444534805.db2.gz GROHSNSMTPFVLL-GJZGRUSLSA-N 1 2 331.376 1.376 20 5 EDBDLO CN1CCO[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000342148062 444534808 /nfs/dbraw/zinc/53/48/08/444534808.db2.gz GROHSNSMTPFVLL-GJZGRUSLSA-N 1 2 331.376 1.376 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338256068 444591118 /nfs/dbraw/zinc/59/11/18/444591118.db2.gz IESVHHYXXGITBX-GFCCVEGCSA-N 1 2 349.778 1.768 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340982148 444613721 /nfs/dbraw/zinc/61/37/21/444613721.db2.gz ZCUSQUNPXLYTHX-CQSZACIVSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340982148 444613723 /nfs/dbraw/zinc/61/37/23/444613723.db2.gz ZCUSQUNPXLYTHX-CQSZACIVSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000341374842 444801565 /nfs/dbraw/zinc/80/15/65/444801565.db2.gz QWQBINUXQVYRAQ-HOTGVXAUSA-N 1 2 348.403 1.518 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000341374842 444801566 /nfs/dbraw/zinc/80/15/66/444801566.db2.gz QWQBINUXQVYRAQ-HOTGVXAUSA-N 1 2 348.403 1.518 20 5 EDBDLO CN(C)c1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000338680571 444805414 /nfs/dbraw/zinc/80/54/14/444805414.db2.gz ZMUUFYAWQVODHC-UHFFFAOYSA-N 1 2 332.364 1.304 20 5 EDBDLO Cc1cc(N2C[C@H](C)[C@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000344334001 444903458 /nfs/dbraw/zinc/90/34/58/444903458.db2.gz FHAQZPWQTQWLAD-IINYFYTJSA-N 1 2 341.371 1.918 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1=O ZINC000337024189 444905503 /nfs/dbraw/zinc/90/55/03/444905503.db2.gz UJPCVHHHHXEGIN-VIFPVBQESA-N 1 2 336.377 1.388 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNc2ccc([N+](=O)[O-])nc2)nc[nH+]1 ZINC000344423420 444959589 /nfs/dbraw/zinc/95/95/89/444959589.db2.gz RPWBIBOUKUDVIE-GFCCVEGCSA-N 1 2 329.364 1.902 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNc2ccc([N+](=O)[O-])nc2)[nH+]cn1 ZINC000344423420 444959593 /nfs/dbraw/zinc/95/95/93/444959593.db2.gz RPWBIBOUKUDVIE-GFCCVEGCSA-N 1 2 329.364 1.902 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000339067984 445016819 /nfs/dbraw/zinc/01/68/19/445016819.db2.gz OUJOGYHPNNZCTD-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339265440 445123799 /nfs/dbraw/zinc/12/37/99/445123799.db2.gz QOECTANNXPWCOG-ZUZCIYMTSA-N 1 2 345.359 1.243 20 5 EDBDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339265440 445123800 /nfs/dbraw/zinc/12/38/00/445123800.db2.gz QOECTANNXPWCOG-ZUZCIYMTSA-N 1 2 345.359 1.243 20 5 EDBDLO CC(C)c1nnc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000348412174 445281648 /nfs/dbraw/zinc/28/16/48/445281648.db2.gz QORWXOVRNHZDPV-LBPRGKRZSA-N 1 2 336.352 1.371 20 5 EDBDLO CC(C)c1nnc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000348412174 445281653 /nfs/dbraw/zinc/28/16/53/445281653.db2.gz QORWXOVRNHZDPV-LBPRGKRZSA-N 1 2 336.352 1.371 20 5 EDBDLO CN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000348127456 445282258 /nfs/dbraw/zinc/28/22/58/445282258.db2.gz SABMGKMFODDBQI-GFCCVEGCSA-N 1 2 329.784 1.235 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000348294197 445341198 /nfs/dbraw/zinc/34/11/98/445341198.db2.gz QGPUYELMADZEQA-UHFFFAOYSA-N 1 2 344.327 1.045 20 5 EDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCC3CC3)CC2)c1 ZINC000359851428 445460322 /nfs/dbraw/zinc/46/03/22/445460322.db2.gz LZROCMYKGIBKAJ-UHFFFAOYSA-N 1 2 339.417 1.701 20 5 EDBDLO CN(C)c1cc2c(nn1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000363496996 445832184 /nfs/dbraw/zinc/83/21/84/445832184.db2.gz UXCRMPBAABSWDE-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO CN(C)c1cc2c(nn1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000363496996 445832188 /nfs/dbraw/zinc/83/21/88/445832188.db2.gz UXCRMPBAABSWDE-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC000363512940 445838798 /nfs/dbraw/zinc/83/87/98/445838798.db2.gz VMTCLLNXBHUWPU-ZIAGYGMSSA-N 1 2 336.392 1.285 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350872094 445935986 /nfs/dbraw/zinc/93/59/86/445935986.db2.gz UITKUVDXDNUQCS-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350872094 445935990 /nfs/dbraw/zinc/93/59/90/445935990.db2.gz UITKUVDXDNUQCS-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)n1 ZINC000359090417 445938917 /nfs/dbraw/zinc/93/89/17/445938917.db2.gz FPPXGCKOPYTIGK-UHFFFAOYSA-N 1 2 342.359 1.681 20 5 EDBDLO C[C@H]1C[NH+](CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H](C)O1 ZINC000583333692 326053486 /nfs/dbraw/zinc/05/34/86/326053486.db2.gz YZMVGZLXBLHAOY-QWRGUYRKSA-N 1 2 333.344 1.300 20 5 EDBDLO O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000373247679 446121926 /nfs/dbraw/zinc/12/19/26/446121926.db2.gz RZWLBYXHCNATSE-INIZCTEOSA-N 1 2 349.343 1.109 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000373247679 446121935 /nfs/dbraw/zinc/12/19/35/446121935.db2.gz RZWLBYXHCNATSE-INIZCTEOSA-N 1 2 349.343 1.109 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000354419158 446191401 /nfs/dbraw/zinc/19/14/01/446191401.db2.gz WSGKVQFEKSKTRZ-UHFFFAOYSA-N 1 2 345.359 1.285 20 5 EDBDLO Cc1nc(CO[C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000374876715 446430027 /nfs/dbraw/zinc/43/00/27/446430027.db2.gz KPAYEXVYHHTEGL-LBPRGKRZSA-N 1 2 337.405 1.884 20 5 EDBDLO Cc1nc(CO[C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000374876715 446430029 /nfs/dbraw/zinc/43/00/29/446430029.db2.gz KPAYEXVYHHTEGL-LBPRGKRZSA-N 1 2 337.405 1.884 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000371163583 446664495 /nfs/dbraw/zinc/66/44/95/446664495.db2.gz GOXIKYMJAFILQN-DOMZBBRYSA-N 1 2 338.314 1.877 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000371163583 446664498 /nfs/dbraw/zinc/66/44/98/446664498.db2.gz GOXIKYMJAFILQN-DOMZBBRYSA-N 1 2 338.314 1.877 20 5 EDBDLO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000619253389 450435190 /nfs/dbraw/zinc/43/51/90/450435190.db2.gz WRYXDSLWTSPSPP-JQWIXIFHSA-N 1 2 339.371 1.529 20 5 EDBDLO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000619253389 450435192 /nfs/dbraw/zinc/43/51/92/450435192.db2.gz WRYXDSLWTSPSPP-JQWIXIFHSA-N 1 2 339.371 1.529 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000377217194 447000435 /nfs/dbraw/zinc/00/04/35/447000435.db2.gz XPQJQVZSMYADQI-PXAZEXFGSA-N 1 2 349.387 1.464 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000377217194 447000440 /nfs/dbraw/zinc/00/04/40/447000440.db2.gz XPQJQVZSMYADQI-PXAZEXFGSA-N 1 2 349.387 1.464 20 5 EDBDLO COC(=O)C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413182954 447054824 /nfs/dbraw/zinc/05/48/24/447054824.db2.gz UHBUCBGVIBSLQC-CYBMUJFWSA-N 1 2 331.328 1.911 20 5 EDBDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000368741403 447077967 /nfs/dbraw/zinc/07/79/67/447077967.db2.gz MBGLBOMBFWXNEN-GFCCVEGCSA-N 1 2 347.331 1.293 20 5 EDBDLO NC(=O)c1noc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000368741403 447077972 /nfs/dbraw/zinc/07/79/72/447077972.db2.gz MBGLBOMBFWXNEN-GFCCVEGCSA-N 1 2 347.331 1.293 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413232811 447083073 /nfs/dbraw/zinc/08/30/73/447083073.db2.gz HCPDHHAUZZSNNI-NSHDSACASA-N 1 2 332.339 1.630 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413232811 447083080 /nfs/dbraw/zinc/08/30/80/447083080.db2.gz HCPDHHAUZZSNNI-NSHDSACASA-N 1 2 332.339 1.630 20 5 EDBDLO C[C@@H](O)CNc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc[nH+]1 ZINC000413314391 447135225 /nfs/dbraw/zinc/13/52/25/447135225.db2.gz TURAUPCOSHKUBB-LLVKDONJSA-N 1 2 345.359 1.577 20 5 EDBDLO C[C@@H](O)CNc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)[nH+]cn1 ZINC000413314391 447135229 /nfs/dbraw/zinc/13/52/29/447135229.db2.gz TURAUPCOSHKUBB-LLVKDONJSA-N 1 2 345.359 1.577 20 5 EDBDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000421391905 447147732 /nfs/dbraw/zinc/14/77/32/447147732.db2.gz PZCYYTGHYFPIRR-NSHDSACASA-N 1 2 329.303 1.907 20 5 EDBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000421391905 447147739 /nfs/dbraw/zinc/14/77/39/447147739.db2.gz PZCYYTGHYFPIRR-NSHDSACASA-N 1 2 329.303 1.907 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000372614430 447184271 /nfs/dbraw/zinc/18/42/71/447184271.db2.gz UCEGSRNWVBAIQB-HNNXBMFYSA-N 1 2 339.323 1.817 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000372614430 447184276 /nfs/dbraw/zinc/18/42/76/447184276.db2.gz UCEGSRNWVBAIQB-HNNXBMFYSA-N 1 2 339.323 1.817 20 5 EDBDLO CC(C)(C)n1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000376036659 447226425 /nfs/dbraw/zinc/22/64/25/447226425.db2.gz YXTDNODHVMMUSV-UHFFFAOYSA-N 1 2 333.396 1.975 20 5 EDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000428341020 447690851 /nfs/dbraw/zinc/69/08/51/447690851.db2.gz MISSFSXCMIVGNP-JTQLQIEISA-N 1 2 330.300 1.265 20 5 EDBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000570381574 447998263 /nfs/dbraw/zinc/99/82/63/447998263.db2.gz WIEHRFNPIDEGBL-UHFFFAOYSA-N 1 2 339.417 1.701 20 5 EDBDLO CCNc1nc(NC(C)(C)C)nc(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000553008384 447967384 /nfs/dbraw/zinc/96/73/84/447967384.db2.gz HAPURUQVUNUZQS-UHFFFAOYSA-N 1 2 345.407 1.878 20 5 EDBDLO CCNc1nc(NCc2cccc([N+](=O)[O-])c2)nc(NC(C)(C)C)[nH+]1 ZINC000553008384 447967391 /nfs/dbraw/zinc/96/73/91/447967391.db2.gz HAPURUQVUNUZQS-UHFFFAOYSA-N 1 2 345.407 1.878 20 5 EDBDLO CCNc1nc(NCc2cccc([N+](=O)[O-])c2)[nH+]c(NC(C)(C)C)n1 ZINC000553008384 447967395 /nfs/dbraw/zinc/96/73/95/447967395.db2.gz HAPURUQVUNUZQS-UHFFFAOYSA-N 1 2 345.407 1.878 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000582802018 448344392 /nfs/dbraw/zinc/34/43/92/448344392.db2.gz UXYIFDADWCYALK-VIFPVBQESA-N 1 2 345.446 1.956 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000582802018 448344396 /nfs/dbraw/zinc/34/43/96/448344396.db2.gz UXYIFDADWCYALK-VIFPVBQESA-N 1 2 345.446 1.956 20 5 EDBDLO NS(=O)(=O)c1c(NCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000515582364 448331326 /nfs/dbraw/zinc/33/13/26/448331326.db2.gz DCCWNDJLXZDFDL-UHFFFAOYSA-N 1 2 337.361 1.161 20 5 EDBDLO COC(=O)Cc1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000578148858 448473366 /nfs/dbraw/zinc/47/33/66/448473366.db2.gz HMDIYUJEHWRKFH-LBPRGKRZSA-N 1 2 337.376 1.443 20 5 EDBDLO COC(=O)Cc1ccc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000578148858 448473370 /nfs/dbraw/zinc/47/33/70/448473370.db2.gz HMDIYUJEHWRKFH-LBPRGKRZSA-N 1 2 337.376 1.443 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000540117881 448630496 /nfs/dbraw/zinc/63/04/96/448630496.db2.gz UDEAHVNIRUUVEI-UHFFFAOYSA-N 1 2 335.389 1.348 20 5 EDBDLO Nc1nccc(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000548091323 448982590 /nfs/dbraw/zinc/98/25/90/448982590.db2.gz SULFMIMEGLMLPT-UHFFFAOYSA-N 1 2 330.348 1.589 20 5 EDBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000548347228 449028463 /nfs/dbraw/zinc/02/84/63/449028463.db2.gz PQVOSRMULGWTFC-ZDUSSCGKSA-N 1 2 332.364 1.175 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000597942005 449152308 /nfs/dbraw/zinc/15/23/08/449152308.db2.gz VTVZMVPCEHSBBC-UHFFFAOYSA-N 1 2 344.375 1.736 20 5 EDBDLO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000593726777 449161195 /nfs/dbraw/zinc/16/11/95/449161195.db2.gz WGBZNNWQEYVRCQ-CYBMUJFWSA-N 1 2 332.364 1.188 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000590601247 449215370 /nfs/dbraw/zinc/21/53/70/449215370.db2.gz RWHCDIYAEHKGAO-UHFFFAOYSA-N 1 2 326.316 1.926 20 5 EDBDLO COc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597996909 449181452 /nfs/dbraw/zinc/18/14/52/449181452.db2.gz RDHWVXHLQWYRFB-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000597996909 449181459 /nfs/dbraw/zinc/18/14/59/449181459.db2.gz RDHWVXHLQWYRFB-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO CNS(=O)(=O)c1ccc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000590568068 449194915 /nfs/dbraw/zinc/19/49/15/449194915.db2.gz NWFRXUORJXYXGG-MRVPVSSYSA-N 1 2 325.350 1.399 20 5 EDBDLO C[C@]1(C(F)F)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595916861 449251875 /nfs/dbraw/zinc/25/18/75/449251875.db2.gz PECHXWAGWRBDOI-IUODEOHRSA-N 1 2 346.330 1.691 20 5 EDBDLO C[C@]1(C(F)F)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595916861 449251881 /nfs/dbraw/zinc/25/18/81/449251881.db2.gz PECHXWAGWRBDOI-IUODEOHRSA-N 1 2 346.330 1.691 20 5 EDBDLO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076961 449351177 /nfs/dbraw/zinc/35/11/77/449351177.db2.gz DVKBOUAQHQUPPI-LBPRGKRZSA-N 1 2 335.408 1.132 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596109867 449365734 /nfs/dbraw/zinc/36/57/34/449365734.db2.gz FOCAOYCMCPGVCG-SNVBAGLBSA-N 1 2 344.209 1.860 20 5 EDBDLO NC(=O)c1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596055906 449339441 /nfs/dbraw/zinc/33/94/41/449339441.db2.gz OLXDRGSZFWCITG-UHFFFAOYSA-N 1 2 327.344 1.415 20 5 EDBDLO Cn1cc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602436350 449585066 /nfs/dbraw/zinc/58/50/66/449585066.db2.gz NWQVWJFSVIVZIL-UHFFFAOYSA-N 1 2 345.403 1.797 20 5 EDBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602436350 449585072 /nfs/dbraw/zinc/58/50/72/449585072.db2.gz NWQVWJFSVIVZIL-UHFFFAOYSA-N 1 2 345.403 1.797 20 5 EDBDLO CO[C@](C)(CO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594588167 449585407 /nfs/dbraw/zinc/58/54/07/449585407.db2.gz DDWFZFZJXBZFTP-INIZCTEOSA-N 1 2 332.360 1.591 20 5 EDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598946949 449664348 /nfs/dbraw/zinc/66/43/48/449664348.db2.gz JGRIHBURUWIMMQ-QMMMGPOBSA-N 1 2 338.270 1.747 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598947617 449665437 /nfs/dbraw/zinc/66/54/37/449665437.db2.gz LYJKUILBTHXVHY-CYBMUJFWSA-N 1 2 344.371 2.000 20 5 EDBDLO COC(=O)[C@@H](O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599057514 449713053 /nfs/dbraw/zinc/71/30/53/449713053.db2.gz FVJVWNCHBQTJRZ-INIZCTEOSA-N 1 2 345.355 1.893 20 5 EDBDLO O=[N+]([O-])c1c(N[C@H]2CCc3nnnn3CC2)ccc2c[nH+]ccc21 ZINC000599090091 449726720 /nfs/dbraw/zinc/72/67/20/449726720.db2.gz IQEBGIIMPDWCRR-NSHDSACASA-N 1 2 325.332 1.947 20 5 EDBDLO Cc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183073 449783141 /nfs/dbraw/zinc/78/31/41/449783141.db2.gz FWQZQISXWSWKPM-HNNXBMFYSA-N 1 2 343.387 2.006 20 5 EDBDLO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183073 449783144 /nfs/dbraw/zinc/78/31/44/449783144.db2.gz FWQZQISXWSWKPM-HNNXBMFYSA-N 1 2 343.387 2.006 20 5 EDBDLO O=c1[nH]ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599183872 449785145 /nfs/dbraw/zinc/78/51/45/449785145.db2.gz CGHHAGHFJDTVMC-ZDUSSCGKSA-N 1 2 345.359 1.403 20 5 EDBDLO O=c1[nH]ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599183872 449785149 /nfs/dbraw/zinc/78/51/49/449785149.db2.gz CGHHAGHFJDTVMC-ZDUSSCGKSA-N 1 2 345.359 1.403 20 5 EDBDLO COC(=O)C[C@@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599161848 449771255 /nfs/dbraw/zinc/77/12/55/449771255.db2.gz CMUNXZFNCZWYHZ-CYBMUJFWSA-N 1 2 346.343 1.118 20 5 EDBDLO CCc1nn(C)c(N2CC[NH+](CCc3cnccn3)CC2)c1[N+](=O)[O-] ZINC000601253276 449775102 /nfs/dbraw/zinc/77/51/02/449775102.db2.gz IVCNPQWCURMYRB-UHFFFAOYSA-N 1 2 345.407 1.045 20 5 EDBDLO COC(=O)CCNC(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599169452 449776123 /nfs/dbraw/zinc/77/61/23/449776123.db2.gz FXFLPLMPSPCRNP-UHFFFAOYSA-N 1 2 346.343 1.624 20 5 EDBDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594964924 449822749 /nfs/dbraw/zinc/82/27/49/449822749.db2.gz DJEOEWAEZDOXQO-RYUDHWBXSA-N 1 2 334.781 1.150 20 5 EDBDLO Cc1nc(CN2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)oc1C ZINC000602772687 449795677 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1.988 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603184927 450124694 /nfs/dbraw/zinc/12/46/94/450124694.db2.gz BQAIEPLBOIOPCW-ZDUSSCGKSA-N 1 2 331.376 1.670 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000601738734 450204741 /nfs/dbraw/zinc/20/47/41/450204741.db2.gz YVVKMJMOFUMRBC-OAHLLOKOSA-N 1 2 349.387 1.347 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000601738734 450204746 /nfs/dbraw/zinc/20/47/46/450204746.db2.gz YVVKMJMOFUMRBC-OAHLLOKOSA-N 1 2 349.387 1.347 20 5 EDBDLO COC1(CO)CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000618551700 450240347 /nfs/dbraw/zinc/24/03/47/450240347.db2.gz LFAIPOWDJXJHMC-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO COc1cc(Cn2cc[nH+]c2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000603421161 450294141 /nfs/dbraw/zinc/29/41/41/450294141.db2.gz UGNZVZSQYKPLJQ-UHFFFAOYSA-N 1 2 332.360 1.680 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610907596 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347.375 1.862 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000759426851 580005447 /nfs/dbraw/zinc/00/54/47/580005447.db2.gz XYLRLDQBCWHVNB-SNVBAGLBSA-N 1 2 326.740 1.007 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000759426851 580005448 /nfs/dbraw/zinc/00/54/48/580005448.db2.gz XYLRLDQBCWHVNB-SNVBAGLBSA-N 1 2 326.740 1.007 20 5 EDBDLO COC(=O)[C@@]1(C)CC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759754441 580014009 /nfs/dbraw/zinc/01/40/09/580014009.db2.gz GLJMZCSTQWUZRO-INIZCTEOSA-N 1 2 347.327 1.033 20 5 EDBDLO COC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000759754441 580014010 /nfs/dbraw/zinc/01/40/10/580014010.db2.gz GLJMZCSTQWUZRO-INIZCTEOSA-N 1 2 347.327 1.033 20 5 EDBDLO O=c1ccccn1CC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000732981491 578737556 /nfs/dbraw/zinc/73/75/56/578737556.db2.gz HWTMOHLVNQYRQQ-UHFFFAOYSA-N 1 2 346.362 1.718 20 5 EDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC(n2cc[nH+]c2)C1 ZINC000733985439 578794178 /nfs/dbraw/zinc/79/41/78/578794178.db2.gz DXLIFEZNLRNNSX-UHFFFAOYSA-N 1 2 326.316 1.225 20 5 EDBDLO Cn1c[nH+]c2c1CCN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000738132919 579162868 /nfs/dbraw/zinc/16/28/68/579162868.db2.gz NOYLIERSFCLJJT-UHFFFAOYSA-N 1 2 339.359 1.603 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761891422 580063306 /nfs/dbraw/zinc/06/33/06/580063306.db2.gz KGXUUBQYCDEEOU-SNVBAGLBSA-N 1 2 336.348 1.058 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761891422 580063307 /nfs/dbraw/zinc/06/33/07/580063307.db2.gz KGXUUBQYCDEEOU-SNVBAGLBSA-N 1 2 336.348 1.058 20 5 EDBDLO COC(=O)C1(O)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000769973191 580250129 /nfs/dbraw/zinc/25/01/29/580250129.db2.gz SLWOKMKJSFOKAT-UHFFFAOYSA-N 1 2 328.752 1.748 20 5 EDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776584689 580422317 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C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412295175 303993269 /nfs/dbraw/zinc/99/32/69/303993269.db2.gz ABZWFIICVLPOGY-RRQGHBQHSA-N 1 2 347.415 1.877 20 5 EDBDLO O=C(NC[C@@]1(O)CCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000082971377 138268101 /nfs/dbraw/zinc/26/81/01/138268101.db2.gz NBLSVJCPRJEBQX-HNNXBMFYSA-N 1 2 348.384 1.378 20 5 EDBDLO Cc1sc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000124682788 138328959 /nfs/dbraw/zinc/32/89/59/138328959.db2.gz RANVBZSIPONULI-NSHDSACASA-N 1 2 343.430 1.600 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(N)=O)CC1 ZINC000124861524 138330096 /nfs/dbraw/zinc/33/00/96/138330096.db2.gz YPRWNAAECQUELE-NSHDSACASA-N 1 2 334.376 1.509 20 5 EDBDLO Cn1cc[nH+]c1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000123513225 138318951 /nfs/dbraw/zinc/31/89/51/138318951.db2.gz MKMLHALKSWQIAN-OAHLLOKOSA-N 1 2 329.316 1.296 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000564953198 306371164 /nfs/dbraw/zinc/37/11/64/306371164.db2.gz HFNFPXGGVJPHBR-LLVKDONJSA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000564953198 306371165 /nfs/dbraw/zinc/37/11/65/306371165.db2.gz HFNFPXGGVJPHBR-LLVKDONJSA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356088267 291300953 /nfs/dbraw/zinc/30/09/53/291300953.db2.gz VUNHTVWMSHLCEZ-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356088267 291300956 /nfs/dbraw/zinc/30/09/56/291300956.db2.gz VUNHTVWMSHLCEZ-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077017714 203370084 /nfs/dbraw/zinc/37/00/84/203370084.db2.gz XLSDAWWUVFYBQR-LBPRGKRZSA-N 1 2 349.387 1.531 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000126486143 205059943 /nfs/dbraw/zinc/05/99/43/205059943.db2.gz BJOUBUBMIVWCOX-PWSUYJOCSA-N 1 2 332.364 1.557 20 5 EDBDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000160005602 206274525 /nfs/dbraw/zinc/27/45/25/206274525.db2.gz WZVJUSJFLPOWKA-LBPRGKRZSA-N 1 2 339.417 1.987 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[S@@]1=O ZINC000449915876 254651024 /nfs/dbraw/zinc/65/10/24/254651024.db2.gz PTOVBFQNYMHQAK-BUBHHJDNSA-N 1 2 348.384 1.374 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@](O)(C2CC2)C1 ZINC000451259176 254724909 /nfs/dbraw/zinc/72/49/09/254724909.db2.gz BJQOUGIHVJMAJH-QGZVFWFLSA-N 1 2 342.355 1.768 20 5 EDBDLO CC(C)(C)OC(=O)NCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000490940507 255111142 /nfs/dbraw/zinc/11/11/42/255111142.db2.gz ZMZSEETWJDVTJO-UHFFFAOYSA-N 1 2 339.396 1.986 20 5 EDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000263871720 139366129 /nfs/dbraw/zinc/36/61/29/139366129.db2.gz MMYUCSCXFROSRL-UHFFFAOYSA-N 1 2 339.417 1.721 20 5 EDBDLO CCOC(=O)NCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000496401509 255391894 /nfs/dbraw/zinc/39/18/94/255391894.db2.gz UGRKYSWBKIFTEG-UHFFFAOYSA-N 1 2 348.315 1.683 20 5 EDBDLO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000264223092 139388141 /nfs/dbraw/zinc/38/81/41/139388141.db2.gz HKFKTZJYKICYGT-STQMWFEESA-N 1 2 337.376 1.199 20 5 EDBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000264298678 139394907 /nfs/dbraw/zinc/39/49/07/139394907.db2.gz LKHPMIPVQVCJEN-UHFFFAOYSA-N 1 2 345.359 1.376 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1 ZINC000339068569 291991194 /nfs/dbraw/zinc/99/11/94/291991194.db2.gz RCLJKIGMZFSVEV-RYUDHWBXSA-N 1 2 341.433 1.925 20 5 EDBDLO NC(=O)c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269863194 140008352 /nfs/dbraw/zinc/00/83/52/140008352.db2.gz JVPUPGILIMBZER-GFCCVEGCSA-N 1 2 327.344 1.780 20 5 EDBDLO CN(C)c1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000271111469 140238663 /nfs/dbraw/zinc/23/86/63/140238663.db2.gz BPMQLDNWHRGSBB-UHFFFAOYSA-N 1 2 342.403 1.773 20 5 EDBDLO Cn1cc(C[N@@H+]2CCO[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271163518 140249095 /nfs/dbraw/zinc/24/90/95/140249095.db2.gz GMXBIQDFYLPQEB-HNNXBMFYSA-N 1 2 332.360 1.188 20 5 EDBDLO Cn1cc(C[N@H+]2CCO[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271163518 140249097 /nfs/dbraw/zinc/24/90/97/140249097.db2.gz GMXBIQDFYLPQEB-HNNXBMFYSA-N 1 2 332.360 1.188 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000332091452 141121418 /nfs/dbraw/zinc/12/14/18/141121418.db2.gz LUAOFDMHHHPDOB-UHFFFAOYSA-N 1 2 335.389 1.348 20 5 EDBDLO C[C@H]1C[NH+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000346033984 143159773 /nfs/dbraw/zinc/15/97/73/143159773.db2.gz RGKHWKQIZZPPGQ-RYUDHWBXSA-N 1 2 337.376 1.530 20 5 EDBDLO Cc1cc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000346654854 143227072 /nfs/dbraw/zinc/22/70/72/143227072.db2.gz LMXRTQUQUPODMQ-UHFFFAOYSA-N 1 2 346.368 1.550 20 5 EDBDLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680852 149115512 /nfs/dbraw/zinc/11/55/12/149115512.db2.gz VLXMIQKUHMUFBN-DOMZBBRYSA-N 1 2 340.376 1.202 20 5 EDBDLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680852 149115514 /nfs/dbraw/zinc/11/55/14/149115514.db2.gz VLXMIQKUHMUFBN-DOMZBBRYSA-N 1 2 340.376 1.202 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000353388389 149388685 /nfs/dbraw/zinc/38/86/85/149388685.db2.gz QTXYQODEAWWVQO-JGGQBBKZSA-N 1 2 328.372 1.944 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000354900864 150020300 /nfs/dbraw/zinc/02/03/00/150020300.db2.gz MZXFXYAULKTTJE-LBPRGKRZSA-N 1 2 335.360 1.210 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000354900864 150020304 /nfs/dbraw/zinc/02/03/04/150020304.db2.gz MZXFXYAULKTTJE-LBPRGKRZSA-N 1 2 335.360 1.210 20 5 EDBDLO Cc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000354903139 150021468 /nfs/dbraw/zinc/02/14/68/150021468.db2.gz PWNOBQMQQHOHPQ-UHFFFAOYSA-N 1 2 344.306 1.881 20 5 EDBDLO COC(=O)c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000357695411 151117778 /nfs/dbraw/zinc/11/77/78/151117778.db2.gz ZMKKZGXDJJXYCG-CYBMUJFWSA-N 1 2 344.327 1.829 20 5 EDBDLO Cn1c[nH+]cc1Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000357945531 151206659 /nfs/dbraw/zinc/20/66/59/151206659.db2.gz IRKUCHXNUHOGRS-UHFFFAOYSA-N 1 2 328.332 1.957 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361099994 152304980 /nfs/dbraw/zinc/30/49/80/152304980.db2.gz FAPLNYRKTQBFAA-ZDUSSCGKSA-N 1 2 329.360 1.764 20 5 EDBDLO CNc1c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000361212000 152336361 /nfs/dbraw/zinc/33/63/61/152336361.db2.gz LDCAWBJRMNMBOW-UHFFFAOYSA-N 1 2 344.375 1.318 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c1C ZINC000367468635 292291492 /nfs/dbraw/zinc/29/14/92/292291492.db2.gz BJMUMCGTEZDCBZ-NSHDSACASA-N 1 2 349.359 1.439 20 5 EDBDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4ncccc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000373932225 157070605 /nfs/dbraw/zinc/07/06/05/157070605.db2.gz GLDQBXIZRLAVOA-TXEJJXNPSA-N 1 2 344.375 1.503 20 5 EDBDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4ncccc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000373932225 157070606 /nfs/dbraw/zinc/07/06/06/157070606.db2.gz GLDQBXIZRLAVOA-TXEJJXNPSA-N 1 2 344.375 1.503 20 5 EDBDLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2N1 ZINC000374024938 157112632 /nfs/dbraw/zinc/11/26/32/157112632.db2.gz UMAOTOHUTGVBNH-YPMHNXCESA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2N1 ZINC000374024938 157112634 /nfs/dbraw/zinc/11/26/34/157112634.db2.gz UMAOTOHUTGVBNH-YPMHNXCESA-N 1 2 325.752 1.338 20 5 EDBDLO O=C(c1cccc([N+](=O)[O-])c1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000374041327 157118673 /nfs/dbraw/zinc/11/86/73/157118673.db2.gz STUIXKPQNMEOCR-GFCCVEGCSA-N 1 2 337.351 1.671 20 5 EDBDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)no1 ZINC000374546588 157325362 /nfs/dbraw/zinc/32/53/62/157325362.db2.gz AOXWILZBIWXKSX-LBPRGKRZSA-N 1 2 332.364 1.700 20 5 EDBDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)no1 ZINC000374546588 157325363 /nfs/dbraw/zinc/32/53/63/157325363.db2.gz AOXWILZBIWXKSX-LBPRGKRZSA-N 1 2 332.364 1.700 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000378490663 158191144 /nfs/dbraw/zinc/19/11/44/158191144.db2.gz QYPSUMSZZBQHHO-ZFWWWQNUSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000378490663 158191147 /nfs/dbraw/zinc/19/11/47/158191147.db2.gz QYPSUMSZZBQHHO-ZFWWWQNUSA-N 1 2 338.360 1.626 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000352295865 162100790 /nfs/dbraw/zinc/10/07/90/162100790.db2.gz WHJIENKAVMDIKP-JNDILOIQSA-N 1 2 348.384 1.374 20 5 EDBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cn(-c2ccccc2)nn1 ZINC000371822420 287040028 /nfs/dbraw/zinc/04/00/28/287040028.db2.gz KFAMZBDCMJOUGQ-LLVKDONJSA-N 1 2 327.348 1.760 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000137753884 287584124 /nfs/dbraw/zinc/58/41/24/287584124.db2.gz KYIXZYQKSCAKQZ-UHFFFAOYSA-N 1 2 343.387 1.769 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278677830 268708822 /nfs/dbraw/zinc/70/88/22/268708822.db2.gz GPSQEPGIZOCCSN-AWEZNQCLSA-N 1 2 348.403 1.241 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000278677830 268708824 /nfs/dbraw/zinc/70/88/24/268708824.db2.gz GPSQEPGIZOCCSN-AWEZNQCLSA-N 1 2 348.403 1.241 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000275161079 273105126 /nfs/dbraw/zinc/10/51/26/273105126.db2.gz IWSKLUZIRSAMFD-QWRGUYRKSA-N 1 2 332.364 1.710 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000186852615 272947804 /nfs/dbraw/zinc/94/78/04/272947804.db2.gz PNPMZMIKGVNJCT-SNVBAGLBSA-N 1 2 327.768 1.387 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284138785 274093372 /nfs/dbraw/zinc/09/33/72/274093372.db2.gz PQICGMNVHCTVHI-ZIAGYGMSSA-N 1 2 335.360 1.149 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284138785 274093374 /nfs/dbraw/zinc/09/33/74/274093374.db2.gz PQICGMNVHCTVHI-ZIAGYGMSSA-N 1 2 335.360 1.149 20 5 EDBDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)o2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000284421370 274195632 /nfs/dbraw/zinc/19/56/32/274195632.db2.gz XVJRAKNPHQQRAS-UHFFFAOYSA-N 1 2 347.331 1.089 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1CCOCC1 ZINC000284596819 274258173 /nfs/dbraw/zinc/25/81/73/274258173.db2.gz PNQLVDWJOZMHNO-NSHDSACASA-N 1 2 333.352 1.280 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284839247 274353828 /nfs/dbraw/zinc/35/38/28/274353828.db2.gz 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BRUULHQADCMHAZ-CYBMUJFWSA-N 1 2 334.376 1.158 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330650035 445079007 /nfs/dbraw/zinc/07/90/07/445079007.db2.gz WYJRTGDGDVMIRO-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000330650035 445079010 /nfs/dbraw/zinc/07/90/10/445079010.db2.gz WYJRTGDGDVMIRO-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO O=C(CC[N@@H+]1CCN(C2CC2)C(=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000337447870 445085549 /nfs/dbraw/zinc/08/55/49/445085549.db2.gz CZRNGOBADIWKGV-UHFFFAOYSA-N 1 2 332.360 1.230 20 5 EDBDLO O=C(CC[N@H+]1CCN(C2CC2)C(=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000337447870 445085552 /nfs/dbraw/zinc/08/55/52/445085552.db2.gz CZRNGOBADIWKGV-UHFFFAOYSA-N 1 2 332.360 1.230 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337665940 445193423 /nfs/dbraw/zinc/19/34/23/445193423.db2.gz SLMJVKUASFIZRZ-OAHLLOKOSA-N 1 2 328.328 1.482 20 5 EDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342113144 445178844 /nfs/dbraw/zinc/17/88/44/445178844.db2.gz OTTJPEZWTUKVMP-ZDUSSCGKSA-N 1 2 343.387 1.572 20 5 EDBDLO COc1c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000337645836 445185861 /nfs/dbraw/zinc/18/58/61/445185861.db2.gz IXZJHQHVILZEOQ-AWEZNQCLSA-N 1 2 342.355 1.785 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC000348097605 445266895 /nfs/dbraw/zinc/26/68/95/445266895.db2.gz WWBGEPVBGTUVMP-VIFPVBQESA-N 1 2 349.347 1.974 20 5 EDBDLO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000348096052 445265473 /nfs/dbraw/zinc/26/54/73/445265473.db2.gz OOYFZJAJQPXQJP-SECBINFHSA-N 1 2 349.347 1.974 20 5 EDBDLO COc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1C ZINC000359706075 445385224 /nfs/dbraw/zinc/38/52/24/445385224.db2.gz LAWZQXVKMVSFBH-LBPRGKRZSA-N 1 2 330.344 1.853 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CCn4cc[nH+]c4C3)n2)cc1 ZINC000357044874 445391826 /nfs/dbraw/zinc/39/18/26/445391826.db2.gz VOQXUILANUCVTI-UHFFFAOYSA-N 1 2 326.316 1.857 20 5 EDBDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000349036962 445483937 /nfs/dbraw/zinc/48/39/37/445483937.db2.gz QGRXGNMZOITFEF-UHFFFAOYSA-N 1 2 345.396 1.638 20 5 EDBDLO CC[C@H]1C[N@H+](CCNc2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000362673968 445493140 /nfs/dbraw/zinc/49/31/40/445493140.db2.gz YNGXKTFWVZZKEI-JTQLQIEISA-N 1 2 325.394 1.827 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000362673968 445493144 /nfs/dbraw/zinc/49/31/44/445493144.db2.gz YNGXKTFWVZZKEI-JTQLQIEISA-N 1 2 325.394 1.827 20 5 EDBDLO NC(=O)c1ccnc(NCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000357311386 445542164 /nfs/dbraw/zinc/54/21/64/445542164.db2.gz HWNUFVRAMDFIBH-UHFFFAOYSA-N 1 2 326.316 1.620 20 5 EDBDLO CCn1ncnc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353588002 445667917 /nfs/dbraw/zinc/66/79/17/445667917.db2.gz KEELXGGIOBZCES-HNNXBMFYSA-N 1 2 341.375 1.819 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000356169216 445658980 /nfs/dbraw/zinc/65/89/80/445658980.db2.gz OORGWMFRTOFFGH-UHFFFAOYSA-N 1 2 340.343 1.503 20 5 EDBDLO CN(C)c1cc2c(nn1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000363496750 445831633 /nfs/dbraw/zinc/83/16/33/445831633.db2.gz SFIMBRLXBUGPGO-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO CN(C)c1cc2c(nn1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000363496750 445831638 /nfs/dbraw/zinc/83/16/38/445831638.db2.gz SFIMBRLXBUGPGO-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO O=[N+]([O-])c1ccn(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000350342395 445814305 /nfs/dbraw/zinc/81/43/05/445814305.db2.gz SJQDRQYXOSQXOX-QWRGUYRKSA-N 1 2 334.336 1.148 20 5 EDBDLO O=[N+]([O-])c1ccn(Cc2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000350342395 445814308 /nfs/dbraw/zinc/81/43/08/445814308.db2.gz SJQDRQYXOSQXOX-QWRGUYRKSA-N 1 2 334.336 1.148 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361590279 445835993 /nfs/dbraw/zinc/83/59/93/445835993.db2.gz UBVIKYHLYSZTJT-CYBMUJFWSA-N 1 2 329.360 1.985 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361590279 445835997 /nfs/dbraw/zinc/83/59/97/445835997.db2.gz UBVIKYHLYSZTJT-CYBMUJFWSA-N 1 2 329.360 1.985 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364363779 445914860 /nfs/dbraw/zinc/91/48/60/445914860.db2.gz OUGMNYUNOCHVPI-TUKIKUTGSA-N 1 2 331.372 1.857 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364363779 445914863 /nfs/dbraw/zinc/91/48/63/445914863.db2.gz OUGMNYUNOCHVPI-TUKIKUTGSA-N 1 2 331.372 1.857 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000350830816 445920224 /nfs/dbraw/zinc/92/02/24/445920224.db2.gz MAJYAKYVYNUTHC-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000350830816 445920226 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ZINC000610900707 450375043 /nfs/dbraw/zinc/37/50/43/450375043.db2.gz HTLMVXRKJUNFED-BONVTDFDSA-N 1 2 333.344 1.790 20 5 EDBDLO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900707 450375052 /nfs/dbraw/zinc/37/50/52/450375052.db2.gz HTLMVXRKJUNFED-BONVTDFDSA-N 1 2 333.344 1.790 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352768527 535496968 /nfs/dbraw/zinc/49/69/68/535496968.db2.gz IISBYQSQPCUIPV-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352768527 535496972 /nfs/dbraw/zinc/49/69/72/535496972.db2.gz IISBYQSQPCUIPV-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708014 536074804 /nfs/dbraw/zinc/07/48/04/536074804.db2.gz UVJOZINMYJGAFW-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO CN(C)S(=O)(=O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708014 536074807 /nfs/dbraw/zinc/07/48/07/536074807.db2.gz UVJOZINMYJGAFW-UHFFFAOYSA-N 1 2 343.405 1.071 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736220032 578964313 /nfs/dbraw/zinc/96/43/13/578964313.db2.gz IHMJNRPZPRGBPS-LLVKDONJSA-N 1 2 325.390 1.185 20 5 EDBDLO Cc1cn(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000744436453 579510780 /nfs/dbraw/zinc/51/07/80/579510780.db2.gz NMFDRANDMVTCGZ-OKILXGFUSA-N 1 2 344.371 1.676 20 5 EDBDLO Cc1cn(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000744436453 579510782 /nfs/dbraw/zinc/51/07/82/579510782.db2.gz NMFDRANDMVTCGZ-OKILXGFUSA-N 1 2 344.371 1.676 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746476044 579597060 /nfs/dbraw/zinc/59/70/60/579597060.db2.gz SVLICNXLGGVEKG-QHCPKHFHSA-N 1 2 341.433 1.100 20 5 EDBDLO Cn1cc(CN2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000750058918 579750559 /nfs/dbraw/zinc/75/05/59/579750559.db2.gz ZYVFNBBZRVKUDX-KRWDZBQOSA-N 1 2 345.403 1.180 20 5 EDBDLO Cn1cc(C[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000750058918 579750560 /nfs/dbraw/zinc/75/05/60/579750560.db2.gz ZYVFNBBZRVKUDX-KRWDZBQOSA-N 1 2 345.403 1.180 20 5 EDBDLO O=C1COc2cc([N+](=O)[O-])c(NCCNc3cccc[nH+]3)cc2N1 ZINC000761872303 580063024 /nfs/dbraw/zinc/06/30/24/580063024.db2.gz FQPITXCBPOSFOJ-UHFFFAOYSA-N 1 2 329.316 1.845 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000765491667 580143800 /nfs/dbraw/zinc/14/38/00/580143800.db2.gz ODOZAEWGELISCH-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767566029 580193116 /nfs/dbraw/zinc/19/31/16/580193116.db2.gz XGXGJJHDXYLNSR-IYBDPMFKSA-N 1 2 334.372 1.934 20 5 EDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767566029 580193117 /nfs/dbraw/zinc/19/31/17/580193117.db2.gz XGXGJJHDXYLNSR-IYBDPMFKSA-N 1 2 334.372 1.934 20 5 EDBDLO Cc1nc(CN2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000776593992 580423216 /nfs/dbraw/zinc/42/32/16/580423216.db2.gz ZTGFLYPSYCXISM-OAHLLOKOSA-N 1 2 347.375 1.137 20 5 EDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc[nH+]cc1O ZINC000782029546 580564546 /nfs/dbraw/zinc/56/45/46/580564546.db2.gz UMVWLRDVZRNADR-UHFFFAOYSA-N 1 2 332.272 1.597 20 5 EDBDLO COC(=O)[C@@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000782264507 580570025 /nfs/dbraw/zinc/57/00/25/580570025.db2.gz JDOQCAXPMSRHII-CQSZACIVSA-N 1 2 349.387 1.784 20 5 EDBDLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000782264507 580570026 /nfs/dbraw/zinc/57/00/26/580570026.db2.gz JDOQCAXPMSRHII-CQSZACIVSA-N 1 2 349.387 1.784 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000782265024 580570100 /nfs/dbraw/zinc/57/01/00/580570100.db2.gz MLTAZUBRQCWTQT-VIFPVBQESA-N 1 2 330.287 1.751 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000782487818 580575874 /nfs/dbraw/zinc/57/58/74/580575874.db2.gz 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CCNc1ccc(C(=O)OCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000800087311 581042471 /nfs/dbraw/zinc/04/24/71/581042471.db2.gz SZWKORDNVKEDFZ-GFCCVEGCSA-N 1 2 337.376 1.904 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000892469079 591039173 /nfs/dbraw/zinc/03/91/73/591039173.db2.gz WDNPOQDYWKLINU-NSHDSACASA-N 1 2 349.822 1.876 20 5 EDBDLO CN1CC[N@@H+](C)[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000892469079 591039178 /nfs/dbraw/zinc/03/91/78/591039178.db2.gz WDNPOQDYWKLINU-NSHDSACASA-N 1 2 349.822 1.876 20 5 EDBDLO COc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000898501210 591388041 /nfs/dbraw/zinc/38/80/41/591388041.db2.gz DHCWTIBFAZFGAO-LLVKDONJSA-N 1 2 325.340 1.767 20 5 EDBDLO COc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000898501210 591388047 /nfs/dbraw/zinc/38/80/47/591388047.db2.gz DHCWTIBFAZFGAO-LLVKDONJSA-N 1 2 325.340 1.767 20 5 EDBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806231 591424073 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O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000447811584 305286057 /nfs/dbraw/zinc/28/60/57/305286057.db2.gz OBGJNVNZIRAODQ-DAYGRLMNSA-N 1 2 347.415 1.634 20 5 EDBDLO CN1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1=O ZINC000447814848 305286125 /nfs/dbraw/zinc/28/61/25/305286125.db2.gz AEYIHWULHIYDPM-CQSZACIVSA-N 1 2 348.403 1.460 20 5 EDBDLO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1 ZINC000451637084 305358103 /nfs/dbraw/zinc/35/81/03/305358103.db2.gz ARGRQCNNZWOKNI-NSHDSACASA-N 1 2 330.344 1.613 20 5 EDBDLO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1 ZINC000451637084 305358104 /nfs/dbraw/zinc/35/81/04/305358104.db2.gz ARGRQCNNZWOKNI-NSHDSACASA-N 1 2 330.344 1.613 20 5 EDBDLO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)on2)cc1[N+](=O)[O-] ZINC000530547266 305942783 /nfs/dbraw/zinc/94/27/83/305942783.db2.gz XJMDWKMHQSDONP-UHFFFAOYSA-N 1 2 335.316 1.733 20 5 EDBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000540953625 306042562 /nfs/dbraw/zinc/04/25/62/306042562.db2.gz HMFJZILJZLVJDZ-CVEARBPZSA-N 1 2 349.387 1.674 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545224892 306082719 /nfs/dbraw/zinc/08/27/19/306082719.db2.gz HGELKYXIGOPLBU-GFCCVEGCSA-N 1 2 336.314 1.854 20 5 EDBDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547751978 306110645 /nfs/dbraw/zinc/11/06/45/306110645.db2.gz IMADGOIOYKVDJH-UHFFFAOYSA-N 1 2 329.360 1.584 20 5 EDBDLO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000557093405 306223744 /nfs/dbraw/zinc/22/37/44/306223744.db2.gz NOAMRPBDIROAHO-OCCSQVGLSA-N 1 2 348.403 1.572 20 5 EDBDLO CC(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000044412638 440845094 /nfs/dbraw/zinc/84/50/94/440845094.db2.gz RNYNPSNTDBRVHV-GFCCVEGCSA-N 1 2 327.406 1.743 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000046406694 441106082 /nfs/dbraw/zinc/10/60/82/441106082.db2.gz NLGHNWBDNBNJOU-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000046406694 441106084 /nfs/dbraw/zinc/10/60/84/441106084.db2.gz NLGHNWBDNBNJOU-UHFFFAOYSA-N 1 2 348.403 1.187 20 5 EDBDLO COc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000061035385 441263964 /nfs/dbraw/zinc/26/39/64/441263964.db2.gz OTIAVMAWNSNNSD-UHFFFAOYSA-N 1 2 340.361 1.158 20 5 EDBDLO Cc1nsc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000081576551 441291954 /nfs/dbraw/zinc/29/19/54/441291954.db2.gz GTCDFTVIZXLZPH-UHFFFAOYSA-N 1 2 349.416 1.956 20 5 EDBDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000081958201 441326436 /nfs/dbraw/zinc/32/64/36/441326436.db2.gz JFKPMCQEWKFHFJ-ZDUSSCGKSA-N 1 2 331.332 1.254 20 5 EDBDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000081958201 441326439 /nfs/dbraw/zinc/32/64/39/441326439.db2.gz JFKPMCQEWKFHFJ-ZDUSSCGKSA-N 1 2 331.332 1.254 20 5 EDBDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000026483143 441379480 /nfs/dbraw/zinc/37/94/80/441379480.db2.gz UHRPWKFDGYPOQM-UHFFFAOYSA-N 1 2 349.435 1.757 20 5 EDBDLO COC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000050784412 441389646 /nfs/dbraw/zinc/38/96/46/441389646.db2.gz JPFNWLWUCRIKOE-AWEZNQCLSA-N 1 2 333.344 1.338 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000052129335 441436626 /nfs/dbraw/zinc/43/66/26/441436626.db2.gz NNORPUXAAIFPAN-UHFFFAOYSA-N 1 2 343.387 1.719 20 5 EDBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cn2ccccc2[nH+]1 ZINC000028875847 441438791 /nfs/dbraw/zinc/43/87/91/441438791.db2.gz CNGISAMAXZHOIW-UHFFFAOYSA-N 1 2 326.312 1.938 20 5 EDBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000109621463 441501682 /nfs/dbraw/zinc/50/16/82/441501682.db2.gz MKZZEOFHOUVTJD-SNVBAGLBSA-N 1 2 332.364 1.520 20 5 EDBDLO O=C(N[C@@H]1CCCCNC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054001406 441553623 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325.390 1.647 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000091212714 441676828 /nfs/dbraw/zinc/67/68/28/441676828.db2.gz BVBHYJHLNCXANV-UHFFFAOYSA-N 1 2 328.325 1.299 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000042510773 441744965 /nfs/dbraw/zinc/74/49/65/441744965.db2.gz AIAPQCZLDCPYRF-NEPJUHHUSA-N 1 2 345.359 1.115 20 5 EDBDLO O=C(c1cc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000077523785 441797989 /nfs/dbraw/zinc/79/79/89/441797989.db2.gz XBWRWLLDCMFLBR-UHFFFAOYSA-N 1 2 348.403 1.575 20 5 EDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000043056788 441809785 /nfs/dbraw/zinc/80/97/85/441809785.db2.gz IZMMVRWATVBYPT-UHFFFAOYSA-N 1 2 340.343 1.862 20 5 EDBDLO Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000068766463 441848045 /nfs/dbraw/zinc/84/80/45/441848045.db2.gz KZQSEUUKQXTEPR-UHFFFAOYSA-N 1 2 341.433 1.824 20 5 EDBDLO Cc1nc(CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)oc1C ZINC000174845427 441974777 /nfs/dbraw/zinc/97/47/77/441974777.db2.gz BISGKDYSBPZILJ-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000125916454 442059924 /nfs/dbraw/zinc/05/99/24/442059924.db2.gz UHZIIBKNACJGAE-UHFFFAOYSA-N 1 2 344.371 1.899 20 5 EDBDLO COC(=O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000079714260 442079970 /nfs/dbraw/zinc/07/99/70/442079970.db2.gz ABUCUFMCQATAEP-UHFFFAOYSA-N 1 2 344.327 1.558 20 5 EDBDLO Cc1nc(CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000176203524 442190267 /nfs/dbraw/zinc/19/02/67/442190267.db2.gz ZIPBKEFYLZPCPY-UHFFFAOYSA-N 1 2 336.421 1.374 20 5 EDBDLO O=C(NCC[NH+]1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000128380948 442262386 /nfs/dbraw/zinc/26/23/86/442262386.db2.gz VKYNCSPBCJXCJX-UHFFFAOYSA-N 1 2 348.403 1.601 20 5 EDBDLO NC(=O)C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000177124798 442300739 /nfs/dbraw/zinc/30/07/39/442300739.db2.gz HRZACBDQHGUMNZ-UHFFFAOYSA-N 1 2 345.359 1.923 20 5 EDBDLO CCCc1n[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000154583254 442346665 /nfs/dbraw/zinc/34/66/65/442346665.db2.gz YUYCYWWDUPATGL-LLVKDONJSA-N 1 2 344.375 1.674 20 5 EDBDLO Cc1nn(CCC(=O)NCc2ccn3cc[nH+]c3c2)c(C)c1[N+](=O)[O-] ZINC000178355291 442427653 /nfs/dbraw/zinc/42/76/53/442427653.db2.gz CESFMAHWELWCOL-UHFFFAOYSA-N 1 2 342.359 1.762 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](OCCO)C3)n2)c1 ZINC000172302011 442439110 /nfs/dbraw/zinc/43/91/10/442439110.db2.gz BLSTUGIWXBLPFW-CQSZACIVSA-N 1 2 348.359 1.618 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](OCCO)C3)n2)c1 ZINC000172302011 442439113 /nfs/dbraw/zinc/43/91/13/442439113.db2.gz BLSTUGIWXBLPFW-CQSZACIVSA-N 1 2 348.359 1.618 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000186651865 442583098 /nfs/dbraw/zinc/58/30/98/442583098.db2.gz UJNYXAREYXBJLH-IAQYHMDHSA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cn1cc[nH+]c1 ZINC000182082436 442733873 /nfs/dbraw/zinc/73/38/73/442733873.db2.gz SYDJFJMETWZQJA-JTQLQIEISA-N 1 2 332.316 1.586 20 5 EDBDLO CCCCC[N@H+](CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183042217 442869173 /nfs/dbraw/zinc/86/91/73/442869173.db2.gz XLVWZSRHYISMKY-UHFFFAOYSA-N 1 2 348.403 1.461 20 5 EDBDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183042217 442869174 /nfs/dbraw/zinc/86/91/74/442869174.db2.gz XLVWZSRHYISMKY-UHFFFAOYSA-N 1 2 348.403 1.461 20 5 EDBDLO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000266538271 443161096 /nfs/dbraw/zinc/16/10/96/443161096.db2.gz RDBQPUOMFLGNJV-ZDUSSCGKSA-N 1 2 336.392 1.157 20 5 EDBDLO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262954699 443218538 /nfs/dbraw/zinc/21/85/38/443218538.db2.gz KBRPTSZJVMDZCY-NSHDSACASA-N 1 2 340.330 1.241 20 5 EDBDLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264395468 443276059 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/nfs/dbraw/zinc/34/45/14/449344514.db2.gz HWVVTKMCAODMBS-NSHDSACASA-N 1 2 329.303 1.897 20 5 EDBDLO Cn1c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000598342896 449356963 /nfs/dbraw/zinc/35/69/63/449356963.db2.gz OMYHMJCPZRUHCT-UHFFFAOYSA-N 1 2 336.392 1.118 20 5 EDBDLO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598375885 449369421 /nfs/dbraw/zinc/36/94/21/449369421.db2.gz IVXCALPJOGHENP-LBPRGKRZSA-N 1 2 335.360 1.284 20 5 EDBDLO CC[N@@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268601 449447368 /nfs/dbraw/zinc/44/73/68/449447368.db2.gz KFKMBDNOCMLCMW-SNVBAGLBSA-N 1 2 347.462 1.980 20 5 EDBDLO CC[N@H+]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268601 449447369 /nfs/dbraw/zinc/44/73/69/449447369.db2.gz KFKMBDNOCMLCMW-SNVBAGLBSA-N 1 2 347.462 1.980 20 5 EDBDLO CN(C)S(=O)(=O)c1ccc(N(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC000596305741 449466838 /nfs/dbraw/zinc/46/68/38/449466838.db2.gz LIVOQHJYSDBSMM-UHFFFAOYSA-N 1 2 339.377 1.205 20 5 EDBDLO CN(C)S(=O)(=O)c1ccc(N(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000596305741 449466842 /nfs/dbraw/zinc/46/68/42/449466842.db2.gz LIVOQHJYSDBSMM-UHFFFAOYSA-N 1 2 339.377 1.205 20 5 EDBDLO Cc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c(C)c1[N+](=O)[O-] ZINC000598598242 449484058 /nfs/dbraw/zinc/48/40/58/449484058.db2.gz OOLWGGCVHJDDFT-UHFFFAOYSA-N 1 2 338.389 1.766 20 5 EDBDLO Cn1cnnc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000594613752 449593391 /nfs/dbraw/zinc/59/33/91/449593391.db2.gz SWETUOZSYSKQHS-XQRVVYSFSA-N 1 2 328.376 1.559 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895319 449634695 /nfs/dbraw/zinc/63/46/95/449634695.db2.gz YXEBZLLBKJGOFO-LLVKDONJSA-N 1 2 346.347 1.118 20 5 EDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601176408 449734643 /nfs/dbraw/zinc/73/46/43/449734643.db2.gz HKXKLPNCKJFPNT-LLVKDONJSA-N 1 2 349.309 1.719 20 5 EDBDLO CN1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](CO)C1 ZINC000602715461 449764979 /nfs/dbraw/zinc/76/49/79/449764979.db2.gz NRYVISFVOXPKHS-CYBMUJFWSA-N 1 2 331.372 1.963 20 5 EDBDLO CN1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](CO)C1 ZINC000602715461 449764982 /nfs/dbraw/zinc/76/49/82/449764982.db2.gz NRYVISFVOXPKHS-CYBMUJFWSA-N 1 2 331.372 1.963 20 5 EDBDLO COC(=O)[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000599153037 449765538 /nfs/dbraw/zinc/76/55/38/449765538.db2.gz SSPNKVURQLEQQJ-YGRLFVJLSA-N 1 2 331.328 1.910 20 5 EDBDLO Cc1nsc(N2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)n1 ZINC000602794297 449815331 /nfs/dbraw/zinc/81/53/31/449815331.db2.gz VFMKZNHPMSCRPO-UHFFFAOYSA-N 1 2 337.409 1.082 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c([N+](=O)[O-])s1 ZINC000601382909 449899408 /nfs/dbraw/zinc/89/94/08/449899408.db2.gz JAYCFLWEDQKETL-UHFFFAOYSA-N 1 2 333.435 1.679 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c([N+](=O)[O-])s1 ZINC000601382909 449899414 /nfs/dbraw/zinc/89/94/14/449899414.db2.gz JAYCFLWEDQKETL-UHFFFAOYSA-N 1 2 333.435 1.679 20 5 EDBDLO Cc1nn(CCC(=O)NCCCCn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000608839620 449944560 /nfs/dbraw/zinc/94/45/60/449944560.db2.gz OGDCTKLBMQCRHF-UHFFFAOYSA-N 1 2 334.380 1.591 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960020 449953919 /nfs/dbraw/zinc/95/39/19/449953919.db2.gz UILLZQWFXATOFP-SNVBAGLBSA-N 1 2 332.316 1.381 20 5 EDBDLO COc1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000599622400 450109916 /nfs/dbraw/zinc/10/99/16/450109916.db2.gz BVOXBSWMTIRNPN-IYBDPMFKSA-N 1 2 342.367 1.555 20 5 EDBDLO COc1cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([N+](=O)[O-])cc1F ZINC000599622400 450109924 /nfs/dbraw/zinc/10/99/24/450109924.db2.gz BVOXBSWMTIRNPN-IYBDPMFKSA-N 1 2 342.367 1.555 20 5 EDBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595446988 450148223 /nfs/dbraw/zinc/14/82/23/450148223.db2.gz KHNLILOEJGXGCG-AWEZNQCLSA-N 1 2 334.376 1.211 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707422 450210293 /nfs/dbraw/zinc/21/02/93/450210293.db2.gz QKGFYXBLKWHESZ-CQSZACIVSA-N 1 2 333.388 1.840 20 5 EDBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601732858 450197542 /nfs/dbraw/zinc/19/75/42/450197542.db2.gz CXWOHJGJIUQHGH-DOTOQJQBSA-N 1 2 349.431 1.953 20 5 EDBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000601732858 450197551 /nfs/dbraw/zinc/19/75/51/450197551.db2.gz CXWOHJGJIUQHGH-DOTOQJQBSA-N 1 2 349.431 1.953 20 5 EDBDLO NC(=O)[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615990685 450291651 /nfs/dbraw/zinc/29/16/51/450291651.db2.gz PBZMESGGCPTEJF-CQSZACIVSA-N 1 2 348.403 1.129 20 5 EDBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610887513 450369397 /nfs/dbraw/zinc/36/93/97/450369397.db2.gz SFUVFJBPYUANLO-UHFFFAOYSA-N 1 2 332.316 1.682 20 5 EDBDLO O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269405906 491002742 /nfs/dbraw/zinc/00/27/42/491002742.db2.gz MFZICPLETFNXGG-DOMZBBRYSA-N 1 2 330.344 1.814 20 5 EDBDLO CCN1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1=O ZINC000190206401 529040421 /nfs/dbraw/zinc/04/04/21/529040421.db2.gz YRTLBYLFXIRJCQ-UHFFFAOYSA-N 1 2 337.376 1.536 20 5 EDBDLO CCN1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1=O ZINC000190206401 529040424 /nfs/dbraw/zinc/04/04/24/529040424.db2.gz YRTLBYLFXIRJCQ-UHFFFAOYSA-N 1 2 337.376 1.536 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000331592708 535320305 /nfs/dbraw/zinc/32/03/05/535320305.db2.gz NKARIMAKAAMFRE-GFCCVEGCSA-N 1 2 344.375 1.623 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000331592708 535320310 /nfs/dbraw/zinc/32/03/10/535320310.db2.gz NKARIMAKAAMFRE-GFCCVEGCSA-N 1 2 344.375 1.623 20 5 EDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000065757649 536061623 /nfs/dbraw/zinc/06/16/23/536061623.db2.gz GJTYSFTVHHONTO-UHFFFAOYSA-N 1 2 347.375 1.633 20 5 EDBDLO COC(=O)[C@]1(C)CC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000759754700 580013974 /nfs/dbraw/zinc/01/39/74/580013974.db2.gz ILUKYHRNDSUEBM-MRXNPFEDSA-N 1 2 347.327 1.033 20 5 EDBDLO COC(=O)[C@]1(C)CC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000759754700 580013975 /nfs/dbraw/zinc/01/39/75/580013975.db2.gz ILUKYHRNDSUEBM-MRXNPFEDSA-N 1 2 347.327 1.033 20 5 EDBDLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000788080386 579044805 /nfs/dbraw/zinc/04/48/05/579044805.db2.gz JVWPKAXHYVNHHY-GFCCVEGCSA-N 1 2 349.322 1.376 20 5 EDBDLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000788080386 579044806 /nfs/dbraw/zinc/04/48/06/579044806.db2.gz JVWPKAXHYVNHHY-GFCCVEGCSA-N 1 2 349.322 1.376 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000749798433 579740260 /nfs/dbraw/zinc/74/02/60/579740260.db2.gz HQMBLSBGLDWBBY-VXGBXAGGSA-N 1 2 345.355 1.507 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000749798433 579740261 /nfs/dbraw/zinc/74/02/61/579740261.db2.gz HQMBLSBGLDWBBY-VXGBXAGGSA-N 1 2 345.355 1.507 20 5 EDBDLO O=C(OCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766224335 580162257 /nfs/dbraw/zinc/16/22/57/580162257.db2.gz VZLYUFIWSQVSAI-UHFFFAOYSA-N 1 2 331.328 1.632 20 5 EDBDLO COc1cc(N2CC[NH+](CC[S@](C)=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000768499455 580214723 /nfs/dbraw/zinc/21/47/23/580214723.db2.gz FYMDNDFGTIYUND-QHCPKHFHSA-N 1 2 345.396 1.243 20 5 EDBDLO NC(=O)N[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770382859 580259229 /nfs/dbraw/zinc/25/92/29/580259229.db2.gz SFJBDSHOEDUBME-QMMMGPOBSA-N 1 2 343.181 1.600 20 5 EDBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770382859 580259230 /nfs/dbraw/zinc/25/92/30/580259230.db2.gz SFJBDSHOEDUBME-QMMMGPOBSA-N 1 2 343.181 1.600 20 5 EDBDLO O=C1CC2(CN1)CC[NH+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)CC2 ZINC000794636706 580901092 /nfs/dbraw/zinc/90/10/92/580901092.db2.gz KITHYYCLUQXFEK-UHFFFAOYSA-N 1 2 346.343 1.062 20 5 EDBDLO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000796367457 580952250 /nfs/dbraw/zinc/95/22/50/580952250.db2.gz PPQKPJJPYMXJPI-XRALYHRJSA-N 1 2 326.418 1.860 20 5 EDBDLO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000796367457 580952251 /nfs/dbraw/zinc/95/22/51/580952251.db2.gz PPQKPJJPYMXJPI-XRALYHRJSA-N 1 2 326.418 1.860 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523898 581079012 /nfs/dbraw/zinc/07/90/12/581079012.db2.gz MGMJRTWCSKEGQU-LLVKDONJSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523898 581079013 /nfs/dbraw/zinc/07/90/13/581079013.db2.gz MGMJRTWCSKEGQU-LLVKDONJSA-N 1 2 331.369 1.248 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801563489 581079987 /nfs/dbraw/zinc/07/99/87/581079987.db2.gz 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ZINC000802232859 593236258 /nfs/dbraw/zinc/23/62/58/593236258.db2.gz FVZKZEAMNVWFII-CYBMUJFWSA-N 1 2 336.323 1.532 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000840146498 593293937 /nfs/dbraw/zinc/29/39/37/593293937.db2.gz WRCJHLCBVFAIDT-INIZCTEOSA-N 1 2 333.344 1.963 20 5 EDBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000840146498 593293939 /nfs/dbraw/zinc/29/39/39/593293939.db2.gz WRCJHLCBVFAIDT-INIZCTEOSA-N 1 2 333.344 1.963 20 5 EDBDLO O=C(O[C@@H]1CCC(=O)NC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000809018294 593309802 /nfs/dbraw/zinc/30/98/02/593309802.db2.gz FESIEZBYXLTELH-LLVKDONJSA-N 1 2 330.300 1.216 20 5 EDBDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809811040 593361213 /nfs/dbraw/zinc/36/12/13/593361213.db2.gz WMVIFNCJODGFBM-ZETCQYMHSA-N 1 2 337.760 1.370 20 5 EDBDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809811040 593361216 /nfs/dbraw/zinc/36/12/16/593361216.db2.gz 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CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000332143608 141130501 /nfs/dbraw/zinc/13/05/01/141130501.db2.gz LRQUBXWENSDSOO-LLVKDONJSA-N 1 2 346.391 1.417 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]2C(=O)N(C)C[C@H]21 ZINC000345031570 143041450 /nfs/dbraw/zinc/04/14/50/143041450.db2.gz ZXKGVPXGELEMDO-DZGCQCFKSA-N 1 2 346.387 1.394 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]2C(=O)N(C)C[C@H]21 ZINC000345031570 143041451 /nfs/dbraw/zinc/04/14/51/143041451.db2.gz ZXKGVPXGELEMDO-DZGCQCFKSA-N 1 2 346.387 1.394 20 5 EDBDLO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000347045327 143275894 /nfs/dbraw/zinc/27/58/94/143275894.db2.gz NNVPAOLNDHJMCW-YPMHNXCESA-N 1 2 326.349 1.064 20 5 EDBDLO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000347045327 143275895 /nfs/dbraw/zinc/27/58/95/143275895.db2.gz NNVPAOLNDHJMCW-YPMHNXCESA-N 1 2 326.349 1.064 20 5 EDBDLO Cc1nn(C)c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000347973522 143385766 /nfs/dbraw/zinc/38/57/66/143385766.db2.gz JVWQJOKRPRIYHU-UHFFFAOYSA-N 1 2 340.343 1.752 20 5 EDBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000352576244 149071252 /nfs/dbraw/zinc/07/12/52/149071252.db2.gz HHRXYBFLRTYSHW-NSHDSACASA-N 1 2 347.350 1.976 20 5 EDBDLO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352784756 149163692 /nfs/dbraw/zinc/16/36/92/149163692.db2.gz WLDRUFKKYYGIAX-ZDUSSCGKSA-N 1 2 340.343 1.913 20 5 EDBDLO Cc1ccn2cc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)[nH+]c2c1 ZINC000352974041 149235631 /nfs/dbraw/zinc/23/56/31/149235631.db2.gz PDVLSRIJGAYRPI-UHFFFAOYSA-N 1 2 328.332 1.454 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000353403184 149393217 /nfs/dbraw/zinc/39/32/17/149393217.db2.gz LRCBKCOKYFRGNJ-DOMZBBRYSA-N 1 2 329.360 1.286 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354934094 150039735 /nfs/dbraw/zinc/03/97/35/150039735.db2.gz ZYHFNCVRKLYKOE-TXEJJXNPSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354934094 150039739 /nfs/dbraw/zinc/03/97/39/150039739.db2.gz ZYHFNCVRKLYKOE-TXEJJXNPSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000355606047 150333396 /nfs/dbraw/zinc/33/33/96/150333396.db2.gz KQRXXAMQOYWGNJ-VXGBXAGGSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000355606047 150333399 /nfs/dbraw/zinc/33/33/99/150333399.db2.gz KQRXXAMQOYWGNJ-VXGBXAGGSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000355606044 150333606 /nfs/dbraw/zinc/33/36/06/150333606.db2.gz KQRXXAMQOYWGNJ-NEPJUHHUSA-N 1 2 338.360 1.756 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000355606044 150333607 /nfs/dbraw/zinc/33/36/07/150333607.db2.gz KQRXXAMQOYWGNJ-NEPJUHHUSA-N 1 2 338.360 1.756 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000370001524 155274885 /nfs/dbraw/zinc/27/48/85/155274885.db2.gz IPYPFMDGLHZXHL-AWEZNQCLSA-N 1 2 345.407 1.946 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000370001524 155274889 /nfs/dbraw/zinc/27/48/89/155274889.db2.gz IPYPFMDGLHZXHL-AWEZNQCLSA-N 1 2 345.407 1.946 20 5 EDBDLO Cn1c[nH+]cc1CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000357780259 151150224 /nfs/dbraw/zinc/15/02/24/151150224.db2.gz MJCRXQUDALLUIC-UHFFFAOYSA-N 1 2 331.357 1.868 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357835274 151166822 /nfs/dbraw/zinc/16/68/22/151166822.db2.gz GVOJOEZAPUXHJD-JTQLQIEISA-N 1 2 327.768 1.891 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H](CCO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357835274 151166825 /nfs/dbraw/zinc/16/68/25/151166825.db2.gz GVOJOEZAPUXHJD-JTQLQIEISA-N 1 2 327.768 1.891 20 5 EDBDLO CCOc1cc(N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000361356797 152370580 /nfs/dbraw/zinc/37/05/80/152370580.db2.gz OZYWRDQAZGMKGF-OAHLLOKOSA-N 1 2 348.403 1.346 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000371502020 292295826 /nfs/dbraw/zinc/29/58/26/292295826.db2.gz ZDDHNHZDCZVDOO-SMDDNHRTSA-N 1 2 332.360 1.542 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000371502020 292295827 /nfs/dbraw/zinc/29/58/27/292295827.db2.gz ZDDHNHZDCZVDOO-SMDDNHRTSA-N 1 2 332.360 1.542 20 5 EDBDLO CCn1ccnc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000368678996 154674014 /nfs/dbraw/zinc/67/40/14/154674014.db2.gz YWAKINSDYRGJBW-UHFFFAOYSA-N 1 2 330.392 1.919 20 5 EDBDLO CCn1ccnc1C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000368678996 154674020 /nfs/dbraw/zinc/67/40/20/154674020.db2.gz YWAKINSDYRGJBW-UHFFFAOYSA-N 1 2 330.392 1.919 20 5 EDBDLO Nc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000374352803 157256782 /nfs/dbraw/zinc/25/67/82/157256782.db2.gz SNKHKNFTDJGGDD-AWEZNQCLSA-N 1 2 327.344 1.359 20 5 EDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374379134 157268257 /nfs/dbraw/zinc/26/82/57/157268257.db2.gz UZWCLLQVKSIHCE-MRXNPFEDSA-N 1 2 326.356 1.705 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000374561898 157329345 /nfs/dbraw/zinc/32/93/45/157329345.db2.gz TZOJDIZQQOSCQG-LLVKDONJSA-N 1 2 337.332 1.119 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000374561898 157329347 /nfs/dbraw/zinc/32/93/47/157329347.db2.gz TZOJDIZQQOSCQG-LLVKDONJSA-N 1 2 337.332 1.119 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408080087 158259048 /nfs/dbraw/zinc/25/90/48/158259048.db2.gz BDTDHFWNIYHYFF-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408080087 158259049 /nfs/dbraw/zinc/25/90/49/158259049.db2.gz BDTDHFWNIYHYFF-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO COc1cc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418192 162172071 /nfs/dbraw/zinc/17/20/71/162172071.db2.gz ZYZHLVBZJGJWGU-MNOVXSKESA-N 1 2 330.406 1.857 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418192 162172073 /nfs/dbraw/zinc/17/20/73/162172073.db2.gz ZYZHLVBZJGJWGU-MNOVXSKESA-N 1 2 330.406 1.857 20 5 EDBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000076420424 287283299 /nfs/dbraw/zinc/28/32/99/287283299.db2.gz QSGRDSVKKFXKBK-GFCCVEGCSA-N 1 2 348.359 1.103 20 5 EDBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000076420424 287283301 /nfs/dbraw/zinc/28/33/01/287283301.db2.gz QSGRDSVKKFXKBK-GFCCVEGCSA-N 1 2 348.359 1.103 20 5 EDBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273734422 268079804 /nfs/dbraw/zinc/07/98/04/268079804.db2.gz RDVNVMMXFQDNJE-UHFFFAOYSA-N 1 2 347.350 1.725 20 5 EDBDLO CCOC1CC(CNc2ncc([N+](=O)[O-])cn2)([NH+]2CCOCC2)C1 ZINC000278115690 268617076 /nfs/dbraw/zinc/61/70/76/268617076.db2.gz XTROMEIPORRJIQ-UHFFFAOYSA-N 1 2 337.380 1.067 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)ccc1Br ZINC000273377257 273035790 /nfs/dbraw/zinc/03/57/90/273035790.db2.gz GBQDXNZSBSSGGE-ZJUUUORDSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)ccc1Br ZINC000273377257 273035791 /nfs/dbraw/zinc/03/57/91/273035791.db2.gz GBQDXNZSBSSGGE-ZJUUUORDSA-N 1 2 331.166 1.285 20 5 EDBDLO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@@H]4C[NH+]5CCN4CC5)no3)c2c1 ZINC000273872100 273059032 /nfs/dbraw/zinc/05/90/32/273059032.db2.gz CWCWQGCXTMLONI-AWEZNQCLSA-N 1 2 340.343 1.798 20 5 EDBDLO Cn1cc([C@H](CO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000273945658 273061140 /nfs/dbraw/zinc/06/11/40/273061140.db2.gz DMYCQGNDRBFULM-HNNXBMFYSA-N 1 2 343.343 1.807 20 5 EDBDLO O=C1OCC[C@@]12CCC[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275091144 273100110 /nfs/dbraw/zinc/10/01/10/273100110.db2.gz HTZLIOZQERCFHO-LRDDRELGSA-N 1 2 336.344 1.116 20 5 EDBDLO O=C1OCC[C@@]12CCC[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275091144 273100111 /nfs/dbraw/zinc/10/01/11/273100111.db2.gz HTZLIOZQERCFHO-LRDDRELGSA-N 1 2 336.344 1.116 20 5 EDBDLO CN(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1c[nH+]cn1C ZINC000280774266 273396684 /nfs/dbraw/zinc/39/66/84/273396684.db2.gz CBDROAFHTBZMIS-HNNXBMFYSA-N 1 2 331.376 1.290 20 5 EDBDLO Nc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000283463517 273864160 /nfs/dbraw/zinc/86/41/60/273864160.db2.gz FOMPTDHDBCMKSB-UHFFFAOYSA-N 1 2 347.419 1.312 20 5 EDBDLO NS(=O)(=O)c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000371596522 279663739 /nfs/dbraw/zinc/66/37/39/279663739.db2.gz LNTMUTPOCHMVBT-LLVKDONJSA-N 1 2 337.361 1.307 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154276888 280002212 /nfs/dbraw/zinc/00/22/12/280002212.db2.gz XKQVSSWOHMNAKK-FZMZJTMJSA-N 1 2 330.406 1.383 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154276888 280002216 /nfs/dbraw/zinc/00/22/16/280002216.db2.gz XKQVSSWOHMNAKK-FZMZJTMJSA-N 1 2 330.406 1.383 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339064968 302045950 /nfs/dbraw/zinc/04/59/50/302045950.db2.gz AUXHDZCJBMMACD-VXGBXAGGSA-N 1 2 327.406 1.616 20 5 EDBDLO Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([C@H]2CCC[NH2+]C2)n1 ZINC000423732102 304906688 /nfs/dbraw/zinc/90/66/88/304906688.db2.gz OQVLXVZMOZTKGB-JTQLQIEISA-N 1 2 345.359 1.753 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H](O)C2(CC2)C1 ZINC000447811547 305286024 /nfs/dbraw/zinc/28/60/24/305286024.db2.gz GDNRTDMTZWNFLU-MRXNPFEDSA-N 1 2 333.388 1.388 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC(n2cc[nH+]c2)C1 ZINC000524400186 305815699 /nfs/dbraw/zinc/81/56/99/305815699.db2.gz OMCFZKUNCDJOCW-UHFFFAOYSA-N 1 2 330.300 1.260 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000540873548 306041149 /nfs/dbraw/zinc/04/11/49/306041149.db2.gz KKIYRXCKBWQJOG-GFCCVEGCSA-N 1 2 335.360 1.304 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000540873548 306041150 /nfs/dbraw/zinc/04/11/50/306041150.db2.gz KKIYRXCKBWQJOG-GFCCVEGCSA-N 1 2 335.360 1.304 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000543909606 306071368 /nfs/dbraw/zinc/07/13/68/306071368.db2.gz LXMVOPOHXSFWHC-UHFFFAOYSA-N 1 2 336.373 1.654 20 5 EDBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554858148 306198867 /nfs/dbraw/zinc/19/88/67/306198867.db2.gz KMEYRRKDVNAWIQ-UHFFFAOYSA-N 1 2 340.343 1.835 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000555584845 306203377 /nfs/dbraw/zinc/20/33/77/306203377.db2.gz QXVULGHZFIMPRZ-UHFFFAOYSA-N 1 2 338.389 1.466 20 5 EDBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)c[nH+]2)CCO1 ZINC000071954997 441201178 /nfs/dbraw/zinc/20/11/78/441201178.db2.gz AZKMPNOKDZNLDS-JTQLQIEISA-N 1 2 345.363 1.199 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105931345 441318433 /nfs/dbraw/zinc/31/84/33/441318433.db2.gz TWZWCGCMDMHBRC-UHFFFAOYSA-N 1 2 345.403 1.655 20 5 EDBDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000050992421 441395781 /nfs/dbraw/zinc/39/57/81/441395781.db2.gz POURCRRYJLFXTR-UHFFFAOYSA-N 1 2 334.376 1.442 20 5 EDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088757777 441518685 /nfs/dbraw/zinc/51/86/85/441518685.db2.gz LSTADUICUXBVDK-AWEZNQCLSA-N 1 2 347.419 1.431 20 5 EDBDLO CC(C)NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075618856 441542288 /nfs/dbraw/zinc/54/22/88/441542288.db2.gz MBSCEOYUUVRPTP-AWEZNQCLSA-N 1 2 334.420 1.798 20 5 EDBDLO CC(C)NC(=O)C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075618856 441542290 /nfs/dbraw/zinc/54/22/90/441542290.db2.gz MBSCEOYUUVRPTP-AWEZNQCLSA-N 1 2 334.420 1.798 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000041488333 441656891 /nfs/dbraw/zinc/65/68/91/441656891.db2.gz AZGLHNAHGMQCIU-LBPRGKRZSA-N 1 2 332.364 1.591 20 5 EDBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C(N)=O)O1 ZINC000092006737 441759519 /nfs/dbraw/zinc/75/95/19/441759519.db2.gz DQUMWFXPOIWTCN-BDJLRTHQSA-N 1 2 345.355 1.929 20 5 EDBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C(N)=O)O1 ZINC000092006737 441759522 /nfs/dbraw/zinc/75/95/22/441759522.db2.gz DQUMWFXPOIWTCN-BDJLRTHQSA-N 1 2 345.355 1.929 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000092843615 441833713 /nfs/dbraw/zinc/83/37/13/441833713.db2.gz YATLPALTLSGVBH-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000092843615 441833716 /nfs/dbraw/zinc/83/37/16/441833716.db2.gz YATLPALTLSGVBH-GFCCVEGCSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1cccc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000119259610 441925284 /nfs/dbraw/zinc/92/52/84/441925284.db2.gz BKKZZPRCLYISEQ-HNNXBMFYSA-N 1 2 332.360 1.873 20 5 EDBDLO COc1cccc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000119259610 441925289 /nfs/dbraw/zinc/92/52/89/441925289.db2.gz BKKZZPRCLYISEQ-HNNXBMFYSA-N 1 2 332.360 1.873 20 5 EDBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174092063 441886679 /nfs/dbraw/zinc/88/66/79/441886679.db2.gz AIZIIKNSHOJQAS-LLVKDONJSA-N 1 2 325.369 1.690 20 5 EDBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174092063 441886683 /nfs/dbraw/zinc/88/66/83/441886683.db2.gz AIZIIKNSHOJQAS-LLVKDONJSA-N 1 2 325.369 1.690 20 5 EDBDLO CS(=O)(=O)CCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000161132171 441961437 /nfs/dbraw/zinc/96/14/37/441961437.db2.gz RBKPIFSTUJXGGD-UHFFFAOYSA-N 1 2 341.433 1.542 20 5 EDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc(-c2cccnc2)no1 ZINC000120221722 442031647 /nfs/dbraw/zinc/03/16/47/442031647.db2.gz YZXUYDQJLKUHOZ-UHFFFAOYSA-N 1 2 329.320 1.368 20 5 EDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc(-c2cccnc2)no1 ZINC000120221722 442031653 /nfs/dbraw/zinc/03/16/53/442031653.db2.gz YZXUYDQJLKUHOZ-UHFFFAOYSA-N 1 2 329.320 1.368 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000126356672 442102833 /nfs/dbraw/zinc/10/28/33/442102833.db2.gz ASFAYVWWOUCOEK-UHFFFAOYSA-N 1 2 341.389 1.072 20 5 EDBDLO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000120615345 442104865 /nfs/dbraw/zinc/10/48/65/442104865.db2.gz ZNRFSPTZGQIOBZ-UHFFFAOYSA-N 1 2 330.348 1.462 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141719 442181497 /nfs/dbraw/zinc/18/14/97/442181497.db2.gz NNPSQXQLEUSDRE-OCCSQVGLSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000176141719 442181499 /nfs/dbraw/zinc/18/14/99/442181499.db2.gz NNPSQXQLEUSDRE-OCCSQVGLSA-N 1 2 336.392 1.594 20 5 EDBDLO Cc1c(CC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000120954932 442156727 /nfs/dbraw/zinc/15/67/27/442156727.db2.gz RZLUZFFQWHWNEY-ZIAGYGMSSA-N 1 2 335.404 1.671 20 5 EDBDLO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000152765278 442242278 /nfs/dbraw/zinc/24/22/78/442242278.db2.gz VFQVLENAZNZMQJ-VXGBXAGGSA-N 1 2 339.367 1.502 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nccn1C ZINC000153464611 442284190 /nfs/dbraw/zinc/28/41/90/442284190.db2.gz SFRBPECNJCKNMA-UHFFFAOYSA-N 1 2 347.375 1.798 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000153464611 442284193 /nfs/dbraw/zinc/28/41/93/442284193.db2.gz SFRBPECNJCKNMA-UHFFFAOYSA-N 1 2 347.375 1.798 20 5 EDBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170909576 442287170 /nfs/dbraw/zinc/28/71/70/442287170.db2.gz TVOAFSGNKAPOJT-ZDUSSCGKSA-N 1 2 345.359 1.745 20 5 EDBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170909576 442287173 /nfs/dbraw/zinc/28/71/73/442287173.db2.gz TVOAFSGNKAPOJT-ZDUSSCGKSA-N 1 2 345.359 1.745 20 5 EDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129979515 442336488 /nfs/dbraw/zinc/33/64/88/442336488.db2.gz YITDELYUSPCHPS-UHFFFAOYSA-N 1 2 326.316 1.407 20 5 EDBDLO Cn1c(Cl)cnc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179875190 442514348 /nfs/dbraw/zinc/51/43/48/442514348.db2.gz YCDLCLYOGHKWGY-UHFFFAOYSA-N 1 2 325.756 1.275 20 5 EDBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179875190 442514352 /nfs/dbraw/zinc/51/43/52/442514352.db2.gz YCDLCLYOGHKWGY-UHFFFAOYSA-N 1 2 325.756 1.275 20 5 EDBDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000186343678 442515770 /nfs/dbraw/zinc/51/57/70/442515770.db2.gz KTKSNYOOVNTSNH-UHFFFAOYSA-N 1 2 348.359 1.803 20 5 EDBDLO CC(C)[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182206784 442745244 /nfs/dbraw/zinc/74/52/44/442745244.db2.gz DUPCTVYBWBDPCO-UHFFFAOYSA-N 1 2 341.433 1.395 20 5 EDBDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268441758 442990325 /nfs/dbraw/zinc/99/03/25/442990325.db2.gz DCPITFXZIPPMAZ-AWEZNQCLSA-N 1 2 347.419 1.431 20 5 EDBDLO Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000295979172 318656040 /nfs/dbraw/zinc/65/60/40/318656040.db2.gz JWUFVKDEILJBCM-SNVBAGLBSA-N 1 2 349.322 1.382 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cc[nH+]1 ZINC000185429832 443198485 /nfs/dbraw/zinc/19/84/85/443198485.db2.gz FRASLSCQBHQVMT-UHFFFAOYSA-N 1 2 342.359 1.359 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191137580 443247622 /nfs/dbraw/zinc/24/76/22/443247622.db2.gz QJBQXAAEDQIMSN-NSHDSACASA-N 1 2 345.359 1.870 20 5 EDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191137580 443247624 /nfs/dbraw/zinc/24/76/24/443247624.db2.gz QJBQXAAEDQIMSN-NSHDSACASA-N 1 2 345.359 1.870 20 5 EDBDLO CNC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058002 319223300 /nfs/dbraw/zinc/22/33/00/319223300.db2.gz ZREVZPKJMVPLQS-LLVKDONJSA-N 1 2 349.391 1.315 20 5 EDBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264186548 443254871 /nfs/dbraw/zinc/25/48/71/443254871.db2.gz DAZJIIKELRVLAT-ZDUSSCGKSA-N 1 2 347.419 1.559 20 5 EDBDLO COc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000413966251 319307305 /nfs/dbraw/zinc/30/73/05/319307305.db2.gz KKXKFYVKGZCWBN-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO CN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000414121968 319317601 /nfs/dbraw/zinc/31/76/01/319317601.db2.gz FPRIKZIFBWPMCH-NSHDSACASA-N 1 2 329.784 1.235 20 5 EDBDLO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272549870 443360284 /nfs/dbraw/zinc/36/02/84/443360284.db2.gz KNQHHLLWFQUQNQ-NXEZZACHSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272549870 443360285 /nfs/dbraw/zinc/36/02/85/443360285.db2.gz KNQHHLLWFQUQNQ-NXEZZACHSA-N 1 2 327.768 1.889 20 5 EDBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000616365725 450402673 /nfs/dbraw/zinc/40/26/73/450402673.db2.gz NNBNVOXVJCXTGI-LLVKDONJSA-N 1 2 347.375 1.966 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278991379 443484266 /nfs/dbraw/zinc/48/42/66/443484266.db2.gz BIERYKZZSOPNGK-INIZCTEOSA-N 1 2 348.359 1.168 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278991379 443484269 /nfs/dbraw/zinc/48/42/69/443484269.db2.gz BIERYKZZSOPNGK-INIZCTEOSA-N 1 2 348.359 1.168 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000270993115 443486182 /nfs/dbraw/zinc/48/61/82/443486182.db2.gz FDJBEQMVFJBDDY-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000270993115 443486185 /nfs/dbraw/zinc/48/61/85/443486185.db2.gz FDJBEQMVFJBDDY-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000264891373 443468828 /nfs/dbraw/zinc/46/88/28/443468828.db2.gz XHCBQUBGSJRJOK-UHFFFAOYSA-N 1 2 345.446 1.230 20 5 EDBDLO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H]1[NH+](C)C ZINC000436960928 320028716 /nfs/dbraw/zinc/02/87/16/320028716.db2.gz SGIHJPUPBPVQOZ-DGCLKSJQSA-N 1 2 325.390 1.418 20 5 EDBDLO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000448982998 320169788 /nfs/dbraw/zinc/16/97/88/320169788.db2.gz YYRVNGTWFZPDRZ-INIZCTEOSA-N 1 2 330.344 1.937 20 5 EDBDLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC000457171583 320321839 /nfs/dbraw/zinc/32/18/39/320321839.db2.gz CRJMFTREQRLAAS-INIZCTEOSA-N 1 2 343.343 1.179 20 5 EDBDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000276488503 443723330 /nfs/dbraw/zinc/72/33/30/443723330.db2.gz UWGJTFMOVXJJIS-HNNXBMFYSA-N 1 2 335.360 1.773 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000285313506 443938218 /nfs/dbraw/zinc/93/82/18/443938218.db2.gz MGFUJTVRNQOYKH-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000285313506 443938220 /nfs/dbraw/zinc/93/82/20/443938220.db2.gz MGFUJTVRNQOYKH-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000293272161 443969026 /nfs/dbraw/zinc/96/90/26/443969026.db2.gz UZPFDRJNFPJHKF-KBPBESRZSA-N 1 2 333.388 1.920 20 5 EDBDLO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000277393157 443976513 /nfs/dbraw/zinc/97/65/13/443976513.db2.gz DPFMLHUEMDRIKB-UHFFFAOYSA-N 1 2 334.376 1.080 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C ZINC000299102348 443954836 /nfs/dbraw/zinc/95/48/36/443954836.db2.gz YEZBZNOBYZESQP-GFCCVEGCSA-N 1 2 338.389 1.775 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000281599503 443955613 /nfs/dbraw/zinc/95/56/13/443955613.db2.gz XZHLQMNWHLLCCR-ZDUSSCGKSA-N 1 2 345.407 1.620 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000281599503 443955618 /nfs/dbraw/zinc/95/56/18/443955618.db2.gz XZHLQMNWHLLCCR-ZDUSSCGKSA-N 1 2 345.407 1.620 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282339802 444152350 /nfs/dbraw/zinc/15/23/50/444152350.db2.gz VFHHOJVQUJWRPD-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282339802 444152355 /nfs/dbraw/zinc/15/23/55/444152355.db2.gz VFHHOJVQUJWRPD-GFCCVEGCSA-N 1 2 334.376 1.394 20 5 EDBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000301196675 444154111 /nfs/dbraw/zinc/15/41/11/444154111.db2.gz ZJJWPTNXJUTAOO-AWEZNQCLSA-N 1 2 329.360 1.958 20 5 EDBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000301196675 444154112 /nfs/dbraw/zinc/15/41/12/444154112.db2.gz ZJJWPTNXJUTAOO-AWEZNQCLSA-N 1 2 329.360 1.958 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289580773 444175934 /nfs/dbraw/zinc/17/59/34/444175934.db2.gz ZAVAFAHYUISIHW-JTQLQIEISA-N 1 2 333.348 1.394 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289580773 444175938 /nfs/dbraw/zinc/17/59/38/444175938.db2.gz ZAVAFAHYUISIHW-JTQLQIEISA-N 1 2 333.348 1.394 20 5 EDBDLO Cc1ccc(N2CC[NH+](CCN3C(=O)CCC3=O)CC2)c([N+](=O)[O-])c1 ZINC000301813125 444191881 /nfs/dbraw/zinc/19/18/81/444191881.db2.gz HSKPPXLUWJDWKY-UHFFFAOYSA-N 1 2 346.387 1.174 20 5 EDBDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000297564481 444301927 /nfs/dbraw/zinc/30/19/27/444301927.db2.gz BJXNMOGLFVOIEA-CQSZACIVSA-N 1 2 333.392 1.121 20 5 EDBDLO Cc1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000297986732 444378540 /nfs/dbraw/zinc/37/85/40/444378540.db2.gz WPDLHVHKXVJXSJ-NSHDSACASA-N 1 2 331.332 1.243 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000343722746 444545920 /nfs/dbraw/zinc/54/59/20/444545920.db2.gz MQHQVRDCCRGUON-TZMCWYRMSA-N 1 2 332.360 1.895 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000343722746 444545923 /nfs/dbraw/zinc/54/59/23/444545923.db2.gz MQHQVRDCCRGUON-TZMCWYRMSA-N 1 2 332.360 1.895 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341116068 444681670 /nfs/dbraw/zinc/68/16/70/444681670.db2.gz ZENVYHYXBFQQSE-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341116068 444681673 /nfs/dbraw/zinc/68/16/73/444681673.db2.gz ZENVYHYXBFQQSE-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000338538147 444739583 /nfs/dbraw/zinc/73/95/83/444739583.db2.gz RXFQPESQOPXBBI-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000338538147 444739586 /nfs/dbraw/zinc/73/95/86/444739586.db2.gz RXFQPESQOPXBBI-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CO[C@@H]1C[C@H](C(=O)N2CCCC2)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000344034299 444741729 /nfs/dbraw/zinc/74/17/29/444741729.db2.gz PANUCQNATRGAAW-GDBMZVCRSA-N 1 2 333.388 1.807 20 5 EDBDLO CO[C@@H]1C[C@H](C(=O)N2CCCC2)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000344034299 444741733 /nfs/dbraw/zinc/74/17/33/444741733.db2.gz PANUCQNATRGAAW-GDBMZVCRSA-N 1 2 333.388 1.807 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOCC12CC2 ZINC000338599962 444768634 /nfs/dbraw/zinc/76/86/34/444768634.db2.gz XSKHJHJFCMIMSA-UHFFFAOYSA-N 1 2 333.344 1.758 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCOCC12CC2 ZINC000338599962 444768637 /nfs/dbraw/zinc/76/86/37/444768637.db2.gz XSKHJHJFCMIMSA-UHFFFAOYSA-N 1 2 333.344 1.758 20 5 EDBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000339071628 445019199 /nfs/dbraw/zinc/01/91/99/445019199.db2.gz JGVCHGOFRUNLSI-OAHLLOKOSA-N 1 2 337.376 1.273 20 5 EDBDLO CS[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330603844 445057239 /nfs/dbraw/zinc/05/72/39/445057239.db2.gz KORFRNBDSCCDMB-OLZOCXBDSA-N 1 2 325.390 1.418 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c([N+](=O)[O-])c1 ZINC000339159430 445064986 /nfs/dbraw/zinc/06/49/86/445064986.db2.gz YCFJVNAWIKDFNA-UHFFFAOYSA-N 1 2 335.341 1.886 20 5 EDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330629796 445069931 /nfs/dbraw/zinc/06/99/31/445069931.db2.gz BNYIALDYMDGNLM-RYUDHWBXSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330629796 445069934 /nfs/dbraw/zinc/06/99/34/445069934.db2.gz BNYIALDYMDGNLM-RYUDHWBXSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330640259 445075296 /nfs/dbraw/zinc/07/52/96/445075296.db2.gz CJITVXWVYLCQSO-NOZJJQNGSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000330640259 445075301 /nfs/dbraw/zinc/07/53/01/445075301.db2.gz CJITVXWVYLCQSO-NOZJJQNGSA-N 1 2 327.768 1.889 20 5 EDBDLO COc1c(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000337612317 445167641 /nfs/dbraw/zinc/16/76/41/445167641.db2.gz ZIBKFEZLTRBEOE-AWEZNQCLSA-N 1 2 342.355 1.785 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330823721 445155235 /nfs/dbraw/zinc/15/52/35/445155235.db2.gz QHQHCIAZKCCVCE-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330823721 445155238 /nfs/dbraw/zinc/15/52/38/445155238.db2.gz QHQHCIAZKCCVCE-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000351850402 445342485 /nfs/dbraw/zinc/34/24/85/445342485.db2.gz SHBPFDUFGWVKSN-UHFFFAOYSA-N 1 2 336.373 1.613 20 5 EDBDLO COc1cc(C[NH+]2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000351970773 445408456 /nfs/dbraw/zinc/40/84/56/445408456.db2.gz IWVITINAAHTVGP-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCc1cnccn1 ZINC000357029694 445383860 /nfs/dbraw/zinc/38/38/60/445383860.db2.gz WIBSNFYUGKUTDE-UHFFFAOYSA-N 1 2 329.360 1.806 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCc1cnccn1 ZINC000357029694 445383863 /nfs/dbraw/zinc/38/38/63/445383863.db2.gz WIBSNFYUGKUTDE-UHFFFAOYSA-N 1 2 329.360 1.806 20 5 EDBDLO COc1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000349939758 445728228 /nfs/dbraw/zinc/72/82/28/445728228.db2.gz WOBNMWKJAUQYRM-UHFFFAOYSA-N 1 2 331.332 1.525 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](O)C(F)(F)F ZINC000350507809 445840983 /nfs/dbraw/zinc/84/09/83/445840983.db2.gz BHNCLFOZUXMVDA-CYBMUJFWSA-N 1 2 349.309 1.762 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000363518056 445842467 /nfs/dbraw/zinc/84/24/67/445842467.db2.gz QLHMFEXDLFKMPY-LBPRGKRZSA-N 1 2 339.417 1.983 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000350899285 445944174 /nfs/dbraw/zinc/94/41/74/445944174.db2.gz UHSBBOWRZFKVNC-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000350899285 445944180 /nfs/dbraw/zinc/94/41/80/445944180.db2.gz UHSBBOWRZFKVNC-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000369062443 445902333 /nfs/dbraw/zinc/90/23/33/445902333.db2.gz HXMWDOIVMQYFSP-CQSZACIVSA-N 1 2 346.387 1.184 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000369062443 445902338 /nfs/dbraw/zinc/90/23/38/445902338.db2.gz HXMWDOIVMQYFSP-CQSZACIVSA-N 1 2 346.387 1.184 20 5 EDBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354374025 446157900 /nfs/dbraw/zinc/15/79/00/446157900.db2.gz XKGHVKWWVUWXFO-UHFFFAOYSA-N 1 2 329.360 1.205 20 5 EDBDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000359489738 446254200 /nfs/dbraw/zinc/25/42/00/446254200.db2.gz TWWZFOJBPMQARF-UHFFFAOYSA-N 1 2 345.359 1.413 20 5 EDBDLO COc1ccc(C(=O)NC[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000365579611 446261457 /nfs/dbraw/zinc/26/14/57/446261457.db2.gz ARVQCVBLILCMLL-NSHDSACASA-N 1 2 330.344 1.792 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000362246260 446284324 /nfs/dbraw/zinc/28/43/24/446284324.db2.gz YIWSZHYVKQYWKV-UHFFFAOYSA-N 1 2 345.403 1.667 20 5 EDBDLO CCOC(=O)c1ccnc(N2CCn3cc(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000374712440 446387361 /nfs/dbraw/zinc/38/73/61/446387361.db2.gz CORNZCOZHFXKAF-UHFFFAOYSA-N 1 2 331.332 1.692 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000432886616 446514505 /nfs/dbraw/zinc/51/45/05/446514505.db2.gz DHJPCDQWTNYGID-CZUORRHYSA-N 1 2 344.371 1.907 20 5 EDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@H]1C(F)F ZINC000367994966 446617745 /nfs/dbraw/zinc/61/77/45/446617745.db2.gz WXENSJVFQCICQZ-JTQLQIEISA-N 1 2 325.275 1.150 20 5 EDBDLO CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433480061 446581469 /nfs/dbraw/zinc/58/14/69/446581469.db2.gz JWTCPGYGBQCTCB-CYBMUJFWSA-N 1 2 344.375 1.419 20 5 EDBDLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376756588 446699988 /nfs/dbraw/zinc/69/99/88/446699988.db2.gz CYNPYSRHXORFAW-GFCCVEGCSA-N 1 2 333.396 1.975 20 5 EDBDLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376756588 446699989 /nfs/dbraw/zinc/69/99/89/446699989.db2.gz CYNPYSRHXORFAW-GFCCVEGCSA-N 1 2 333.396 1.975 20 5 EDBDLO Cc1cccc(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1[N+](=O)[O-] ZINC000375355959 446745178 /nfs/dbraw/zinc/74/51/78/446745178.db2.gz LNIQXSAJKAKDAT-UHFFFAOYSA-N 1 2 332.404 1.646 20 5 EDBDLO Cc1cccc(N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1[N+](=O)[O-] ZINC000375355959 446745184 /nfs/dbraw/zinc/74/51/84/446745184.db2.gz LNIQXSAJKAKDAT-UHFFFAOYSA-N 1 2 332.404 1.646 20 5 EDBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1csnn1 ZINC000412041593 446802690 /nfs/dbraw/zinc/80/26/90/446802690.db2.gz NHWILHNPNQVURG-CABZTGNLSA-N 1 2 333.373 1.902 20 5 EDBDLO CC(=O)NC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413141492 447030331 /nfs/dbraw/zinc/03/03/31/447030331.db2.gz HKIOVQHQAZFVLU-CQSZACIVSA-N 1 2 330.344 1.484 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC23CCOCC3)cc1 ZINC000368894721 447186641 /nfs/dbraw/zinc/18/66/41/447186641.db2.gz HALCSRMKQMQOIB-UHFFFAOYSA-N 1 2 340.401 1.623 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC23CCOCC3)cc1 ZINC000368894721 447186647 /nfs/dbraw/zinc/18/66/47/447186647.db2.gz HALCSRMKQMQOIB-UHFFFAOYSA-N 1 2 340.401 1.623 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425497542 447192228 /nfs/dbraw/zinc/19/22/28/447192228.db2.gz CZDXBJOVNSGZHW-CYBMUJFWSA-N 1 2 344.375 1.770 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425497542 447192234 /nfs/dbraw/zinc/19/22/34/447192234.db2.gz CZDXBJOVNSGZHW-CYBMUJFWSA-N 1 2 344.375 1.770 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396813168 447547978 /nfs/dbraw/zinc/54/79/78/447547978.db2.gz DSOPEHLWIPDHBS-GXFFZTMASA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396813168 447547982 /nfs/dbraw/zinc/54/79/82/447547982.db2.gz DSOPEHLWIPDHBS-GXFFZTMASA-N 1 2 345.193 1.532 20 5 EDBDLO Cn1c[nH+]c(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000457847756 447647743 /nfs/dbraw/zinc/64/77/43/447647743.db2.gz CRCVVJLPIQOQPU-UHFFFAOYSA-N 1 2 340.286 1.902 20 5 EDBDLO Cn1c[nH+]c(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000457876454 447658638 /nfs/dbraw/zinc/65/86/38/447658638.db2.gz HFZHPAOYMKTZIY-UHFFFAOYSA-N 1 2 343.387 1.901 20 5 EDBDLO C[C@H](O)CNc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc[nH+]1 ZINC000556840062 448163286 /nfs/dbraw/zinc/16/32/86/448163286.db2.gz VLDKJLJYIZKCEU-NSHDSACASA-N 1 2 329.360 1.740 20 5 EDBDLO C[C@H](O)CNc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]cn1 ZINC000556840062 448163290 /nfs/dbraw/zinc/16/32/90/448163290.db2.gz VLDKJLJYIZKCEU-NSHDSACASA-N 1 2 329.360 1.740 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000576938756 448175767 /nfs/dbraw/zinc/17/57/67/448175767.db2.gz IQIBDNPDPVLOHA-NSHDSACASA-N 1 2 327.406 1.482 20 5 EDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000576938756 448175768 /nfs/dbraw/zinc/17/57/68/448175768.db2.gz IQIBDNPDPVLOHA-NSHDSACASA-N 1 2 327.406 1.482 20 5 EDBDLO C[C@@H]1C[NH+](CCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000582431600 448239275 /nfs/dbraw/zinc/23/92/75/448239275.db2.gz KRCZFUSPCPKRJZ-VXGBXAGGSA-N 1 2 348.359 1.521 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515436193 448312608 /nfs/dbraw/zinc/31/26/08/448312608.db2.gz MJMQLBCGYAWECM-LBPRGKRZSA-N 1 2 344.306 1.710 20 5 EDBDLO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCOCC1 ZINC000517029444 448527596 /nfs/dbraw/zinc/52/75/96/448527596.db2.gz OIGVHJOTDLFCAP-UHFFFAOYSA-N 1 2 334.332 1.134 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000586772782 448808126 /nfs/dbraw/zinc/80/81/26/448808126.db2.gz ZBDINNJBGFHINN-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000586772782 448808131 /nfs/dbraw/zinc/80/81/31/448808131.db2.gz ZBDINNJBGFHINN-LLVKDONJSA-N 1 2 343.405 1.318 20 5 EDBDLO CCOC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]n1 ZINC000592513691 448873583 /nfs/dbraw/zinc/87/35/83/448873583.db2.gz BYPPABMBIHBSDG-UHFFFAOYSA-N 1 2 348.363 1.528 20 5 EDBDLO CC(=O)NCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000568508320 448880801 /nfs/dbraw/zinc/88/08/01/448880801.db2.gz ZHYAWHPPXCTAPV-JTQLQIEISA-N 1 2 333.348 1.774 20 5 EDBDLO CC(=O)NCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000568508320 448880805 /nfs/dbraw/zinc/88/08/05/448880805.db2.gz ZHYAWHPPXCTAPV-JTQLQIEISA-N 1 2 333.348 1.774 20 5 EDBDLO COCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000589513048 449028985 /nfs/dbraw/zinc/02/89/85/449028985.db2.gz RZVKILOXQSJTLL-CQSZACIVSA-N 1 2 338.360 1.619 20 5 EDBDLO COCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000589513048 449028990 /nfs/dbraw/zinc/02/89/90/449028990.db2.gz RZVKILOXQSJTLL-CQSZACIVSA-N 1 2 338.360 1.619 20 5 EDBDLO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000590298431 449126078 /nfs/dbraw/zinc/12/60/78/449126078.db2.gz AWXQNXWIFFCGRE-CQSZACIVSA-N 1 2 347.415 1.806 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)nc1 ZINC000593592824 449094798 /nfs/dbraw/zinc/09/47/98/449094798.db2.gz OKAVNENKRRKAAF-UHFFFAOYSA-N 1 2 337.361 1.001 20 5 EDBDLO COC(=O)C12CC(C1)C[N@@H+]2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595676074 449114878 /nfs/dbraw/zinc/11/48/78/449114878.db2.gz XIBYDOZETBXQEI-UHFFFAOYSA-N 1 2 336.344 1.620 20 5 EDBDLO COC(=O)C12CC(C1)C[N@H+]2CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595676074 449114881 /nfs/dbraw/zinc/11/48/81/449114881.db2.gz XIBYDOZETBXQEI-UHFFFAOYSA-N 1 2 336.344 1.620 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CCn4c[nH+]cc4C3)o2)cc1 ZINC000590598977 449211545 /nfs/dbraw/zinc/21/15/45/449211545.db2.gz AUGPOMMMYFJFFU-UHFFFAOYSA-N 1 2 326.316 1.857 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)OCCO2 ZINC000611273799 449245345 /nfs/dbraw/zinc/24/53/45/449245345.db2.gz AGJFIHQFQDXWOM-ZDUSSCGKSA-N 1 2 348.277 1.865 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)OCCO2 ZINC000611273799 449245349 /nfs/dbraw/zinc/24/53/49/449245349.db2.gz AGJFIHQFQDXWOM-ZDUSSCGKSA-N 1 2 348.277 1.865 20 5 EDBDLO CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000590741912 449264071 /nfs/dbraw/zinc/26/40/71/449264071.db2.gz LBZJHCNOXHBLJH-GFCCVEGCSA-N 1 2 343.343 1.131 20 5 EDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000593447687 449289034 /nfs/dbraw/zinc/28/90/34/449289034.db2.gz GVBHNLBIIZINJX-UHFFFAOYSA-N 1 2 331.303 1.961 20 5 EDBDLO CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000590757114 449276323 /nfs/dbraw/zinc/27/63/23/449276323.db2.gz DKJYPUBEDUOIHI-GFCCVEGCSA-N 1 2 343.343 1.131 20 5 EDBDLO O=c1[nH]ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000596088244 449357413 /nfs/dbraw/zinc/35/74/13/449357413.db2.gz JJDCNASLNWGHKD-AWEZNQCLSA-N 1 2 340.405 1.315 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611540206 449330185 /nfs/dbraw/zinc/33/01/85/449330185.db2.gz MIBOECWKOSXEAM-CYBMUJFWSA-N 1 2 341.433 1.493 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611540206 449330192 /nfs/dbraw/zinc/33/01/92/449330192.db2.gz MIBOECWKOSXEAM-CYBMUJFWSA-N 1 2 341.433 1.493 20 5 EDBDLO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000598540346 449454625 /nfs/dbraw/zinc/45/46/25/449454625.db2.gz OBQJYBRMSNTUOI-CYBMUJFWSA-N 1 2 337.376 1.483 20 5 EDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(C4CS(=O)(=O)C4)C3)c2c1 ZINC000596253970 449440940 /nfs/dbraw/zinc/44/09/40/449440940.db2.gz JCHAHLJMVHQNAH-UHFFFAOYSA-N 1 2 333.369 1.624 20 5 EDBDLO COc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594511835 449559356 /nfs/dbraw/zinc/55/93/56/449559356.db2.gz RKYAREDMTXTLKT-ZDUSSCGKSA-N 1 2 333.348 1.863 20 5 EDBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000594616399 449595264 /nfs/dbraw/zinc/59/52/64/449595264.db2.gz AXXRBXRQZRCWSN-OAHLLOKOSA-N 1 2 335.404 1.987 20 5 EDBDLO CN1CC[NH+](CCn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000600966172 449619879 /nfs/dbraw/zinc/61/98/79/449619879.db2.gz COAHLAMPWHCZNA-UHFFFAOYSA-N 1 2 346.391 1.013 20 5 EDBDLO COC(=O)c1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1 ZINC000598946171 449664271 /nfs/dbraw/zinc/66/42/71/449664271.db2.gz DGTXTDRQZPELAZ-GFCCVEGCSA-N 1 2 344.327 1.323 20 5 EDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947718 449665834 /nfs/dbraw/zinc/66/58/34/449665834.db2.gz NAGWHQHEQJVCOP-ZDUSSCGKSA-N 1 2 339.355 1.877 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601151037 449719144 /nfs/dbraw/zinc/71/91/44/449719144.db2.gz MTXUGLWNEIYRSS-GFCCVEGCSA-N 1 2 332.339 1.630 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601151037 449719148 /nfs/dbraw/zinc/71/91/48/449719148.db2.gz MTXUGLWNEIYRSS-GFCCVEGCSA-N 1 2 332.339 1.630 20 5 EDBDLO Cn1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])n1 ZINC000602637987 449721318 /nfs/dbraw/zinc/72/13/18/449721318.db2.gz PUJSMLLBYANQBU-GFCCVEGCSA-N 1 2 335.339 1.906 20 5 EDBDLO Cn1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])n1 ZINC000602637987 449721326 /nfs/dbraw/zinc/72/13/26/449721326.db2.gz PUJSMLLBYANQBU-GFCCVEGCSA-N 1 2 335.339 1.906 20 5 EDBDLO CS(=O)(=O)N1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599095543 449728771 /nfs/dbraw/zinc/72/87/71/449728771.db2.gz GQNGPVCUHIEMHE-NSHDSACASA-N 1 2 336.373 1.589 20 5 EDBDLO O=[N+]([O-])c1ccc(CCN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000602742252 449777448 /nfs/dbraw/zinc/77/74/48/449777448.db2.gz AJWAIKZOQKFKLE-UHFFFAOYSA-N 1 2 341.415 1.788 20 5 EDBDLO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000601205108 449749715 /nfs/dbraw/zinc/74/97/15/449749715.db2.gz WQZSQOQHNZBHOU-CQSZACIVSA-N 1 2 347.350 1.837 20 5 EDBDLO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000601205108 449749722 /nfs/dbraw/zinc/74/97/22/449749722.db2.gz WQZSQOQHNZBHOU-CQSZACIVSA-N 1 2 347.350 1.837 20 5 EDBDLO COC(=O)C[N@@H+](CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799170 449818345 /nfs/dbraw/zinc/81/83/45/449818345.db2.gz BLKZOOOGLGGSRS-UHFFFAOYSA-N 1 2 346.387 1.817 20 5 EDBDLO COC(=O)C[N@H+](CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799170 449818350 /nfs/dbraw/zinc/81/83/50/449818350.db2.gz BLKZOOOGLGGSRS-UHFFFAOYSA-N 1 2 346.387 1.817 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])O1 ZINC000602822942 449834124 /nfs/dbraw/zinc/83/41/24/449834124.db2.gz HLKQTCGZULBOHQ-JHEVNIALSA-N 1 2 338.364 1.012 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])O1 ZINC000602822942 449834127 /nfs/dbraw/zinc/83/41/27/449834127.db2.gz HLKQTCGZULBOHQ-JHEVNIALSA-N 1 2 338.364 1.012 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000602862493 449871200 /nfs/dbraw/zinc/87/12/00/449871200.db2.gz JKIMGGGKCFYGBI-UHFFFAOYSA-N 1 2 331.380 1.160 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000602862493 449871206 /nfs/dbraw/zinc/87/12/06/449871206.db2.gz JKIMGGGKCFYGBI-UHFFFAOYSA-N 1 2 331.380 1.160 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602950256 449951489 /nfs/dbraw/zinc/95/14/89/449951489.db2.gz JJURHYCLSVGNAD-GDBMZVCRSA-N 1 2 338.360 1.626 20 5 EDBDLO 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WTZDQTXYEIZWEL-SNVBAGLBSA-N 1 2 338.316 1.201 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2C)C[N@@H+]1C ZINC000893586862 590991915 /nfs/dbraw/zinc/99/19/15/590991915.db2.gz XHRAYFNTMHBILF-LRDDRELGSA-N 1 2 336.344 1.696 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2C)C[N@H+]1C ZINC000893586862 590991917 /nfs/dbraw/zinc/99/19/17/590991917.db2.gz XHRAYFNTMHBILF-LRDDRELGSA-N 1 2 336.344 1.696 20 5 EDBDLO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898484466 591370279 /nfs/dbraw/zinc/37/02/79/591370279.db2.gz UEWLZRZBVLCCTM-GFCCVEGCSA-N 1 2 325.340 1.767 20 5 EDBDLO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898484466 591370285 /nfs/dbraw/zinc/37/02/85/591370285.db2.gz UEWLZRZBVLCCTM-GFCCVEGCSA-N 1 2 325.340 1.767 20 5 EDBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283758 593149687 /nfs/dbraw/zinc/14/96/87/593149687.db2.gz ISPCMVVRDWYFSH-QLFBSQMISA-N 1 2 336.344 1.035 20 5 EDBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283758 593149688 /nfs/dbraw/zinc/14/96/88/593149688.db2.gz ISPCMVVRDWYFSH-QLFBSQMISA-N 1 2 336.344 1.035 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000840143283 593286943 /nfs/dbraw/zinc/28/69/43/593286943.db2.gz WFGGMCJARJWYFQ-INIZCTEOSA-N 1 2 333.344 1.963 20 5 EDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000840143283 593286946 /nfs/dbraw/zinc/28/69/46/593286946.db2.gz WFGGMCJARJWYFQ-INIZCTEOSA-N 1 2 333.344 1.963 20 5 EDBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840147481 593291783 /nfs/dbraw/zinc/29/17/83/593291783.db2.gz RQZALMCCQQMYLT-CYBMUJFWSA-N 1 2 346.391 1.638 20 5 EDBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840147481 593291785 /nfs/dbraw/zinc/29/17/85/593291785.db2.gz RQZALMCCQQMYLT-CYBMUJFWSA-N 1 2 346.391 1.638 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000839447310 593301446 /nfs/dbraw/zinc/30/14/46/593301446.db2.gz WGHCYARCIZBWIC-UHFFFAOYSA-N 1 2 333.304 1.517 20 5 EDBDLO C[S@@](=O)CC[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804498148 593419575 /nfs/dbraw/zinc/41/95/75/593419575.db2.gz MNVYNEOPIFLQEE-HSZRJFAPSA-N 1 2 342.377 1.004 20 5 EDBDLO CO[C@@H]1C[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000840055126 593429973 /nfs/dbraw/zinc/42/99/73/593429973.db2.gz UHLCZIVNKMBTHI-SRCQZFHVSA-N 1 2 349.387 1.846 20 5 EDBDLO CO[C@@H]1C[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000840055126 593429975 /nfs/dbraw/zinc/42/99/75/593429975.db2.gz UHLCZIVNKMBTHI-SRCQZFHVSA-N 1 2 349.387 1.846 20 5 EDBDLO NC(=O)c1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000811771046 593480954 /nfs/dbraw/zinc/48/09/54/593480954.db2.gz ITMVYKTXCLDOKA-UHFFFAOYSA-N 1 2 338.327 1.887 20 5 EDBDLO Cc1cnn([C@@H]2CC[N@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000811800549 593483016 /nfs/dbraw/zinc/48/30/16/593483016.db2.gz VYYVWECJVHTHME-CYBMUJFWSA-N 1 2 343.343 1.912 20 5 EDBDLO Cc1cnn([C@@H]2CC[N@@H+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000811800549 593483017 /nfs/dbraw/zinc/48/30/17/593483017.db2.gz VYYVWECJVHTHME-CYBMUJFWSA-N 1 2 343.343 1.912 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000840267405 593508847 /nfs/dbraw/zinc/50/88/47/593508847.db2.gz QXYGAGKSIDVFBY-DEOSSOPVSA-N 1 2 348.428 1.644 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823939350 593891100 /nfs/dbraw/zinc/89/11/00/593891100.db2.gz SFWJIZOTEFGBLQ-WCQYABFASA-N 1 2 349.391 1.504 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830886423 594505871 /nfs/dbraw/zinc/50/58/71/594505871.db2.gz PKQQVFKDMOFTNZ-CMPLNLGQSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830886423 594505873 /nfs/dbraw/zinc/50/58/73/594505873.db2.gz PKQQVFKDMOFTNZ-CMPLNLGQSA-N 1 2 328.752 1.604 20 5 EDBDLO CN1C[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000835258949 594805551 /nfs/dbraw/zinc/80/55/51/594805551.db2.gz MPKAFTAXLQSMQA-LLVKDONJSA-N 1 2 330.300 1.168 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844757074 595390779 /nfs/dbraw/zinc/39/07/79/595390779.db2.gz NETZDINDARYLOI-SCRDCRAPSA-N 1 2 339.298 1.686 20 5 EDBDLO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844757074 595390782 /nfs/dbraw/zinc/39/07/82/595390782.db2.gz NETZDINDARYLOI-SCRDCRAPSA-N 1 2 339.298 1.686 20 5 EDBDLO O=CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000847368873 595405339 /nfs/dbraw/zinc/40/53/39/595405339.db2.gz KTLIELSSUCFFOI-UHFFFAOYSA-N 1 2 343.343 1.085 20 5 EDBDLO C[C@]12COC[C@H]1C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C2 ZINC000853567731 595808153 /nfs/dbraw/zinc/80/81/53/595808153.db2.gz XBXNYPJIYTZKDV-KCJUWKMLSA-N 1 2 331.170 1.480 20 5 EDBDLO C[C@]12COC[C@H]1C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C2 ZINC000853567731 595808151 /nfs/dbraw/zinc/80/81/51/595808151.db2.gz XBXNYPJIYTZKDV-KCJUWKMLSA-N 1 2 331.170 1.480 20 5 EDBDLO O=C(OC[C@H]1[C@@H]2COC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851487807 595823270 /nfs/dbraw/zinc/82/32/70/595823270.db2.gz VEBGKKPXMIJXBG-ITGUQSILSA-N 1 2 329.312 1.830 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859246219 596016687 /nfs/dbraw/zinc/01/66/87/596016687.db2.gz IWVIRURGHZHSRZ-SNVBAGLBSA-N 1 2 327.768 1.387 20 5 EDBDLO Cc1cc(F)cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000119166884 596451316 /nfs/dbraw/zinc/45/13/16/596451316.db2.gz BDUPFLFFYVKWGS-ZWNOBZJWSA-N 1 2 325.340 1.491 20 5 EDBDLO Cc1cc(F)cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000119166884 596451318 /nfs/dbraw/zinc/45/13/18/596451318.db2.gz BDUPFLFFYVKWGS-ZWNOBZJWSA-N 1 2 325.340 1.491 20 5 EDBDLO CC(C)(CNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+]1CCOCC1 ZINC000865406963 596564932 /nfs/dbraw/zinc/56/49/32/596564932.db2.gz OMGSINRDNYVBQF-UHFFFAOYSA-N 1 2 327.356 1.749 20 5 EDBDLO C[C@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000874625422 597131224 /nfs/dbraw/zinc/13/12/24/597131224.db2.gz ZUYCPIBCVAUOSN-NHYWBVRUSA-N 1 2 331.376 1.808 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874704629 597148531 /nfs/dbraw/zinc/14/85/31/597148531.db2.gz YPXMBKFFFIEPIA-LBPRGKRZSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874704629 597148532 /nfs/dbraw/zinc/14/85/32/597148532.db2.gz YPXMBKFFFIEPIA-LBPRGKRZSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000874705268 597149425 /nfs/dbraw/zinc/14/94/25/597149425.db2.gz BTSBIJHTYBDNAM-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000874705268 597149426 /nfs/dbraw/zinc/14/94/26/597149426.db2.gz BTSBIJHTYBDNAM-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000874710967 597155968 /nfs/dbraw/zinc/15/59/68/597155968.db2.gz DTNJUWAUBNGXBF-NSHDSACASA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000874710967 597155971 /nfs/dbraw/zinc/15/59/71/597155971.db2.gz DTNJUWAUBNGXBF-NSHDSACASA-N 1 2 325.340 1.575 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001060480111 695447735 /nfs/dbraw/zinc/44/77/35/695447735.db2.gz ATYYFVAUKVDOPQ-LAQFHYBYSA-N 1 2 341.371 1.420 20 5 EDBDLO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1F ZINC001031661746 697435487 /nfs/dbraw/zinc/43/54/87/697435487.db2.gz GXVLLYGYDJOMLN-TZMCWYRMSA-N 1 2 337.351 1.048 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)Cc2ccco2)CC1 ZINC001003824488 710628635 /nfs/dbraw/zinc/62/86/35/710628635.db2.gz TUEMAPVYFJIRIV-UHFFFAOYSA-N 1 2 347.375 1.245 20 5 EDBDLO COCC(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413060110 304054329 /nfs/dbraw/zinc/05/43/29/304054329.db2.gz IVTDMJIGWPICOF-UHFFFAOYSA-N 1 2 330.344 1.438 20 5 EDBDLO Cn1cc[nH+]c1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000123513029 138319046 /nfs/dbraw/zinc/31/90/46/138319046.db2.gz MKMLHALKSWQIAN-HNNXBMFYSA-N 1 2 329.316 1.296 20 5 EDBDLO CCC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000450252099 305328578 /nfs/dbraw/zinc/32/85/78/305328578.db2.gz GHLXUJFYKBMTOW-LLVKDONJSA-N 1 2 327.406 1.575 20 5 EDBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)S1 ZINC000073118721 203256645 /nfs/dbraw/zinc/25/66/45/203256645.db2.gz IPJWJNUSKYIMDB-VIFPVBQESA-N 1 2 340.430 1.905 20 5 EDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000074766496 203292974 /nfs/dbraw/zinc/29/29/74/203292974.db2.gz ANQNINNPRQVIRL-UHFFFAOYSA-N 1 2 325.390 1.311 20 5 EDBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245680710 139082871 /nfs/dbraw/zinc/08/28/71/139082871.db2.gz PDKQQWDXKDWPQE-HIFRSBDPSA-N 1 2 347.375 1.300 20 5 EDBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245680710 139082872 /nfs/dbraw/zinc/08/28/72/139082872.db2.gz PDKQQWDXKDWPQE-HIFRSBDPSA-N 1 2 347.375 1.300 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000266443304 139535791 /nfs/dbraw/zinc/53/57/91/139535791.db2.gz NETIURCVBYUNKR-CYBMUJFWSA-N 1 2 345.359 1.127 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000027629954 135596439 /nfs/dbraw/zinc/59/64/39/135596439.db2.gz PCOVNPDPUJGUPB-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO Cc1nc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCCCC2)no1 ZINC000270468233 140105703 /nfs/dbraw/zinc/10/57/03/140105703.db2.gz BQIBJNUWMDLSOK-UHFFFAOYSA-N 1 2 347.375 1.897 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000271010058 140219609 /nfs/dbraw/zinc/21/96/09/140219609.db2.gz HROKYIGIVBCHEA-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000271010058 140219611 /nfs/dbraw/zinc/21/96/11/140219611.db2.gz HROKYIGIVBCHEA-UHFFFAOYSA-N 1 2 343.405 1.318 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000345380476 143084164 /nfs/dbraw/zinc/08/41/64/143084164.db2.gz HTSVVCHWRMRVRX-AWEZNQCLSA-N 1 2 335.404 1.707 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000345564044 143106296 /nfs/dbraw/zinc/10/62/96/143106296.db2.gz DMGSBPGBRVKHQJ-HUUCEWRRSA-N 1 2 348.403 1.980 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000345564044 143106297 /nfs/dbraw/zinc/10/62/97/143106297.db2.gz DMGSBPGBRVKHQJ-HUUCEWRRSA-N 1 2 348.403 1.980 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H]1C ZINC000346640923 143225150 /nfs/dbraw/zinc/22/51/50/143225150.db2.gz KJAARVXPXONHHQ-VXGBXAGGSA-N 1 2 335.360 1.725 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H]1C ZINC000346640923 143225151 /nfs/dbraw/zinc/22/51/51/143225151.db2.gz KJAARVXPXONHHQ-VXGBXAGGSA-N 1 2 335.360 1.725 20 5 EDBDLO O=C(NC[C@@H](O)C(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000355163413 150148624 /nfs/dbraw/zinc/14/86/24/150148624.db2.gz XRMNDNFVIFGSOK-LLVKDONJSA-N 1 2 326.259 1.136 20 5 EDBDLO COC(=O)c1cc(C(=O)N2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000357555342 151066085 /nfs/dbraw/zinc/06/60/85/151066085.db2.gz HEZFJSHBLLTUMC-UHFFFAOYSA-N 1 2 330.300 1.234 20 5 EDBDLO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000359777133 151818097 /nfs/dbraw/zinc/81/80/97/151818097.db2.gz FIXGMVIMGBNEDJ-ABAIWWIYSA-N 1 2 337.351 1.527 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000364866339 153355805 /nfs/dbraw/zinc/35/58/05/153355805.db2.gz WVPRCTLCBKVJNX-YGRLFVJLSA-N 1 2 335.360 1.387 20 5 EDBDLO 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O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000182172592 442742339 /nfs/dbraw/zinc/74/23/39/442742339.db2.gz RPPGXEXGLDPJQS-ZDUSSCGKSA-N 1 2 342.417 1.605 20 5 EDBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182221348 442746732 /nfs/dbraw/zinc/74/67/32/442746732.db2.gz OBOHXOQPPFWBGU-TZMCWYRMSA-N 1 2 342.417 1.604 20 5 EDBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182221348 442746736 /nfs/dbraw/zinc/74/67/36/442746736.db2.gz OBOHXOQPPFWBGU-TZMCWYRMSA-N 1 2 342.417 1.604 20 5 EDBDLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182596282 442793053 /nfs/dbraw/zinc/79/30/53/442793053.db2.gz QMRDUQRFMSECLJ-OAHLLOKOSA-N 1 2 343.343 1.491 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000412107850 319225832 /nfs/dbraw/zinc/22/58/32/319225832.db2.gz RPAQXALQLHZSKY-GXFFZTMASA-N 1 2 334.294 1.789 20 5 EDBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000412107850 319225833 /nfs/dbraw/zinc/22/58/33/319225833.db2.gz RPAQXALQLHZSKY-GXFFZTMASA-N 1 2 334.294 1.789 20 5 EDBDLO CCC[C@H](O)[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413488852 319270738 /nfs/dbraw/zinc/27/07/38/319270738.db2.gz BFNFQOFWPRBVTH-CABCVRRESA-N 1 2 346.387 1.716 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269479830 443319388 /nfs/dbraw/zinc/31/93/88/443319388.db2.gz KBKWHOJKANUANM-LLVKDONJSA-N 1 2 332.364 1.943 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269479830 443319392 /nfs/dbraw/zinc/31/93/92/443319392.db2.gz KBKWHOJKANUANM-LLVKDONJSA-N 1 2 332.364 1.943 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267073272 443333031 /nfs/dbraw/zinc/33/30/31/443333031.db2.gz BIACZMOGNQZWAV-UHFFFAOYSA-N 1 2 331.332 1.063 20 5 EDBDLO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1C(F)(F)F ZINC000269369938 443295671 /nfs/dbraw/zinc/29/56/71/443295671.db2.gz PAURRIHVHUUONO-LLVKDONJSA-N 1 2 349.309 1.719 20 5 EDBDLO COC[C@@H](C)OC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000278632693 443384966 /nfs/dbraw/zinc/38/49/66/443384966.db2.gz LKIPLJXNVYFUFQ-DOMZBBRYSA-N 1 2 335.360 1.871 20 5 EDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420449346 319620963 /nfs/dbraw/zinc/62/09/63/319620963.db2.gz XIOVZUTWJFPYEC-CYBMUJFWSA-N 1 2 331.369 1.058 20 5 EDBDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000282810149 443440472 /nfs/dbraw/zinc/44/04/72/443440472.db2.gz BGSXGVDZLKIRQC-ZDUSSCGKSA-N 1 2 331.332 1.312 20 5 EDBDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000282810149 443440474 /nfs/dbraw/zinc/44/04/74/443440474.db2.gz BGSXGVDZLKIRQC-ZDUSSCGKSA-N 1 2 331.332 1.312 20 5 EDBDLO COC(=O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000267400742 443444545 /nfs/dbraw/zinc/44/45/45/443444545.db2.gz MTRXHOHFMOOIEA-UHFFFAOYSA-N 1 2 335.360 1.306 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cs1 ZINC000278810970 443448964 /nfs/dbraw/zinc/44/89/64/443448964.db2.gz GPIMKJFGRYAWBJ-LBPRGKRZSA-N 1 2 345.446 1.656 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cs1 ZINC000278810970 443448966 /nfs/dbraw/zinc/44/89/66/443448966.db2.gz GPIMKJFGRYAWBJ-LBPRGKRZSA-N 1 2 345.446 1.656 20 5 EDBDLO CNC(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448974767 320168144 /nfs/dbraw/zinc/16/81/44/320168144.db2.gz DIXJYZIIYVAETI-UHFFFAOYSA-N 1 2 331.332 1.037 20 5 EDBDLO CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000450037101 320209891 /nfs/dbraw/zinc/20/98/91/320209891.db2.gz CRZYVLWVXDRDTQ-GFCCVEGCSA-N 1 2 343.343 1.131 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280291668 443692823 /nfs/dbraw/zinc/69/28/23/443692823.db2.gz FFWSAIMLSBDQOG-IIYDPXPESA-N 1 2 349.387 1.802 20 5 EDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280291668 443692824 /nfs/dbraw/zinc/69/28/24/443692824.db2.gz FFWSAIMLSBDQOG-IIYDPXPESA-N 1 2 349.387 1.802 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(F)c1 ZINC000293007490 443900526 /nfs/dbraw/zinc/90/05/26/443900526.db2.gz PJMICUCOSKEFDI-AWEZNQCLSA-N 1 2 335.339 1.655 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(F)c1 ZINC000293007490 443900530 /nfs/dbraw/zinc/90/05/30/443900530.db2.gz PJMICUCOSKEFDI-AWEZNQCLSA-N 1 2 335.339 1.655 20 5 EDBDLO COCCOCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288735455 443968405 /nfs/dbraw/zinc/96/84/05/443968405.db2.gz FIILXIOAAQOBBK-UHFFFAOYSA-N 1 2 336.348 1.740 20 5 EDBDLO COCCOCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288735455 443968410 /nfs/dbraw/zinc/96/84/10/443968410.db2.gz FIILXIOAAQOBBK-UHFFFAOYSA-N 1 2 336.348 1.740 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000299300996 444010829 /nfs/dbraw/zinc/01/08/29/444010829.db2.gz MXOUAOVCZODULO-UHFFFAOYSA-N 1 2 343.343 1.389 20 5 EDBDLO Cc1sc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285687610 444074059 /nfs/dbraw/zinc/07/40/59/444074059.db2.gz GSUFWXBIRBIVAL-CMPLNLGQSA-N 1 2 339.417 1.900 20 5 EDBDLO Cc1cc(N2CCNC(=O)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301090525 444144042 /nfs/dbraw/zinc/14/40/42/444144042.db2.gz LQMQMMUWAGMTIH-UHFFFAOYSA-N 1 2 327.344 1.687 20 5 EDBDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301763222 444189396 /nfs/dbraw/zinc/18/93/96/444189396.db2.gz GULYJMAVJVWWSG-SECBINFHSA-N 1 2 344.318 1.192 20 5 EDBDLO Cc1ccc([C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000305325237 444268782 /nfs/dbraw/zinc/26/87/82/444268782.db2.gz MAZZUMFJJCMFAV-DZGCQCFKSA-N 1 2 336.348 1.127 20 5 EDBDLO Cc1ccc([C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)o1 ZINC000305325237 444268783 /nfs/dbraw/zinc/26/87/83/444268783.db2.gz MAZZUMFJJCMFAV-DZGCQCFKSA-N 1 2 336.348 1.127 20 5 EDBDLO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000577176059 321629747 /nfs/dbraw/zinc/62/97/47/321629747.db2.gz MAIMOBYZXDWDDT-OWRWGESLSA-N 1 2 335.360 1.771 20 5 EDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000331140386 444412978 /nfs/dbraw/zinc/41/29/78/444412978.db2.gz DZLKBRHSCOCJNI-WHLKRNRTSA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000331140386 444412983 /nfs/dbraw/zinc/41/29/83/444412983.db2.gz DZLKBRHSCOCJNI-WHLKRNRTSA-N 1 2 342.417 1.176 20 5 EDBDLO CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340819722 444524796 /nfs/dbraw/zinc/52/47/96/444524796.db2.gz IKURTKQTMBCYOC-JTQLQIEISA-N 1 2 345.446 1.733 20 5 EDBDLO CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000340819722 444524798 /nfs/dbraw/zinc/52/47/98/444524798.db2.gz IKURTKQTMBCYOC-JTQLQIEISA-N 1 2 345.446 1.733 20 5 EDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000344189866 444830117 /nfs/dbraw/zinc/83/01/17/444830117.db2.gz PBOSEBPKEZOWFG-LLVKDONJSA-N 1 2 341.331 1.191 20 5 EDBDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2[nH+]1 ZINC000338921842 444932781 /nfs/dbraw/zinc/93/27/81/444932781.db2.gz VWLKYTOSWNMSOG-UHFFFAOYSA-N 1 2 329.320 1.523 20 5 EDBDLO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH+]1C ZINC000339073743 445020596 /nfs/dbraw/zinc/02/05/96/445020596.db2.gz MCRVMSCIZVJOJC-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330491226 445003764 /nfs/dbraw/zinc/00/37/64/445003764.db2.gz NOJSWJXNTWXPRR-LLVKDONJSA-N 1 2 343.405 1.062 20 5 EDBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330491226 445003767 /nfs/dbraw/zinc/00/37/67/445003767.db2.gz NOJSWJXNTWXPRR-LLVKDONJSA-N 1 2 343.405 1.062 20 5 EDBDLO O=C(C1CCC1)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343024811 445013151 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REXOJQGAHXMQEW-LLVKDONJSA-N 1 2 345.359 1.473 20 5 EDBDLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000330821378 445153986 /nfs/dbraw/zinc/15/39/86/445153986.db2.gz FZWSQYAUMKNTBA-WFASDCNBSA-N 1 2 342.417 1.461 20 5 EDBDLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000330821378 445153989 /nfs/dbraw/zinc/15/39/89/445153989.db2.gz FZWSQYAUMKNTBA-WFASDCNBSA-N 1 2 342.417 1.461 20 5 EDBDLO CO[C@H]1C[C@@H](CO)N(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000343360758 445209771 /nfs/dbraw/zinc/20/97/71/445209771.db2.gz WQROWDAAKMPUAB-GJZGRUSLSA-N 1 2 344.371 1.946 20 5 EDBDLO CCOC(=O)c1ccnc(NC[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000348160251 445294653 /nfs/dbraw/zinc/29/46/53/445294653.db2.gz UWZKTZLKUYSCGT-NSHDSACASA-N 1 2 338.364 1.299 20 5 EDBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354678786 445337798 /nfs/dbraw/zinc/33/77/98/445337798.db2.gz VEMMTMKUWDBSAW-CYBMUJFWSA-N 1 2 334.376 1.184 20 5 EDBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354678786 445337799 /nfs/dbraw/zinc/33/77/99/445337799.db2.gz VEMMTMKUWDBSAW-CYBMUJFWSA-N 1 2 334.376 1.184 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1cnccn1 ZINC000359816673 445443309 /nfs/dbraw/zinc/44/33/09/445443309.db2.gz KSQOMCIPCIZRMJ-UHFFFAOYSA-N 1 2 343.387 1.872 20 5 EDBDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000359945365 445499555 /nfs/dbraw/zinc/49/95/55/445499555.db2.gz RSJMPXGNKKIVDL-VIFPVBQESA-N 1 2 333.797 1.621 20 5 EDBDLO CC[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000359945365 445499558 /nfs/dbraw/zinc/49/95/58/445499558.db2.gz RSJMPXGNKKIVDL-VIFPVBQESA-N 1 2 333.797 1.621 20 5 EDBDLO CN1C(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CCN2C1=O ZINC000363156868 445701006 /nfs/dbraw/zinc/70/10/06/445701006.db2.gz VDIWZHQVPOHOTQ-LBPRGKRZSA-N 1 2 338.751 1.326 20 5 EDBDLO CN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CCN2C1=O ZINC000363156868 445701009 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QQDZDCMCHXZSNM-ZFWWWQNUSA-N 1 2 348.359 1.863 20 5 EDBDLO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000359095160 445942019 /nfs/dbraw/zinc/94/20/19/445942019.db2.gz QQDZDCMCHXZSNM-ZFWWWQNUSA-N 1 2 348.359 1.863 20 5 EDBDLO C[C@@H]1C[C@@H]1C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000582881045 325947748 /nfs/dbraw/zinc/94/77/48/325947748.db2.gz LKIJSNHNENJJGF-CHWSQXEVSA-N 1 2 339.417 1.557 20 5 EDBDLO O=C(CC[N@@H+]1CCO[C@H]2CCOC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000366334862 446158859 /nfs/dbraw/zinc/15/88/59/446158859.db2.gz SRTPAWCNWDWAQF-GJZGRUSLSA-N 1 2 335.360 1.413 20 5 EDBDLO O=C(CC[N@H+]1CCO[C@H]2CCOC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000366334862 446158862 /nfs/dbraw/zinc/15/88/62/446158862.db2.gz SRTPAWCNWDWAQF-GJZGRUSLSA-N 1 2 335.360 1.413 20 5 EDBDLO Cc1cc(C2=CC[N@H+](Cc3nccc(N)n3)CC2)cc([N+](=O)[O-])c1N ZINC000366620143 446283369 /nfs/dbraw/zinc/28/33/69/446283369.db2.gz MLBRBLBVBSQMTG-UHFFFAOYSA-N 1 2 340.387 2.147 20 5 EDBDLO Cc1cc(C2=CC[N@@H+](Cc3nccc(N)n3)CC2)cc([N+](=O)[O-])c1N ZINC000366620143 446283376 /nfs/dbraw/zinc/28/33/76/446283376.db2.gz MLBRBLBVBSQMTG-UHFFFAOYSA-N 1 2 340.387 2.147 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000373758127 446327210 /nfs/dbraw/zinc/32/72/10/446327210.db2.gz COWCJNNFWQFVSN-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000373758127 446327212 /nfs/dbraw/zinc/32/72/12/446327212.db2.gz COWCJNNFWQFVSN-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO CN(C)c1noc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000374537486 446374223 /nfs/dbraw/zinc/37/42/23/446374223.db2.gz MUQUKYZLJPBSCN-KGLIPLIRSA-N 1 2 347.375 1.914 20 5 EDBDLO CN(C)c1noc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000374537486 446374227 /nfs/dbraw/zinc/37/42/27/446374227.db2.gz MUQUKYZLJPBSCN-KGLIPLIRSA-N 1 2 347.375 1.914 20 5 EDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)no1 ZINC000376445431 446501392 /nfs/dbraw/zinc/50/13/92/446501392.db2.gz BLCNEYQKTVXVSP-GFCCVEGCSA-N 1 2 332.364 1.579 20 5 EDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)no1 ZINC000376445431 446501395 /nfs/dbraw/zinc/50/13/95/446501395.db2.gz BLCNEYQKTVXVSP-GFCCVEGCSA-N 1 2 332.364 1.579 20 5 EDBDLO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412029068 446793069 /nfs/dbraw/zinc/79/30/69/446793069.db2.gz CLSFBRDKEACXPO-KOLCDFICSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412029068 446793076 /nfs/dbraw/zinc/79/30/76/446793076.db2.gz CLSFBRDKEACXPO-KOLCDFICSA-N 1 2 327.768 1.889 20 5 EDBDLO CNC(=O)NC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000412053015 446816872 /nfs/dbraw/zinc/81/68/72/446816872.db2.gz HENPDEOOZMKIOF-UHFFFAOYSA-N 1 2 340.355 1.636 20 5 EDBDLO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000371492867 446890035 /nfs/dbraw/zinc/89/00/35/446890035.db2.gz JYEFLYJHTAOWQJ-UWVGGRQHSA-N 1 2 331.419 1.371 20 5 EDBDLO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000371492867 446890037 /nfs/dbraw/zinc/89/00/37/446890037.db2.gz JYEFLYJHTAOWQJ-UWVGGRQHSA-N 1 2 331.419 1.371 20 5 EDBDLO Cc1cnn(C2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000368662481 447014659 /nfs/dbraw/zinc/01/46/59/447014659.db2.gz IKLHJKQTNLAUNY-OAHLLOKOSA-N 1 2 332.360 1.396 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(n2cccn2)C1 ZINC000377541146 447190961 /nfs/dbraw/zinc/19/09/61/447190961.db2.gz CQACTAMAHGPBEW-UHFFFAOYSA-N 1 2 338.327 1.674 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)[C@H](C)O1 ZINC000446068450 447226950 /nfs/dbraw/zinc/22/69/50/447226950.db2.gz CTVLKRAUDQSOIT-UPJWGTAASA-N 1 2 333.388 1.982 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)[C@H](C)O1 ZINC000446068450 447226955 /nfs/dbraw/zinc/22/69/55/447226955.db2.gz CTVLKRAUDQSOIT-UPJWGTAASA-N 1 2 333.388 1.982 20 5 EDBDLO C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000421936180 447285506 /nfs/dbraw/zinc/28/55/06/447285506.db2.gz LLSJYRZBJKQTKI-OLZOCXBDSA-N 1 2 344.371 1.871 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)[C@@H]3CCCO3)o2)cc1 ZINC000447914546 447296734 /nfs/dbraw/zinc/29/67/34/447296734.db2.gz PFOCKYADDFWXBW-OLZOCXBDSA-N 1 2 334.332 1.274 20 5 EDBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000372734235 447257353 /nfs/dbraw/zinc/25/73/53/447257353.db2.gz BKNYWTUIPNJYGW-ZDUSSCGKSA-N 1 2 341.433 1.971 20 5 EDBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000372734235 447257358 /nfs/dbraw/zinc/25/73/58/447257358.db2.gz BKNYWTUIPNJYGW-ZDUSSCGKSA-N 1 2 341.433 1.971 20 5 EDBDLO C[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000450460169 447496070 /nfs/dbraw/zinc/49/60/70/447496070.db2.gz MWLNPSTWTNTPNS-GFCCVEGCSA-N 1 2 342.417 1.871 20 5 EDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000457085447 447512950 /nfs/dbraw/zinc/51/29/50/447512950.db2.gz HIEPZYMDEQWYDE-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000457085447 447512956 /nfs/dbraw/zinc/51/29/56/447512956.db2.gz HIEPZYMDEQWYDE-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450376028 447472531 /nfs/dbraw/zinc/47/25/31/447472531.db2.gz IGJRGJCNHQRDAO-ZDUSSCGKSA-N 1 2 346.387 1.272 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450375283 447473255 /nfs/dbraw/zinc/47/32/55/447473255.db2.gz XXNGOKKVWVSSLV-UHFFFAOYSA-N 1 2 343.387 1.529 20 5 EDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000408084839 447627805 /nfs/dbraw/zinc/62/78/05/447627805.db2.gz UIIWHOFIOMTLRT-ZJUUUORDSA-N 1 2 347.824 1.961 20 5 EDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000408084839 447627810 /nfs/dbraw/zinc/62/78/10/447627810.db2.gz UIIWHOFIOMTLRT-ZJUUUORDSA-N 1 2 347.824 1.961 20 5 EDBDLO O=C1[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C1CCOCC1 ZINC000408446490 447661550 /nfs/dbraw/zinc/66/15/50/447661550.db2.gz LYLDFMXKRYEVAP-KRWDZBQOSA-N 1 2 345.399 1.733 20 5 EDBDLO O=C1[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C1CCOCC1 ZINC000408446490 447661558 /nfs/dbraw/zinc/66/15/58/447661558.db2.gz LYLDFMXKRYEVAP-KRWDZBQOSA-N 1 2 345.399 1.733 20 5 EDBDLO COc1cc(OCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000428341069 447690601 /nfs/dbraw/zinc/69/06/01/447690601.db2.gz MSTSPHIVKMLFTQ-LLVKDONJSA-N 1 2 346.343 1.310 20 5 EDBDLO O=C(C[N@H+]1CCC[C@@](O)(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459643514 447729650 /nfs/dbraw/zinc/72/96/50/447729650.db2.gz IKIZEZIFYUZIGY-AWEZNQCLSA-N 1 2 343.767 1.006 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@@](O)(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459643514 447729654 /nfs/dbraw/zinc/72/96/54/447729654.db2.gz IKIZEZIFYUZIGY-AWEZNQCLSA-N 1 2 343.767 1.006 20 5 EDBDLO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000577176061 448225929 /nfs/dbraw/zinc/22/59/29/448225929.db2.gz MAIMOBYZXDWDDT-WNMQOVRZSA-N 1 2 335.360 1.771 20 5 EDBDLO O=[N+]([O-])c1ccsc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000591175406 448279478 /nfs/dbraw/zinc/27/94/78/448279478.db2.gz FADAQUIZPNAALG-UHFFFAOYSA-N 1 2 327.406 1.950 20 5 EDBDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592187085 448728196 /nfs/dbraw/zinc/72/81/96/448728196.db2.gz ZVZCAWIEJJFGKE-ZDUSSCGKSA-N 1 2 347.293 1.801 20 5 EDBDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592187085 448728199 /nfs/dbraw/zinc/72/81/99/448728199.db2.gz ZVZCAWIEJJFGKE-ZDUSSCGKSA-N 1 2 347.293 1.801 20 5 EDBDLO Cc1nc(N)c(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000580449852 448948391 /nfs/dbraw/zinc/94/83/91/448948391.db2.gz CRDFIKBVWRQLCB-QMMMGPOBSA-N 1 2 333.323 1.834 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCc2cn3c(cccc3C)[nH+]2)n1 ZINC000592745811 448966820 /nfs/dbraw/zinc/96/68/20/448966820.db2.gz MEQVIXKYTZTQHJ-UHFFFAOYSA-N 1 2 342.359 1.740 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000589513991 449028925 /nfs/dbraw/zinc/02/89/25/449028925.db2.gz WNLXRRRNFVAIFC-CORIIIEPSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000589513991 449028928 /nfs/dbraw/zinc/02/89/28/449028928.db2.gz WNLXRRRNFVAIFC-CORIIIEPSA-N 1 2 347.371 1.467 20 5 EDBDLO CCOC(=O)c1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000590379736 449139956 /nfs/dbraw/zinc/13/99/56/449139956.db2.gz YRSBLIJSXBAZRK-UHFFFAOYSA-N 1 2 344.327 1.693 20 5 EDBDLO CCOC(=O)c1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000590379736 449139958 /nfs/dbraw/zinc/13/99/58/449139958.db2.gz YRSBLIJSXBAZRK-UHFFFAOYSA-N 1 2 344.327 1.693 20 5 EDBDLO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000590401649 449148535 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/nfs/dbraw/zinc/26/50/67/593265067.db2.gz RTOQVPLNPGACQA-CQSZACIVSA-N 1 2 343.767 1.006 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@](O)(CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839149396 593265068 /nfs/dbraw/zinc/26/50/68/593265068.db2.gz RTOQVPLNPGACQA-CQSZACIVSA-N 1 2 343.767 1.006 20 5 EDBDLO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840189445 593372483 /nfs/dbraw/zinc/37/24/83/593372483.db2.gz QQPMNDMIPYSWIS-NSHDSACASA-N 1 2 348.359 1.449 20 5 EDBDLO CC(C)[N@@H+](C[C@@H]1CCC(=O)N1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840189445 593372486 /nfs/dbraw/zinc/37/24/86/593372486.db2.gz QQPMNDMIPYSWIS-NSHDSACASA-N 1 2 348.359 1.449 20 5 EDBDLO CC(=O)c1cc(N2CC[NH+](CC[S@](C)=O)CC2)ccc1[N+](=O)[O-] ZINC000804498845 593419581 /nfs/dbraw/zinc/41/95/81/593419581.db2.gz TVZKLDRBPXFLQC-QHCPKHFHSA-N 1 2 339.417 1.298 20 5 EDBDLO CC(C)(CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000819984003 593781128 /nfs/dbraw/zinc/78/11/28/593781128.db2.gz MCNOFJRLHQUDMG-UHFFFAOYSA-N 1 2 347.379 1.298 20 5 EDBDLO Nc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000823921122 593887954 /nfs/dbraw/zinc/88/79/54/593887954.db2.gz OEFIGTZRIXWXMD-GFCCVEGCSA-N 1 2 335.364 1.115 20 5 EDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000823620249 594221904 /nfs/dbraw/zinc/22/19/04/594221904.db2.gz IYCQEPNAGZBCKP-VIFPVBQESA-N 1 2 341.335 1.277 20 5 EDBDLO Cc1cc[nH+]c(NCCOc2ccc([N+](=O)[O-])cc2)c1-c1nn[nH]n1 ZINC000826314393 594420517 /nfs/dbraw/zinc/42/05/17/594420517.db2.gz UOSGOZXLNJAZAN-UHFFFAOYSA-N 1 2 341.331 1.969 20 5 EDBDLO Cc1c(C(=O)N[C@H]2CCn3cc[nH+]c32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000833305534 594823866 /nfs/dbraw/zinc/82/38/66/594823866.db2.gz RETJQLUNODMHBZ-NSHDSACASA-N 1 2 331.288 1.883 20 5 EDBDLO O=C(OC[C@@]1(O)CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000842383285 595091578 /nfs/dbraw/zinc/09/15/78/595091578.db2.gz LHIWPTTWQAAUPB-OAHLLOKOSA-N 1 2 333.300 1.089 20 5 EDBDLO CCOCC[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843794546 595188341 /nfs/dbraw/zinc/18/83/41/595188341.db2.gz SJOAMBRHSQZUPK-UHFFFAOYSA-N 1 2 339.367 1.837 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1F ZINC000867312196 595240475 /nfs/dbraw/zinc/24/04/75/595240475.db2.gz YZMHSZYXFIRNEI-PHIMTYICSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1F ZINC000867312196 595240476 /nfs/dbraw/zinc/24/04/76/595240476.db2.gz YZMHSZYXFIRNEI-PHIMTYICSA-N 1 2 345.396 1.755 20 5 EDBDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000842961332 595243264 /nfs/dbraw/zinc/24/32/64/595243264.db2.gz GXHSYXIPOZEIAI-WFASDCNBSA-N 1 2 338.360 1.487 20 5 EDBDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000842961332 595243267 /nfs/dbraw/zinc/24/32/67/595243267.db2.gz GXHSYXIPOZEIAI-WFASDCNBSA-N 1 2 338.360 1.487 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000848669145 595425800 /nfs/dbraw/zinc/42/58/00/595425800.db2.gz WQPUMJBYRCYEDT-QFIPXVFZSA-N 1 2 327.406 1.104 20 5 EDBDLO CC(C)Oc1cc[nH+]c(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c1 ZINC000845309578 595477568 /nfs/dbraw/zinc/47/75/68/595477568.db2.gz QCDNGVUYUIUQGL-UHFFFAOYSA-N 1 2 334.288 1.895 20 5 EDBDLO COC[C@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000849794943 595658441 /nfs/dbraw/zinc/65/84/41/595658441.db2.gz WMTBVXJVXHTMDM-GFCCVEGCSA-N 1 2 335.316 1.599 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)CO1 ZINC000855405925 595696494 /nfs/dbraw/zinc/69/64/94/595696494.db2.gz AVCZOFMOUKKXFT-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)CO1 ZINC000855405925 595696496 /nfs/dbraw/zinc/69/64/96/595696496.db2.gz AVCZOFMOUKKXFT-WDEREUQCSA-N 1 2 325.340 1.573 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855405949 595696677 /nfs/dbraw/zinc/69/66/77/595696677.db2.gz BCRROROPQKEXMS-WDEREUQCSA-N 1 2 339.367 1.881 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855405949 595696679 /nfs/dbraw/zinc/69/66/79/595696679.db2.gz BCRROROPQKEXMS-WDEREUQCSA-N 1 2 339.367 1.881 20 5 EDBDLO O=C(C[N@@H+]1CCC2(COC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852682973 596226876 /nfs/dbraw/zinc/22/68/76/596226876.db2.gz DHOYINMROKSYBJ-UHFFFAOYSA-N 1 2 325.752 1.909 20 5 EDBDLO O=C(C[N@H+]1CCC2(COC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852682973 596226880 /nfs/dbraw/zinc/22/68/80/596226880.db2.gz DHOYINMROKSYBJ-UHFFFAOYSA-N 1 2 325.752 1.909 20 5 EDBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000862107394 596239851 /nfs/dbraw/zinc/23/98/51/596239851.db2.gz AJLIUBRPMDUAEL-UHFFFAOYSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(/C=C\C[NH+]1CCOCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000864579614 596271015 /nfs/dbraw/zinc/27/10/15/596271015.db2.gz DOEWGWBUGVPEAX-UPHRSURJSA-N 1 2 334.376 1.011 20 5 EDBDLO C[N@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)CC1(C)COC1 ZINC000863298855 596543207 /nfs/dbraw/zinc/54/32/07/596543207.db2.gz PPZRWKBDWSHKNR-UHFFFAOYSA-N 1 2 344.371 1.744 20 5 EDBDLO C[N@@H+](Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)CC1(C)COC1 ZINC000863298855 596543209 /nfs/dbraw/zinc/54/32/09/596543209.db2.gz PPZRWKBDWSHKNR-UHFFFAOYSA-N 1 2 344.371 1.744 20 5 EDBDLO COC(=O)[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000863300441 596543930 /nfs/dbraw/zinc/54/39/30/596543930.db2.gz CGQAUIZRSJANJI-OAHLLOKOSA-N 1 2 332.316 1.065 20 5 EDBDLO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045629 596799087 /nfs/dbraw/zinc/79/90/87/596799087.db2.gz QCKNBVJGIILWLR-GWCFXTLKSA-N 1 2 347.350 1.924 20 5 EDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1cn2c([nH+]1)CCCC2 ZINC000738357115 598395430 /nfs/dbraw/zinc/39/54/30/598395430.db2.gz BUMSJSIKOSLJFK-UHFFFAOYSA-N 1 2 340.347 1.920 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001002214676 708717686 /nfs/dbraw/zinc/71/76/86/708717686.db2.gz FABNDOOPKIMQEE-UHFFFAOYSA-N 1 2 344.375 1.118 20 5 EDBDLO Cc1cnoc1C(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001003890454 710830177 /nfs/dbraw/zinc/83/01/77/710830177.db2.gz SBGYWPGIWWIMLK-UHFFFAOYSA-N 1 2 348.363 1.019 20 5 EDBDLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000552 215002939 /nfs/dbraw/zinc/00/29/39/215002939.db2.gz INWUZYVHUDXPAO-JTQLQIEISA-N 1 2 333.435 1.809 20 5 EDBDLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000552 215002941 /nfs/dbraw/zinc/00/29/41/215002941.db2.gz INWUZYVHUDXPAO-JTQLQIEISA-N 1 2 333.435 1.809 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130553116 138342145 /nfs/dbraw/zinc/34/21/45/138342145.db2.gz DWMSMPHSEYMLNA-ZDUSSCGKSA-N 1 2 344.375 1.280 20 5 EDBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000186833894 236036159 /nfs/dbraw/zinc/03/61/59/236036159.db2.gz 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139082983 /nfs/dbraw/zinc/08/29/83/139082983.db2.gz PDKQQWDXKDWPQE-UKRRQHHQSA-N 1 2 347.375 1.300 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175660250 207146516 /nfs/dbraw/zinc/14/65/16/207146516.db2.gz COYJABMLTXOPEQ-UHFFFAOYSA-N 1 2 335.341 1.886 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493963031 255228758 /nfs/dbraw/zinc/22/87/58/255228758.db2.gz IHYWXMBXLURVJL-YPMHNXCESA-N 1 2 348.359 1.272 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493963031 255228759 /nfs/dbraw/zinc/22/87/59/255228759.db2.gz IHYWXMBXLURVJL-YPMHNXCESA-N 1 2 348.359 1.272 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000493975768 255229402 /nfs/dbraw/zinc/22/94/02/255229402.db2.gz VWFNQMWKNPCECK-UHFFFAOYSA-N 1 2 339.396 1.817 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000494820687 255262251 /nfs/dbraw/zinc/26/22/51/255262251.db2.gz DTDUNWAUPPHPDE-VHSXEESVSA-N 1 2 348.363 1.410 20 5 EDBDLO CC(C)(C)OC(=O)N1CC[NH+](CCn2cnc([N+](=O)[O-])c2)CC1 ZINC000496281380 255374525 /nfs/dbraw/zinc/37/45/25/255374525.db2.gz GKEVBDPVXDRQEH-UHFFFAOYSA-N 1 2 325.369 1.344 20 5 EDBDLO Cc1c(C(=O)NCc2[nH+]ccn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000264325796 139397334 /nfs/dbraw/zinc/39/73/34/139397334.db2.gz RLMWPCSUSKZQJA-UHFFFAOYSA-N 1 2 333.304 1.783 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264300284 139395224 /nfs/dbraw/zinc/39/52/24/139395224.db2.gz LWCGPPZHYMXDGO-UHFFFAOYSA-N 1 2 343.387 1.861 20 5 EDBDLO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173789139 533601391 /nfs/dbraw/zinc/60/13/91/533601391.db2.gz CRULWTZPBFEHOB-XJKSGUPXSA-N 1 2 348.403 1.772 20 5 EDBDLO O=[N+]([O-])c1ccccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000272523917 140472792 /nfs/dbraw/zinc/47/27/92/140472792.db2.gz NYOGFMHMNGHAQO-UHFFFAOYSA-N 1 2 330.362 1.026 20 5 EDBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331987341 141106869 /nfs/dbraw/zinc/10/68/69/141106869.db2.gz LWHAMWNDDINEJB-HEWAKGLMSA-N 1 2 342.417 1.177 20 5 EDBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331987341 141106870 /nfs/dbraw/zinc/10/68/70/141106870.db2.gz LWHAMWNDDINEJB-HEWAKGLMSA-N 1 2 342.417 1.177 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000346447353 143205694 /nfs/dbraw/zinc/20/56/94/143205694.db2.gz FZRDIMKBHPOTFD-LBPRGKRZSA-N 1 2 335.360 1.289 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000346447353 143205695 /nfs/dbraw/zinc/20/56/95/143205695.db2.gz FZRDIMKBHPOTFD-LBPRGKRZSA-N 1 2 335.360 1.289 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346662399 143228295 /nfs/dbraw/zinc/22/82/95/143228295.db2.gz WUNXUAVMZMIUMB-BVIHXZOGSA-N 1 2 346.387 1.508 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346662399 143228296 /nfs/dbraw/zinc/22/82/96/143228296.db2.gz WUNXUAVMZMIUMB-BVIHXZOGSA-N 1 2 346.387 1.508 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000347601369 143339609 /nfs/dbraw/zinc/33/96/09/143339609.db2.gz WOWOZQZMOLIJOV-HNNXBMFYSA-N 1 2 335.404 1.998 20 5 EDBDLO CCc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000347601369 143339610 /nfs/dbraw/zinc/33/96/10/143339610.db2.gz WOWOZQZMOLIJOV-HNNXBMFYSA-N 1 2 335.404 1.998 20 5 EDBDLO COc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000268220516 286229482 /nfs/dbraw/zinc/22/94/82/286229482.db2.gz SJKAWWVECCCWIG-UHFFFAOYSA-N 1 2 340.355 1.128 20 5 EDBDLO NC(=O)c1ccnc(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000357527133 151057100 /nfs/dbraw/zinc/05/71/00/151057100.db2.gz FXTZPFVMCNNFJK-UHFFFAOYSA-N 1 2 338.327 1.887 20 5 EDBDLO CNc1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000361206141 152334546 /nfs/dbraw/zinc/33/45/46/152334546.db2.gz XTDIHTUBVILIFV-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO CNc1c(C(=O)NCC[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000361206141 152334549 /nfs/dbraw/zinc/33/45/49/152334549.db2.gz XTDIHTUBVILIFV-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO Cc1cn2c([nH+]1)CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000363693685 153031450 /nfs/dbraw/zinc/03/14/50/153031450.db2.gz ATIGYBVQIMFMJI-HNNXBMFYSA-N 1 2 341.371 1.721 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367238313 154050574 /nfs/dbraw/zinc/05/05/74/154050574.db2.gz PEHRXBTUBTXVJI-INIZCTEOSA-N 1 2 326.356 1.705 20 5 EDBDLO CNC(=O)CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000367422983 154115551 /nfs/dbraw/zinc/11/55/51/154115551.db2.gz OPKNFYAUWIHCKH-QPJJXVBHSA-N 1 2 332.404 1.362 20 5 EDBDLO CNC(=O)CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000367422983 154115556 /nfs/dbraw/zinc/11/55/56/154115556.db2.gz OPKNFYAUWIHCKH-QPJJXVBHSA-N 1 2 332.404 1.362 20 5 EDBDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000185141968 286456932 /nfs/dbraw/zinc/45/69/32/286456932.db2.gz JXSKJAJXZDZLOM-LBPRGKRZSA-N 1 2 348.403 1.393 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374385339 157269160 /nfs/dbraw/zinc/26/91/60/157269160.db2.gz KBZSFFUARDJZMC-CQSZACIVSA-N 1 2 344.375 1.058 20 5 EDBDLO CN(C)c1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000374537487 157320605 /nfs/dbraw/zinc/32/06/05/157320605.db2.gz MUQUKYZLJPBSCN-UONOGXRCSA-N 1 2 347.375 1.914 20 5 EDBDLO CN(C)c1noc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000374537487 157320609 /nfs/dbraw/zinc/32/06/09/157320609.db2.gz MUQUKYZLJPBSCN-UONOGXRCSA-N 1 2 347.375 1.914 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOC2=O)CC1 ZINC000378010586 158056256 /nfs/dbraw/zinc/05/62/56/158056256.db2.gz YSMQTZUTFFRAHF-GFCCVEGCSA-N 1 2 347.371 1.951 20 5 EDBDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459499640 286768005 /nfs/dbraw/zinc/76/80/05/286768005.db2.gz WVWSZXJNOLRQPT-LBPRGKRZSA-N 1 2 335.408 1.415 20 5 EDBDLO CCOC(=O)c1cc(C(=O)N2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000357563099 162286039 /nfs/dbraw/zinc/28/60/39/162286039.db2.gz BUCGPJMDVCTQDM-UHFFFAOYSA-N 1 2 344.327 1.624 20 5 EDBDLO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCOCC1 ZINC000119308225 287351593 /nfs/dbraw/zinc/35/15/93/287351593.db2.gz RQVOZDUGTKHCBU-LBPRGKRZSA-N 1 2 343.811 1.373 20 5 EDBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000119308225 287351596 /nfs/dbraw/zinc/35/15/96/287351596.db2.gz RQVOZDUGTKHCBU-LBPRGKRZSA-N 1 2 343.811 1.373 20 5 EDBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000119308225 287351599 /nfs/dbraw/zinc/35/15/99/287351599.db2.gz RQVOZDUGTKHCBU-LBPRGKRZSA-N 1 2 343.811 1.373 20 5 EDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151746673 287600565 /nfs/dbraw/zinc/60/05/65/287600565.db2.gz QBDLPAQMSLPUNH-AWEZNQCLSA-N 1 2 346.347 1.049 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030216652 267382329 /nfs/dbraw/zinc/38/23/29/267382329.db2.gz IDJCGNLMIFHURE-UHFFFAOYSA-N 1 2 340.343 1.353 20 5 EDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348191 268032173 /nfs/dbraw/zinc/03/21/73/268032173.db2.gz OUBJHXUSAUNTOQ-CMUWAASVSA-N 1 2 342.417 1.176 20 5 EDBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348191 268032175 /nfs/dbraw/zinc/03/21/75/268032175.db2.gz OUBJHXUSAUNTOQ-CMUWAASVSA-N 1 2 342.417 1.176 20 5 EDBDLO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275071744 268275271 /nfs/dbraw/zinc/27/52/71/268275271.db2.gz AJLQGNUCMOTEOI-LRDDRELGSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275071744 268275273 /nfs/dbraw/zinc/27/52/73/268275273.db2.gz AJLQGNUCMOTEOI-LRDDRELGSA-N 1 2 338.360 1.362 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000275802930 268374156 /nfs/dbraw/zinc/37/41/56/268374156.db2.gz SXNOOOHJBVDWQS-CQSZACIVSA-N 1 2 344.375 1.849 20 5 EDBDLO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274280607 273081040 /nfs/dbraw/zinc/08/10/40/273081040.db2.gz JUEPJNAVLMJRFT-ZFWWWQNUSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274280607 273081041 /nfs/dbraw/zinc/08/10/41/273081041.db2.gz JUEPJNAVLMJRFT-ZFWWWQNUSA-N 1 2 338.360 1.362 20 5 EDBDLO CC(C)n1cc([C@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000284920946 274387393 /nfs/dbraw/zinc/38/73/93/274387393.db2.gz CNGDNYJRUMIGLG-INIZCTEOSA-N 1 2 349.366 2.000 20 5 EDBDLO CC(C)n1cc([C@]2(O)CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000284920946 274387396 /nfs/dbraw/zinc/38/73/96/274387396.db2.gz CNGDNYJRUMIGLG-INIZCTEOSA-N 1 2 349.366 2.000 20 5 EDBDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285461997 274551216 /nfs/dbraw/zinc/55/12/16/274551216.db2.gz UGGGZAYWRNTVTR-CQSZACIVSA-N 1 2 332.364 1.649 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285564463 274581034 /nfs/dbraw/zinc/58/10/34/274581034.db2.gz HHQMYJAMEMQHCG-IUODEOHRSA-N 1 2 334.376 1.922 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285580438 274586048 /nfs/dbraw/zinc/58/60/48/274586048.db2.gz AUZUIYFQSSFJQY-UKRRQHHQSA-N 1 2 349.387 1.295 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]21 ZINC000352273526 277130745 /nfs/dbraw/zinc/13/07/45/277130745.db2.gz JFIFEIOXKSRWIZ-KBPBESRZSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]21 ZINC000352273526 277130746 /nfs/dbraw/zinc/13/07/46/277130746.db2.gz JFIFEIOXKSRWIZ-KBPBESRZSA-N 1 2 330.344 1.231 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000287218162 288183857 /nfs/dbraw/zinc/18/38/57/288183857.db2.gz IPDJBXICXMNTFW-VXGBXAGGSA-N 1 2 334.376 1.112 20 5 EDBDLO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262954698 280124747 /nfs/dbraw/zinc/12/47/47/280124747.db2.gz KBRPTSZJVMDZCY-LLVKDONJSA-N 1 2 340.330 1.241 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000292167674 289279939 /nfs/dbraw/zinc/27/99/39/289279939.db2.gz FQAJGXXTUYZHRK-SNVBAGLBSA-N 1 2 343.330 1.666 20 5 EDBDLO CCOc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000292292017 289308528 /nfs/dbraw/zinc/30/85/28/289308528.db2.gz RLXKWYAAWSOIHV-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO CCOc1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000292292017 289308531 /nfs/dbraw/zinc/30/85/31/289308531.db2.gz RLXKWYAAWSOIHV-CYBMUJFWSA-N 1 2 342.417 1.860 20 5 EDBDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292299595 289310148 /nfs/dbraw/zinc/31/01/48/289310148.db2.gz DAHCUEUQBDHZMS-ZDUSSCGKSA-N 1 2 349.391 1.639 20 5 EDBDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292299595 289310150 /nfs/dbraw/zinc/31/01/50/289310150.db2.gz DAHCUEUQBDHZMS-ZDUSSCGKSA-N 1 2 349.391 1.639 20 5 EDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292592866 289390607 /nfs/dbraw/zinc/39/06/07/289390607.db2.gz HGOLKNLADMAVED-IAQYHMDHSA-N 1 2 334.376 1.112 20 5 EDBDLO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000347893861 293940341 /nfs/dbraw/zinc/94/03/41/293940341.db2.gz CGRZQMDMSNDJJF-ZIAGYGMSSA-N 1 2 349.387 1.626 20 5 EDBDLO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2C1 ZINC000262455876 295324168 /nfs/dbraw/zinc/32/41/68/295324168.db2.gz WMAPIVSQRJXXBU-LLVKDONJSA-N 1 2 328.328 1.764 20 5 EDBDLO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000414430497 447306675 /nfs/dbraw/zinc/30/66/75/447306675.db2.gz JUXHTSHHDXNLBA-UHFFFAOYSA-N 1 2 338.389 1.200 20 5 EDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2=CCCOC2)CC1 ZINC000294203067 303076710 /nfs/dbraw/zinc/07/67/10/303076710.db2.gz XYKZWLFZWCWMSC-UHFFFAOYSA-N 1 2 331.372 1.699 20 5 EDBDLO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000294518590 303118879 /nfs/dbraw/zinc/11/88/79/303118879.db2.gz OSNQMMMRHAJAGF-JTQLQIEISA-N 1 2 341.339 1.193 20 5 EDBDLO Cc1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000294915954 303154932 /nfs/dbraw/zinc/15/49/32/303154932.db2.gz BEPGYQOVJXUKEA-UHFFFAOYSA-N 1 2 341.414 1.923 20 5 EDBDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298213446 303506429 /nfs/dbraw/zinc/50/64/29/303506429.db2.gz ZIFHDMCIVDLDIU-ZDUSSCGKSA-N 1 2 335.408 1.417 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000428080715 305006940 /nfs/dbraw/zinc/00/69/40/305006940.db2.gz UBUUFVUUNMLNJI-AWEZNQCLSA-N 1 2 339.367 1.503 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000428080715 305006941 /nfs/dbraw/zinc/00/69/41/305006941.db2.gz UBUUFVUUNMLNJI-AWEZNQCLSA-N 1 2 339.367 1.503 20 5 EDBDLO CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433100146 305100249 /nfs/dbraw/zinc/10/02/49/305100249.db2.gz ALASFNNFAVAETA-CQSZACIVSA-N 1 2 347.350 1.976 20 5 EDBDLO CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433123093 305101150 /nfs/dbraw/zinc/10/11/50/305101150.db2.gz SZARRJWBPHJERI-LLVKDONJSA-N 1 2 335.389 1.898 20 5 EDBDLO CC(C)(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)n1cc([N+](=O)[O-])cn1 ZINC000437307387 305174835 /nfs/dbraw/zinc/17/48/35/305174835.db2.gz NQTMEPFYLBJVEM-NSHDSACASA-N 1 2 332.364 1.417 20 5 EDBDLO COC[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000447808114 305285988 /nfs/dbraw/zinc/28/59/88/305285988.db2.gz VPZOIINKYOYVCQ-AWEZNQCLSA-N 1 2 339.392 1.500 20 5 EDBDLO C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450142697 305326009 /nfs/dbraw/zinc/32/60/09/305326009.db2.gz LVDLAXQDKRCEHM-AAEUAGOBSA-N 1 2 346.343 1.002 20 5 EDBDLO CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451558771 305353539 /nfs/dbraw/zinc/35/35/39/305353539.db2.gz GPTCFPHEAGLSRN-IUODEOHRSA-N 1 2 342.417 1.725 20 5 EDBDLO CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451558771 305353540 /nfs/dbraw/zinc/35/35/40/305353540.db2.gz GPTCFPHEAGLSRN-IUODEOHRSA-N 1 2 342.417 1.725 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000519127325 305766807 /nfs/dbraw/zinc/76/68/07/305766807.db2.gz OKWPEFJBZWPNNJ-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000527464523 305847448 /nfs/dbraw/zinc/84/74/48/305847448.db2.gz KNDQXXVEIQKZCQ-UHFFFAOYSA-N 1 2 349.322 1.466 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000493685015 447366233 /nfs/dbraw/zinc/36/62/33/447366233.db2.gz DPJAEPKIUXOECN-SBSDFTTDSA-N 1 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CN(C(=O)C[N@H+](CC(N)=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000052826521 441477603 /nfs/dbraw/zinc/47/76/03/441477603.db2.gz UTNJGWNMDNGFNB-UHFFFAOYSA-N 1 2 334.376 1.288 20 5 EDBDLO CN(C(=O)C[N@@H+](CC(N)=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000052826521 441477606 /nfs/dbraw/zinc/47/76/06/441477606.db2.gz UTNJGWNMDNGFNB-UHFFFAOYSA-N 1 2 334.376 1.288 20 5 EDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000065857542 441490280 /nfs/dbraw/zinc/49/02/80/441490280.db2.gz PRDCFWIRFGMPKZ-UHFFFAOYSA-N 1 2 341.371 1.751 20 5 EDBDLO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000109628299 441502612 /nfs/dbraw/zinc/50/26/12/441502612.db2.gz OTQKCGKFWHUAGO-QWRGUYRKSA-N 1 2 339.396 1.109 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000066833322 441572627 /nfs/dbraw/zinc/57/26/27/441572627.db2.gz ZASDNWJJEYMEFW-CYBMUJFWSA-N 1 2 347.371 1.369 20 5 EDBDLO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000066833322 441572628 /nfs/dbraw/zinc/57/26/28/441572628.db2.gz ZASDNWJJEYMEFW-CYBMUJFWSA-N 1 2 347.371 1.369 20 5 EDBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000158321822 441723803 /nfs/dbraw/zinc/72/38/03/441723803.db2.gz GJGGDMNANLTSSJ-JTQLQIEISA-N 1 2 335.389 1.898 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000043311539 441832850 /nfs/dbraw/zinc/83/28/50/441832850.db2.gz RKVVFMKHEZOGGU-UHFFFAOYSA-N 1 2 344.375 1.323 20 5 EDBDLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000127373352 442196924 /nfs/dbraw/zinc/19/69/24/442196924.db2.gz UWZXFCCDRNRPAE-CYBMUJFWSA-N 1 2 335.360 1.196 20 5 EDBDLO COc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000127373352 442196929 /nfs/dbraw/zinc/19/69/29/442196929.db2.gz UWZXFCCDRNRPAE-CYBMUJFWSA-N 1 2 335.360 1.196 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127560994 442212409 /nfs/dbraw/zinc/21/24/09/442212409.db2.gz ZMWKJBOOLWLBHJ-AWEZNQCLSA-N 1 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O=C1[C@@H]([N@@H+]2CCOC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154108594 442322155 /nfs/dbraw/zinc/32/21/55/442322155.db2.gz IAQLKRSHJJWUPT-HNNXBMFYSA-N 1 2 331.372 1.955 20 5 EDBDLO O=C1[C@@H]([N@H+]2CCOC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154108594 442322156 /nfs/dbraw/zinc/32/21/56/442322156.db2.gz IAQLKRSHJJWUPT-HNNXBMFYSA-N 1 2 331.372 1.955 20 5 EDBDLO CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155029196 442371884 /nfs/dbraw/zinc/37/18/84/442371884.db2.gz DXXBXRZJTKUMMF-NHYWBVRUSA-N 1 2 332.360 1.917 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155496676 442403044 /nfs/dbraw/zinc/40/30/44/442403044.db2.gz RYMBKQMLVVUXSO-CYBMUJFWSA-N 1 2 344.375 1.362 20 5 EDBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155788201 442427355 /nfs/dbraw/zinc/42/73/55/442427355.db2.gz JTVMYOQSUHKBMX-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155788201 442427358 /nfs/dbraw/zinc/42/73/58/442427358.db2.gz JTVMYOQSUHKBMX-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000134546651 442493116 /nfs/dbraw/zinc/49/31/16/442493116.db2.gz NWIWSQLOEAUGPE-UHFFFAOYSA-N 1 2 338.389 1.643 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)Cc3ccccc32)n1 ZINC000191600175 442473646 /nfs/dbraw/zinc/47/36/46/442473646.db2.gz XSFCSBJPSFWHSL-UHFFFAOYSA-N 1 2 329.360 1.903 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)n1 ZINC000191600175 442473652 /nfs/dbraw/zinc/47/36/52/442473652.db2.gz XSFCSBJPSFWHSL-UHFFFAOYSA-N 1 2 329.360 1.903 20 5 EDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000180385151 442591037 /nfs/dbraw/zinc/59/10/37/442591037.db2.gz GRCVNLXJTPBGKG-LBPRGKRZSA-N 1 2 335.360 1.304 20 5 EDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000180385151 442591039 /nfs/dbraw/zinc/59/10/39/442591039.db2.gz GRCVNLXJTPBGKG-LBPRGKRZSA-N 1 2 335.360 1.304 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000135970371 442643284 /nfs/dbraw/zinc/64/32/84/442643284.db2.gz CTKAXBZDIPIJOI-UHFFFAOYSA-N 1 2 345.783 1.109 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000135970371 442643288 /nfs/dbraw/zinc/64/32/88/442643288.db2.gz CTKAXBZDIPIJOI-UHFFFAOYSA-N 1 2 345.783 1.109 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186794096 442614082 /nfs/dbraw/zinc/61/40/82/442614082.db2.gz AZEMSJRTURPXOS-SUNKGSAMSA-N 1 2 337.376 1.633 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186794096 442614085 /nfs/dbraw/zinc/61/40/85/442614085.db2.gz AZEMSJRTURPXOS-SUNKGSAMSA-N 1 2 337.376 1.633 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000188260398 442730547 /nfs/dbraw/zinc/73/05/47/442730547.db2.gz RMKAREUVFDMZCK-QGZVFWFLSA-N 1 2 347.415 1.754 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000188260398 442730549 /nfs/dbraw/zinc/73/05/49/442730549.db2.gz RMKAREUVFDMZCK-QGZVFWFLSA-N 1 2 347.415 1.754 20 5 EDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188659674 442782637 /nfs/dbraw/zinc/78/26/37/442782637.db2.gz UWSGVXZSBNTMHN-INIZCTEOSA-N 1 2 333.388 1.854 20 5 EDBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188659674 442782640 /nfs/dbraw/zinc/78/26/40/442782640.db2.gz UWSGVXZSBNTMHN-INIZCTEOSA-N 1 2 333.388 1.854 20 5 EDBDLO NC(=O)c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000268079991 442839574 /nfs/dbraw/zinc/83/95/74/442839574.db2.gz GEBARYRXLZMCCC-KRWDZBQOSA-N 1 2 341.367 1.785 20 5 EDBDLO NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000268079991 442839569 /nfs/dbraw/zinc/83/95/69/442839569.db2.gz GEBARYRXLZMCCC-KRWDZBQOSA-N 1 2 341.367 1.785 20 5 EDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268186556 442889430 /nfs/dbraw/zinc/88/94/30/442889430.db2.gz MFPVNLHOHRJTOF-LKFCYVNXSA-N 1 2 329.360 1.684 20 5 EDBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268186556 442889434 /nfs/dbraw/zinc/88/94/34/442889434.db2.gz MFPVNLHOHRJTOF-LKFCYVNXSA-N 1 2 329.360 1.684 20 5 EDBDLO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189491000 442966586 /nfs/dbraw/zinc/96/65/86/442966586.db2.gz VIXAJUGGJDBHAQ-NSHDSACASA-N 1 2 335.282 1.439 20 5 EDBDLO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189491000 442966591 /nfs/dbraw/zinc/96/65/91/442966591.db2.gz VIXAJUGGJDBHAQ-NSHDSACASA-N 1 2 335.282 1.439 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194906964 442966606 /nfs/dbraw/zinc/96/66/06/442966606.db2.gz DLNSWASGOSZDSZ-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194906964 442966612 /nfs/dbraw/zinc/96/66/12/442966612.db2.gz DLNSWASGOSZDSZ-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO O=C(NC[C@H]1CCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000266242518 443071813 /nfs/dbraw/zinc/07/18/13/443071813.db2.gz MQDRHBOZILJPRA-DOMZBBRYSA-N 1 2 330.344 1.671 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000184819142 443081385 /nfs/dbraw/zinc/08/13/85/443081385.db2.gz RKXLJSPRUSLKQP-GFCCVEGCSA-N 1 2 335.360 1.095 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000266272207 443081968 /nfs/dbraw/zinc/08/19/68/443081968.db2.gz ZPEJHUUMBROXRJ-XJKSGUPXSA-N 1 2 333.388 1.696 20 5 EDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000185531137 443214168 /nfs/dbraw/zinc/21/41/68/443214168.db2.gz QTBIVEISIMKUIU-WBVHZDCISA-N 1 2 346.431 1.280 20 5 EDBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCOCC3)c2)c(F)c1 ZINC000413047795 319260069 /nfs/dbraw/zinc/26/00/69/319260069.db2.gz RQBKZOYVLAKCOH-UHFFFAOYSA-N 1 2 333.323 1.973 20 5 EDBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188124 443255672 /nfs/dbraw/zinc/25/56/72/443255672.db2.gz BGOGYOIFJCHQFI-KYOSRNDESA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188124 443255675 /nfs/dbraw/zinc/25/56/75/443255675.db2.gz BGOGYOIFJCHQFI-KYOSRNDESA-N 1 2 347.371 1.467 20 5 EDBDLO C[N@H+](CCn1cccn1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264697488 443379453 /nfs/dbraw/zinc/37/94/53/443379453.db2.gz GQFXLWCGHPSCHN-UHFFFAOYSA-N 1 2 347.331 1.091 20 5 EDBDLO C[N@@H+](CCn1cccn1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264697488 443379458 /nfs/dbraw/zinc/37/94/58/443379458.db2.gz GQFXLWCGHPSCHN-UHFFFAOYSA-N 1 2 347.331 1.091 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000278841799 443459000 /nfs/dbraw/zinc/45/90/00/443459000.db2.gz KXMXQDPOKOUHMH-SNVBAGLBSA-N 1 2 325.394 1.461 20 5 EDBDLO CC[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273127657 443544320 /nfs/dbraw/zinc/54/43/20/443544320.db2.gz IFJBSDCPIKSPRF-RISCZKNCSA-N 1 2 328.390 1.071 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000273127657 443544324 /nfs/dbraw/zinc/54/43/24/443544324.db2.gz IFJBSDCPIKSPRF-RISCZKNCSA-N 1 2 328.390 1.071 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)[C@H]3CCCO3)n2)cc1 ZINC000447924966 320147413 /nfs/dbraw/zinc/14/74/13/320147413.db2.gz XTWLZJQOEUDHGF-QWHCGFSZSA-N 1 2 334.332 1.274 20 5 EDBDLO COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000450198243 320212575 /nfs/dbraw/zinc/21/25/75/320212575.db2.gz RERRVTSAXYYLFJ-ZDUSSCGKSA-N 1 2 330.344 1.935 20 5 EDBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1O ZINC000450387276 320218678 /nfs/dbraw/zinc/21/86/78/320218678.db2.gz HAZYDRFEXCSMGI-XHDPSFHLSA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccn(C)n1 ZINC000459788587 320349711 /nfs/dbraw/zinc/34/97/11/320349711.db2.gz LSSMWVRKDLELDX-NHYWBVRUSA-N 1 2 329.360 1.784 20 5 EDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492090683 320375763 /nfs/dbraw/zinc/37/57/63/320375763.db2.gz ZSLBEDINTRXXRD-GFCCVEGCSA-N 1 2 336.373 1.226 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000276805260 443834065 /nfs/dbraw/zinc/83/40/65/443834065.db2.gz LGAHSOMQOUBFQT-LBPRGKRZSA-N 1 2 338.389 1.775 20 5 EDBDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)N1 ZINC000285187116 443888076 /nfs/dbraw/zinc/88/80/76/443888076.db2.gz DNETZKZVCZZZFZ-CQSZACIVSA-N 1 2 340.286 1.047 20 5 EDBDLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)N1 ZINC000285187116 443888078 /nfs/dbraw/zinc/88/80/78/443888078.db2.gz DNETZKZVCZZZFZ-CQSZACIVSA-N 1 2 340.286 1.047 20 5 EDBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000281486242 443924425 /nfs/dbraw/zinc/92/44/25/443924425.db2.gz DNOLXQPDFVOQQM-GFCCVEGCSA-N 1 2 332.364 1.762 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000299446713 444048753 /nfs/dbraw/zinc/04/87/53/444048753.db2.gz NVQDRIWRADGSHC-ZDUSSCGKSA-N 1 2 329.360 1.755 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000299446713 444048756 /nfs/dbraw/zinc/04/87/56/444048756.db2.gz NVQDRIWRADGSHC-ZDUSSCGKSA-N 1 2 329.360 1.755 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000299446713 444048758 /nfs/dbraw/zinc/04/87/58/444048758.db2.gz NVQDRIWRADGSHC-ZDUSSCGKSA-N 1 2 329.360 1.755 20 5 EDBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000299446713 444048761 /nfs/dbraw/zinc/04/87/61/444048761.db2.gz NVQDRIWRADGSHC-ZDUSSCGKSA-N 1 2 329.360 1.755 20 5 EDBDLO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000282035626 444068371 /nfs/dbraw/zinc/06/83/71/444068371.db2.gz JHXIRKSSMJSVFP-JQWIXIFHSA-N 1 2 343.343 1.177 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000555813231 320971558 /nfs/dbraw/zinc/97/15/58/320971558.db2.gz AISZTUDEDNNMAT-ZDUSSCGKSA-N 1 2 336.392 1.457 20 5 EDBDLO O=C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000564918395 321157448 /nfs/dbraw/zinc/15/74/48/321157448.db2.gz LKRGNWUZYNRJAN-MFKMUULPSA-N 1 2 349.343 1.373 20 5 EDBDLO O=C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000564918395 321157449 /nfs/dbraw/zinc/15/74/49/321157449.db2.gz LKRGNWUZYNRJAN-MFKMUULPSA-N 1 2 349.343 1.373 20 5 EDBDLO O=[N+]([O-])c1ccn(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000278147234 444106010 /nfs/dbraw/zinc/10/60/10/444106010.db2.gz SJQDRQYXOSQXOX-WDEREUQCSA-N 1 2 334.336 1.148 20 5 EDBDLO O=[N+]([O-])c1ccn(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000278147234 444106012 /nfs/dbraw/zinc/10/60/12/444106012.db2.gz SJQDRQYXOSQXOX-WDEREUQCSA-N 1 2 334.336 1.148 20 5 EDBDLO CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)[nH+]cn2)CC1=O ZINC000302564863 444216392 /nfs/dbraw/zinc/21/63/92/444216392.db2.gz MUXXJAIBQFSMLL-UHFFFAOYSA-N 1 2 342.359 1.275 20 5 EDBDLO CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc[nH+]2)CC1=O ZINC000302564863 444216395 /nfs/dbraw/zinc/21/63/95/444216395.db2.gz MUXXJAIBQFSMLL-UHFFFAOYSA-N 1 2 342.359 1.275 20 5 EDBDLO Cc1cc(N2C[C@H](CO)OC[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301729123 444187687 /nfs/dbraw/zinc/18/76/87/444187687.db2.gz WMRLYBCQVZGWEP-IUODEOHRSA-N 1 2 344.371 1.946 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCOC1=O ZINC000289695508 444191944 /nfs/dbraw/zinc/19/19/44/444191944.db2.gz VXEIDGNVHOINMQ-OAHLLOKOSA-N 1 2 337.332 1.227 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000340784572 444509862 /nfs/dbraw/zinc/50/98/62/444509862.db2.gz UNONFAVNOOOUCK-AWEZNQCLSA-N 1 2 329.360 1.931 20 5 EDBDLO COc1cc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000343744793 444560433 /nfs/dbraw/zinc/56/04/33/444560433.db2.gz MHCIEHIMAAFPTB-UHFFFAOYSA-N 1 2 333.348 1.807 20 5 EDBDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344061218 444757669 /nfs/dbraw/zinc/75/76/69/444757669.db2.gz MMVYVWIBCNLNDD-DRCTWCGVSA-N 1 2 339.779 1.889 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344061218 444757671 /nfs/dbraw/zinc/75/76/71/444757671.db2.gz MMVYVWIBCNLNDD-DRCTWCGVSA-N 1 2 339.779 1.889 20 5 EDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330538782 445024556 /nfs/dbraw/zinc/02/45/56/445024556.db2.gz GGHNOZXZUAGMQF-VXGBXAGGSA-N 1 2 327.406 1.698 20 5 EDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330538782 445024561 /nfs/dbraw/zinc/02/45/61/445024561.db2.gz GGHNOZXZUAGMQF-VXGBXAGGSA-N 1 2 327.406 1.698 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343290036 445182612 /nfs/dbraw/zinc/18/26/12/445182612.db2.gz VJTIMSWBLDBBGH-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000348317714 445254443 /nfs/dbraw/zinc/25/44/43/445254443.db2.gz FDRYITXIGFDYQV-UHFFFAOYSA-N 1 2 330.344 1.751 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348114459 445274224 /nfs/dbraw/zinc/27/42/24/445274224.db2.gz SZNOPFKDRCFPSW-BDAKNGLRSA-N 1 2 349.347 1.973 20 5 EDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000348294204 445341336 /nfs/dbraw/zinc/34/13/36/445341336.db2.gz QHFIBYLXMBXGNR-SECBINFHSA-N 1 2 347.824 1.881 20 5 EDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000348294204 445341337 /nfs/dbraw/zinc/34/13/37/445341337.db2.gz QHFIBYLXMBXGNR-SECBINFHSA-N 1 2 347.824 1.881 20 5 EDBDLO Cc1cc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000359658996 445361748 /nfs/dbraw/zinc/36/17/48/445361748.db2.gz FZJVXQRQXGELCP-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1cc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000359658996 445361750 /nfs/dbraw/zinc/36/17/50/445361750.db2.gz FZJVXQRQXGELCP-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000351904258 445365228 /nfs/dbraw/zinc/36/52/28/445365228.db2.gz OORBAHWJWIDATC-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000351904258 445365234 /nfs/dbraw/zinc/36/52/34/445365234.db2.gz OORBAHWJWIDATC-OLZOCXBDSA-N 1 2 341.433 1.925 20 5 EDBDLO CN(C(=O)C[N@H+](C)CCc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000357022509 445380378 /nfs/dbraw/zinc/38/03/78/445380378.db2.gz JZSVGSMDHDTXHI-UHFFFAOYSA-N 1 2 329.360 1.522 20 5 EDBDLO CN(C(=O)C[N@@H+](C)CCc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000357022509 445380383 /nfs/dbraw/zinc/38/03/83/445380383.db2.gz JZSVGSMDHDTXHI-UHFFFAOYSA-N 1 2 329.360 1.522 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353510937 445636054 /nfs/dbraw/zinc/63/60/54/445636054.db2.gz AQJBZDMFWORJSM-VXGBXAGGSA-N 1 2 326.303 1.633 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2c([nH+]cn2C)C1 ZINC000364128712 445897175 /nfs/dbraw/zinc/89/71/75/445897175.db2.gz UIPGRZHXSWQIDJ-UHFFFAOYSA-N 1 2 336.373 1.384 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372925306 445924669 /nfs/dbraw/zinc/92/46/69/445924669.db2.gz BSJHPPOQCSOZNB-WDEREUQCSA-N 1 2 325.390 1.328 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000350969589 445960089 /nfs/dbraw/zinc/96/00/89/445960089.db2.gz FIHFKWYFGPDASI-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000350969589 445960094 /nfs/dbraw/zinc/96/00/94/445960094.db2.gz FIHFKWYFGPDASI-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO [NH3+][C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cscn1 ZINC000582663982 325898260 /nfs/dbraw/zinc/89/82/60/325898260.db2.gz QMHGKJWIVGVTAV-NOZJJQNGSA-N 1 2 348.388 1.159 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000370344435 446238585 /nfs/dbraw/zinc/23/85/85/446238585.db2.gz XLEPMBYDQREXSX-KKUMJFAQSA-N 1 2 338.360 1.281 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000370344435 446238590 /nfs/dbraw/zinc/23/85/90/446238590.db2.gz XLEPMBYDQREXSX-KKUMJFAQSA-N 1 2 338.360 1.281 20 5 EDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376219354 446386381 /nfs/dbraw/zinc/38/63/81/446386381.db2.gz NGCINQRCXROTDH-BXUZGUMPSA-N 1 2 334.376 1.233 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)n1 ZINC000366904903 446405855 /nfs/dbraw/zinc/40/58/55/446405855.db2.gz CREABOLKAZJRKW-GFCCVEGCSA-N 1 2 349.778 1.768 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000374846325 446415902 /nfs/dbraw/zinc/41/59/02/446415902.db2.gz YRUINDBBCKBIEB-UHFFFAOYSA-N 1 2 339.417 1.595 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000374846325 446415906 /nfs/dbraw/zinc/41/59/06/446415906.db2.gz YRUINDBBCKBIEB-UHFFFAOYSA-N 1 2 339.417 1.595 20 5 EDBDLO CN(C)c1nccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000453579719 446563426 /nfs/dbraw/zinc/56/34/26/446563426.db2.gz RSSLKRNYPCLTGJ-UHFFFAOYSA-N 1 2 343.391 1.168 20 5 EDBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000420441323 446616891 /nfs/dbraw/zinc/61/68/91/446616891.db2.gz OJQXGNQSDPXOKK-CQSZACIVSA-N 1 2 345.396 1.534 20 5 EDBDLO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000368188019 446695429 /nfs/dbraw/zinc/69/54/29/446695429.db2.gz KCHQCWIJKIPCLF-DZGCQCFKSA-N 1 2 333.388 1.419 20 5 EDBDLO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000368188019 446695434 /nfs/dbraw/zinc/69/54/34/446695434.db2.gz KCHQCWIJKIPCLF-DZGCQCFKSA-N 1 2 333.388 1.419 20 5 EDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411904487 446713177 /nfs/dbraw/zinc/71/31/77/446713177.db2.gz ACMOJAPQJARUPO-AVGNSLFASA-N 1 2 337.376 1.312 20 5 EDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411904487 446713187 /nfs/dbraw/zinc/71/31/87/446713187.db2.gz ACMOJAPQJARUPO-AVGNSLFASA-N 1 2 337.376 1.312 20 5 EDBDLO Cn1nccc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000377158364 446959133 /nfs/dbraw/zinc/95/91/33/446959133.db2.gz KTFWGDWDOVXWPB-FZMZJTMJSA-N 1 2 348.382 1.935 20 5 EDBDLO Cn1nccc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000377158364 446959137 /nfs/dbraw/zinc/95/91/37/446959137.db2.gz KTFWGDWDOVXWPB-FZMZJTMJSA-N 1 2 348.382 1.935 20 5 EDBDLO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000375758533 447026633 /nfs/dbraw/zinc/02/66/33/447026633.db2.gz OVZUPRDIHPMROB-ZDUSSCGKSA-N 1 2 348.403 1.152 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444623513 447110692 /nfs/dbraw/zinc/11/06/92/447110692.db2.gz BHIKPXOGYBFNFI-NSHDSACASA-N 1 2 331.376 1.962 20 5 EDBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444623513 447110702 /nfs/dbraw/zinc/11/07/02/447110702.db2.gz BHIKPXOGYBFNFI-NSHDSACASA-N 1 2 331.376 1.962 20 5 EDBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445002895 447155176 /nfs/dbraw/zinc/15/51/76/447155176.db2.gz ALTNQRPQKHVMPK-UHFFFAOYSA-N 1 2 339.311 1.811 20 5 EDBDLO CNc1nc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000456027030 447287189 /nfs/dbraw/zinc/28/71/89/447287189.db2.gz FVGNGUPCMNTNCU-LBPRGKRZSA-N 1 2 344.375 1.988 20 5 EDBDLO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019396 447267220 /nfs/dbraw/zinc/26/72/20/447267220.db2.gz XTNLRJRJTWLFEA-HIFRSBDPSA-N 1 2 347.350 1.794 20 5 EDBDLO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019396 447267223 /nfs/dbraw/zinc/26/72/23/447267223.db2.gz XTNLRJRJTWLFEA-HIFRSBDPSA-N 1 2 347.350 1.794 20 5 EDBDLO O=C(NCC[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450565068 447527621 /nfs/dbraw/zinc/52/76/21/447527621.db2.gz JMVBYEWJCAGNRX-LBPRGKRZSA-N 1 2 330.344 1.937 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416485448 447621428 /nfs/dbraw/zinc/62/14/28/447621428.db2.gz AYTAYGPXOARRFL-BETUJISGSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416485448 447621431 /nfs/dbraw/zinc/62/14/31/447621431.db2.gz AYTAYGPXOARRFL-BETUJISGSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408085328 447629565 /nfs/dbraw/zinc/62/95/65/447629565.db2.gz YROKZFWACFDQFF-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408085328 447629572 /nfs/dbraw/zinc/62/95/72/447629572.db2.gz YROKZFWACFDQFF-QWHCGFSZSA-N 1 2 341.433 1.925 20 5 EDBDLO COC(=O)c1cccnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000459422462 447661611 /nfs/dbraw/zinc/66/16/11/447661611.db2.gz ICEPTKVCEVRCDE-UHFFFAOYSA-N 1 2 345.359 1.810 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000459607619 447720091 /nfs/dbraw/zinc/72/00/91/447720091.db2.gz OVBCEJGQRFXJLJ-NTUHNPAUSA-N 1 2 333.388 1.787 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000552536394 447953476 /nfs/dbraw/zinc/95/34/76/447953476.db2.gz DFGJYJIYADNWNT-MRVPVSSYSA-N 1 2 330.300 1.334 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000552536394 447953481 /nfs/dbraw/zinc/95/34/81/447953481.db2.gz DFGJYJIYADNWNT-MRVPVSSYSA-N 1 2 330.300 1.334 20 5 EDBDLO COC[C@@](C)(O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552058117 447931014 /nfs/dbraw/zinc/93/10/14/447931014.db2.gz WFZSGPBXAXHDJC-ZBFHGGJFSA-N 1 2 334.376 1.405 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000491435326 448027366 /nfs/dbraw/zinc/02/73/66/448027366.db2.gz KCKJJRYUJBDSGK-OGOUPESXSA-N 1 2 337.351 1.584 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000491435326 448027368 /nfs/dbraw/zinc/02/73/68/448027368.db2.gz KCKJJRYUJBDSGK-OGOUPESXSA-N 1 2 337.351 1.584 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCO)CC1 ZINC000532552432 448271957 /nfs/dbraw/zinc/27/19/57/448271957.db2.gz NBHFXTCKLLXFGH-UHFFFAOYSA-N 1 2 337.376 1.636 20 5 EDBDLO COc1cccc([N+](=O)[O-])c1N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000515432782 448312617 /nfs/dbraw/zinc/31/26/17/448312617.db2.gz KNUJNAFKPDDNGX-ZDUSSCGKSA-N 1 2 331.376 1.830 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000515265939 448282155 /nfs/dbraw/zinc/28/21/55/448282155.db2.gz JZCBQNTUWBLKHB-AWEZNQCLSA-N 1 2 336.392 1.116 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000515265939 448282159 /nfs/dbraw/zinc/28/21/59/448282159.db2.gz JZCBQNTUWBLKHB-AWEZNQCLSA-N 1 2 336.392 1.116 20 5 EDBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CCO1 ZINC000566483390 448489597 /nfs/dbraw/zinc/48/95/97/448489597.db2.gz SWILONLWDIWMBK-ZDUSSCGKSA-N 1 2 338.408 2.300 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CCO1 ZINC000566483390 448489603 /nfs/dbraw/zinc/48/96/03/448489603.db2.gz SWILONLWDIWMBK-ZDUSSCGKSA-N 1 2 338.408 2.300 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000567862552 448776591 /nfs/dbraw/zinc/77/65/91/448776591.db2.gz JVCNQTIDYVJMPZ-JTQLQIEISA-N 1 2 335.332 1.131 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000589514003 449028220 /nfs/dbraw/zinc/02/82/20/449028220.db2.gz WNLXRRRNFVAIFC-WHOFXGATSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000589514003 449028225 /nfs/dbraw/zinc/02/82/25/449028225.db2.gz WNLXRRRNFVAIFC-WHOFXGATSA-N 1 2 347.371 1.467 20 5 EDBDLO Nc1nccc(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000548712112 449087192 /nfs/dbraw/zinc/08/71/92/449087192.db2.gz UKVLJWBBALKQAY-UHFFFAOYSA-N 1 2 326.316 1.192 20 5 EDBDLO COc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597996907 449181760 /nfs/dbraw/zinc/18/17/60/449181760.db2.gz RDHWVXHLQWYRFB-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO COc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597996907 449181771 /nfs/dbraw/zinc/18/17/71/449181771.db2.gz RDHWVXHLQWYRFB-NEPJUHHUSA-N 1 2 337.376 1.442 20 5 EDBDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595880790 449228390 /nfs/dbraw/zinc/22/83/90/449228390.db2.gz ZKEQWUIXNLLDFI-WFASDCNBSA-N 1 2 342.417 1.319 20 5 EDBDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595880790 449228394 /nfs/dbraw/zinc/22/83/94/449228394.db2.gz ZKEQWUIXNLLDFI-WFASDCNBSA-N 1 2 342.417 1.319 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000590684766 449246124 /nfs/dbraw/zinc/24/61/24/449246124.db2.gz HMRJXMAKVKVGAE-UHFFFAOYSA-N 1 2 343.387 1.353 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000611515963 449317331 /nfs/dbraw/zinc/31/73/31/449317331.db2.gz UIRXWARDJSLGDR-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000611515963 449317339 /nfs/dbraw/zinc/31/73/39/449317339.db2.gz UIRXWARDJSLGDR-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000600578260 449449018 /nfs/dbraw/zinc/44/90/18/449449018.db2.gz DPYYZWOLXRHCEL-TXEJJXNPSA-N 1 2 343.343 1.116 20 5 EDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598947242 449663787 /nfs/dbraw/zinc/66/37/87/449663787.db2.gz KKMBZKCKZRLCEO-SECBINFHSA-N 1 2 326.316 1.412 20 5 EDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601040440 449670943 /nfs/dbraw/zinc/67/09/43/449670943.db2.gz NMXJKESUQOOFJX-UHFFFAOYSA-N 1 2 347.350 1.425 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)c1 ZINC000594718761 449644960 /nfs/dbraw/zinc/64/49/60/449644960.db2.gz SWVZDVGXUUXZPF-CYBMUJFWSA-N 1 2 344.293 1.673 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCOCC3)C2)n1 ZINC000599095093 449728665 /nfs/dbraw/zinc/72/86/65/449728665.db2.gz QRZGBMCFCQRAMR-UHFFFAOYSA-N 1 2 336.348 1.052 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000612573489 449780939 /nfs/dbraw/zinc/78/09/39/449780939.db2.gz HORUJJLHNHCVNJ-UHFFFAOYSA-N 1 2 334.401 1.953 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000602802162 449820505 /nfs/dbraw/zinc/82/05/05/449820505.db2.gz XNUGKYQRAONMFQ-JTQLQIEISA-N 1 2 335.330 1.668 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000602802162 449820510 /nfs/dbraw/zinc/82/05/10/449820510.db2.gz XNUGKYQRAONMFQ-JTQLQIEISA-N 1 2 335.330 1.668 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])s1 ZINC000601416427 449932216 /nfs/dbraw/zinc/93/22/16/449932216.db2.gz PVEOWHLPXTYMSW-UHFFFAOYSA-N 1 2 328.375 1.366 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3nnc(C)n3C)CC2)cc1[N+](=O)[O-] ZINC000602941854 449943194 /nfs/dbraw/zinc/94/31/94/449943194.db2.gz KWGRHBUTAHOGLQ-UHFFFAOYSA-N 1 2 346.391 1.363 20 5 EDBDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602900857 449907078 /nfs/dbraw/zinc/90/70/78/449907078.db2.gz WCHRAODSWBLINY-WCQYABFASA-N 1 2 345.193 1.675 20 5 EDBDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602900857 449907080 /nfs/dbraw/zinc/90/70/80/449907080.db2.gz WCHRAODSWBLINY-WCQYABFASA-N 1 2 345.193 1.675 20 5 EDBDLO COc1ccc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609304924 450002059 /nfs/dbraw/zinc/00/20/59/450002059.db2.gz SDXNZYABFNCQGC-UHFFFAOYSA-N 1 2 342.355 1.961 20 5 EDBDLO CNc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000613234915 450094531 /nfs/dbraw/zinc/09/45/31/450094531.db2.gz SPOJUCHGKOZCDT-LBPRGKRZSA-N 1 2 334.376 1.183 20 5 EDBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618367302 450176269 /nfs/dbraw/zinc/17/62/69/450176269.db2.gz HPHDNQXFKHPSRZ-UHFFFAOYSA-N 1 2 328.328 1.441 20 5 EDBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000595502398 450190808 /nfs/dbraw/zinc/19/08/08/450190808.db2.gz RYJMQBRETKYVMH-LBPRGKRZSA-N 1 2 331.369 1.200 20 5 EDBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000595502398 450190818 /nfs/dbraw/zinc/19/08/18/450190818.db2.gz RYJMQBRETKYVMH-LBPRGKRZSA-N 1 2 331.369 1.200 20 5 EDBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610924271 450381496 /nfs/dbraw/zinc/38/14/96/450381496.db2.gz IIOCHZYEEPOACL-ZDUSSCGKSA-N 1 2 344.371 1.623 20 5 EDBDLO CNC(=O)COc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000725846570 578288658 /nfs/dbraw/zinc/28/86/58/578288658.db2.gz IBKZUFYZQMSENY-UHFFFAOYSA-N 1 2 345.355 1.715 20 5 EDBDLO NC(=O)C[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729633147 578586008 /nfs/dbraw/zinc/58/60/08/578586008.db2.gz KFNGCFXXWBZXGY-UHFFFAOYSA-N 1 2 335.389 1.202 20 5 EDBDLO NC(=O)C[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729633147 578586009 /nfs/dbraw/zinc/58/60/09/578586009.db2.gz KFNGCFXXWBZXGY-UHFFFAOYSA-N 1 2 335.389 1.202 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000729983581 578605664 /nfs/dbraw/zinc/60/56/64/578605664.db2.gz CTCSDBSTEZSPFC-CYBMUJFWSA-N 1 2 337.424 1.992 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000729983581 578605665 /nfs/dbraw/zinc/60/56/65/578605665.db2.gz CTCSDBSTEZSPFC-CYBMUJFWSA-N 1 2 337.424 1.992 20 5 EDBDLO CN(C)c1[nH+]cccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000731614780 578677177 /nfs/dbraw/zinc/67/71/77/578677177.db2.gz ARDRSNJCNVFMTQ-UHFFFAOYSA-N 1 2 344.327 1.886 20 5 EDBDLO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCCOCC2)C1=O ZINC000748073260 579668553 /nfs/dbraw/zinc/66/85/53/579668553.db2.gz TYEJTZXWVMWZEY-INIZCTEOSA-N 1 2 348.359 1.042 20 5 EDBDLO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCCOCC2)C1=O ZINC000748073260 579668555 /nfs/dbraw/zinc/66/85/55/579668555.db2.gz TYEJTZXWVMWZEY-INIZCTEOSA-N 1 2 348.359 1.042 20 5 EDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000763205807 580095072 /nfs/dbraw/zinc/09/50/72/580095072.db2.gz RABOMKYAJURUIJ-CQSZACIVSA-N 1 2 333.388 1.956 20 5 EDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765740313 580150370 /nfs/dbraw/zinc/15/03/70/580150370.db2.gz VSVUBJSLPPQLGZ-QWRGUYRKSA-N 1 2 345.396 1.837 20 5 EDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765740313 580150371 /nfs/dbraw/zinc/15/03/71/580150371.db2.gz VSVUBJSLPPQLGZ-QWRGUYRKSA-N 1 2 345.396 1.837 20 5 EDBDLO O=C([C@@H]1CC12CC[NH+](Cn1nccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000770676308 580267330 /nfs/dbraw/zinc/26/73/30/580267330.db2.gz JTHUEXVNLPUTFP-AWEZNQCLSA-N 1 2 347.419 1.863 20 5 EDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770715607 580269139 /nfs/dbraw/zinc/26/91/39/580269139.db2.gz ABICXEOMRRZWKU-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770715607 580269140 /nfs/dbraw/zinc/26/91/40/580269140.db2.gz ABICXEOMRRZWKU-UWVGGRQHSA-N 1 2 331.369 1.447 20 5 EDBDLO CCNC(=O)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628591 580368116 /nfs/dbraw/zinc/36/81/16/580368116.db2.gz XTTZHGDCLTXPEK-UHFFFAOYSA-N 1 2 325.756 1.623 20 5 EDBDLO CCNC(=O)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628591 580368117 /nfs/dbraw/zinc/36/81/17/580368117.db2.gz XTTZHGDCLTXPEK-UHFFFAOYSA-N 1 2 325.756 1.623 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579923 580421980 /nfs/dbraw/zinc/42/19/80/580421980.db2.gz SHHOCXHURGFGQE-IRXDYDNUSA-N 1 2 341.367 1.540 20 5 EDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579923 580421981 /nfs/dbraw/zinc/42/19/81/580421981.db2.gz SHHOCXHURGFGQE-IRXDYDNUSA-N 1 2 341.367 1.540 20 5 EDBDLO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000776586809 580422636 /nfs/dbraw/zinc/42/26/36/580422636.db2.gz QJRBDTQKLDEAEV-KGLIPLIRSA-N 1 2 328.390 1.137 20 5 EDBDLO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000776586809 580422637 /nfs/dbraw/zinc/42/26/37/580422637.db2.gz QJRBDTQKLDEAEV-KGLIPLIRSA-N 1 2 328.390 1.137 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](n4cncn4)C3)n2)c1 ZINC000776775990 580428908 /nfs/dbraw/zinc/42/89/08/580428908.db2.gz QWBICQMEVSMCAS-CQSZACIVSA-N 1 2 340.347 1.349 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](n4cncn4)C3)n2)c1 ZINC000776775990 580428909 /nfs/dbraw/zinc/42/89/09/580428909.db2.gz QWBICQMEVSMCAS-CQSZACIVSA-N 1 2 340.347 1.349 20 5 EDBDLO COC(=O)[C@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000782264505 580570045 /nfs/dbraw/zinc/57/00/45/580570045.db2.gz JDOQCAXPMSRHII-AWEZNQCLSA-N 1 2 349.387 1.784 20 5 EDBDLO COC(=O)[C@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000782264505 580570046 /nfs/dbraw/zinc/57/00/46/580570046.db2.gz JDOQCAXPMSRHII-AWEZNQCLSA-N 1 2 349.387 1.784 20 5 EDBDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000782487814 580575888 /nfs/dbraw/zinc/57/58/88/580575888.db2.gz MLOGNPQWUZALGE-JOCHJYFZSA-N 1 2 345.852 1.744 20 5 EDBDLO C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000782881065 580587550 /nfs/dbraw/zinc/58/75/50/580587550.db2.gz HJDWHLTWDHMPCA-NSHDSACASA-N 1 2 343.343 1.083 20 5 EDBDLO O=C(OCC[C@@H]1CNC(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000792002797 580807398 /nfs/dbraw/zinc/80/73/98/580807398.db2.gz CLLREOVLAQMZJU-NSHDSACASA-N 1 2 344.327 1.464 20 5 EDBDLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794636398 580901087 /nfs/dbraw/zinc/90/10/87/580901087.db2.gz IVFLIOAPBKVCPG-NWDGAFQWSA-N 1 2 348.359 1.604 20 5 EDBDLO C[C@H](O)C[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794636398 580901088 /nfs/dbraw/zinc/90/10/88/580901088.db2.gz IVFLIOAPBKVCPG-NWDGAFQWSA-N 1 2 348.359 1.604 20 5 EDBDLO COC[C@]1(C)CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644623 580932548 /nfs/dbraw/zinc/93/25/48/580932548.db2.gz NHMDGYXUFJMCCL-QGZVFWFLSA-N 1 2 335.404 1.912 20 5 EDBDLO COC[C@]1(C)CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795644623 580932549 /nfs/dbraw/zinc/93/25/49/580932549.db2.gz NHMDGYXUFJMCCL-QGZVFWFLSA-N 1 2 335.404 1.912 20 5 EDBDLO CC(C)C[C@@H]1NC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795645007 580932582 /nfs/dbraw/zinc/93/25/82/580932582.db2.gz NDZKDVWOMIDYKC-AWEZNQCLSA-N 1 2 348.403 1.993 20 5 EDBDLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000795645007 580932583 /nfs/dbraw/zinc/93/25/83/580932583.db2.gz NDZKDVWOMIDYKC-AWEZNQCLSA-N 1 2 348.403 1.993 20 5 EDBDLO CCNc1ccc(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000800087314 581042479 /nfs/dbraw/zinc/04/24/79/581042479.db2.gz SZWKORDNVKEDFZ-LBPRGKRZSA-N 1 2 337.376 1.904 20 5 EDBDLO CCNc1ccc(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000800087314 581042480 /nfs/dbraw/zinc/04/24/80/581042480.db2.gz SZWKORDNVKEDFZ-LBPRGKRZSA-N 1 2 337.376 1.904 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2ccc(C)c([N+](=O)[O-])c2)C[N@@H+]1C ZINC000893561762 590961754 /nfs/dbraw/zinc/96/17/54/590961754.db2.gz JFVCXXACFPLUPW-MLGOLLRUSA-N 1 2 336.344 1.696 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2ccc(C)c([N+](=O)[O-])c2)C[N@H+]1C ZINC000893561762 590961756 /nfs/dbraw/zinc/96/17/56/590961756.db2.gz JFVCXXACFPLUPW-MLGOLLRUSA-N 1 2 336.344 1.696 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1C ZINC000893561746 590961836 /nfs/dbraw/zinc/96/18/36/590961836.db2.gz JEFBIBPWJZZZDN-BLLLJJGKSA-N 1 2 336.344 1.316 20 5 EDBDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1C ZINC000893561746 590961839 /nfs/dbraw/zinc/96/18/39/590961839.db2.gz JEFBIBPWJZZZDN-BLLLJJGKSA-N 1 2 336.344 1.316 20 5 EDBDLO COc1c(O)ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[N+](=O)[O-] ZINC000895627942 591235300 /nfs/dbraw/zinc/23/53/00/591235300.db2.gz IXGYDCMOTMBXDL-YCDSQXFLSA-N 1 2 340.401 1.794 20 5 EDBDLO COc1c(O)ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[N+](=O)[O-] ZINC000895627942 591235303 /nfs/dbraw/zinc/23/53/03/591235303.db2.gz IXGYDCMOTMBXDL-YCDSQXFLSA-N 1 2 340.401 1.794 20 5 EDBDLO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247887 591680917 /nfs/dbraw/zinc/68/09/17/591680917.db2.gz JOHKOEBSRJQTBY-BLLLJJGKSA-N 1 2 333.436 1.915 20 5 EDBDLO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CN(C)CC[N@H+]1C ZINC000895247887 591680919 /nfs/dbraw/zinc/68/09/19/591680919.db2.gz JOHKOEBSRJQTBY-BLLLJJGKSA-N 1 2 333.436 1.915 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@](O)(C(F)F)C3)n2)cc1 ZINC000840119495 593202677 /nfs/dbraw/zinc/20/26/77/593202677.db2.gz RIEBBRNLHMWIQK-AWEZNQCLSA-N 1 2 339.302 1.513 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@](O)(C(F)F)C3)n2)cc1 ZINC000840119495 593202679 /nfs/dbraw/zinc/20/26/79/593202679.db2.gz RIEBBRNLHMWIQK-AWEZNQCLSA-N 1 2 339.302 1.513 20 5 EDBDLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000802237343 593237650 /nfs/dbraw/zinc/23/76/50/593237650.db2.gz DAUAPBWKITZMIH-VIFPVBQESA-N 1 2 326.280 1.524 20 5 EDBDLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000802237343 593237652 /nfs/dbraw/zinc/23/76/52/593237652.db2.gz DAUAPBWKITZMIH-VIFPVBQESA-N 1 2 326.280 1.524 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839552089 593335093 /nfs/dbraw/zinc/33/50/93/593335093.db2.gz ZLBIXRUEAIMOKK-AUADJRAKSA-N 1 2 347.824 1.886 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839552089 593335095 /nfs/dbraw/zinc/33/50/95/593335095.db2.gz ZLBIXRUEAIMOKK-AUADJRAKSA-N 1 2 347.824 1.886 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839552092 593335160 /nfs/dbraw/zinc/33/51/60/593335160.db2.gz ZLBIXRUEAIMOKK-PVBMHHQDSA-N 1 2 347.824 1.886 20 5 EDBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839552092 593335162 /nfs/dbraw/zinc/33/51/62/593335162.db2.gz ZLBIXRUEAIMOKK-PVBMHHQDSA-N 1 2 347.824 1.886 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1Br ZINC000839579026 593342909 /nfs/dbraw/zinc/34/29/09/593342909.db2.gz RPWOGVQTZUEFOW-PWSUYJOCSA-N 1 2 345.193 1.532 20 5 EDBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1Br ZINC000839579026 593342911 /nfs/dbraw/zinc/34/29/11/593342911.db2.gz RPWOGVQTZUEFOW-PWSUYJOCSA-N 1 2 345.193 1.532 20 5 EDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335695 593405937 /nfs/dbraw/zinc/40/59/37/593405937.db2.gz CUAKDXDYZQXZGI-LBPRGKRZSA-N 1 2 340.343 1.272 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2ncn(CN3CCn4c[nH+]cc4C3)n2)c1 ZINC000811787139 593481931 /nfs/dbraw/zinc/48/19/31/593481931.db2.gz FWSWVYOPPGJGMZ-UHFFFAOYSA-N 1 2 325.332 1.523 20 5 EDBDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000812837533 593510616 /nfs/dbraw/zinc/51/06/16/593510616.db2.gz RLMORYXJVDPPPX-UHFFFAOYSA-N 1 2 330.768 1.852 20 5 EDBDLO CC(C)(CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000824008169 593906473 /nfs/dbraw/zinc/90/64/73/593906473.db2.gz HDZDWMQUMNIYTF-UHFFFAOYSA-N 1 2 337.380 1.409 20 5 EDBDLO CCn1nc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000823458595 594204261 /nfs/dbraw/zinc/20/42/61/594204261.db2.gz ADUXIQCAHNUAEG-LBPRGKRZSA-N 1 2 331.380 1.596 20 5 EDBDLO CCn1nc(C)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000823458595 594204263 /nfs/dbraw/zinc/20/42/63/594204263.db2.gz ADUXIQCAHNUAEG-LBPRGKRZSA-N 1 2 331.380 1.596 20 5 EDBDLO 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ZINC000843792221 595187713 /nfs/dbraw/zinc/18/77/13/595187713.db2.gz YTIBPHOSKNPVGU-NEPJUHHUSA-N 1 2 339.367 1.881 20 5 EDBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000844393682 595336229 /nfs/dbraw/zinc/33/62/29/595336229.db2.gz KDULJVVDFJHQMP-WDEREUQCSA-N 1 2 345.193 1.939 20 5 EDBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000844393682 595336231 /nfs/dbraw/zinc/33/62/31/595336231.db2.gz KDULJVVDFJHQMP-WDEREUQCSA-N 1 2 345.193 1.939 20 5 EDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986644 595677821 /nfs/dbraw/zinc/67/78/21/595677821.db2.gz OATALBJAIYLKKZ-WDEREUQCSA-N 1 2 347.379 1.285 20 5 EDBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000111170710 595709633 /nfs/dbraw/zinc/70/96/33/595709633.db2.gz WJFUKQXXONUFIU-OAHLLOKOSA-N 1 2 343.387 1.989 20 5 EDBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000111170710 595709638 /nfs/dbraw/zinc/70/96/38/595709638.db2.gz 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Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872296791 596872547 /nfs/dbraw/zinc/87/25/47/596872547.db2.gz AUNALAJJPXITFE-UHFFFAOYSA-N 1 2 327.344 1.785 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000879929014 597769094 /nfs/dbraw/zinc/76/90/94/597769094.db2.gz FNVDZJHVRKQXKF-QWHCGFSZSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000879929014 597769100 /nfs/dbraw/zinc/76/91/00/597769100.db2.gz FNVDZJHVRKQXKF-QWHCGFSZSA-N 1 2 340.401 1.340 20 5 EDBDLO O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)CCn1cc[nH+]c1)C2 ZINC000882018908 597843991 /nfs/dbraw/zinc/84/39/91/597843991.db2.gz HDMWIZKFVZDMKJ-UHFFFAOYSA-N 1 2 336.373 1.179 20 5 EDBDLO COCC1([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186423 597869276 /nfs/dbraw/zinc/86/92/76/597869276.db2.gz WDQWEPHOBILCRG-UHFFFAOYSA-N 1 2 342.417 1.869 20 5 EDBDLO COCC1([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186423 597869277 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1 2 337.376 1.442 20 5 EDBDLO C[C@@]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000195223300 139010704 /nfs/dbraw/zinc/01/07/04/139010704.db2.gz NMJFWJXGGXTPSY-KRWDZBQOSA-N 1 2 342.355 1.524 20 5 EDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000110472882 220037336 /nfs/dbraw/zinc/03/73/36/220037336.db2.gz ANCSBLLCBMLBNB-UHFFFAOYSA-N 1 2 332.341 1.721 20 5 EDBDLO O=C(C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)NC1CC1 ZINC000255587289 139208076 /nfs/dbraw/zinc/20/80/76/139208076.db2.gz FPDMJRFMLORDGV-HYXAFXHYSA-N 1 2 344.415 1.504 20 5 EDBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000176262980 207208322 /nfs/dbraw/zinc/20/83/22/207208322.db2.gz RKIBMANJEWNYSU-LBPRGKRZSA-N 1 2 339.396 1.733 20 5 EDBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1C(=O)OC(C)(C)C ZINC000176262980 207208326 /nfs/dbraw/zinc/20/83/26/207208326.db2.gz RKIBMANJEWNYSU-LBPRGKRZSA-N 1 2 339.396 1.733 20 5 EDBDLO CCc1n[nH]c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] 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ZINC000350872092 292179697 /nfs/dbraw/zinc/17/96/97/292179697.db2.gz UITKUVDXDNUQCS-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350872092 292179698 /nfs/dbraw/zinc/17/96/98/292179698.db2.gz UITKUVDXDNUQCS-NWDGAFQWSA-N 1 2 327.406 1.616 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000353404919 149393920 /nfs/dbraw/zinc/39/39/20/149393920.db2.gz NKKFVBUHOOTWAL-HUUCEWRRSA-N 1 2 332.360 1.423 20 5 EDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]cn2C)cc1SC ZINC000355259471 150188728 /nfs/dbraw/zinc/18/87/28/150188728.db2.gz WZAXLLZUSYYCRT-UHFFFAOYSA-N 1 2 336.373 1.989 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000355266336 150192484 /nfs/dbraw/zinc/19/24/84/150192484.db2.gz MUROKCJBJDWLDR-UHFFFAOYSA-N 1 2 326.259 1.860 20 5 EDBDLO COc1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000355609379 150334794 /nfs/dbraw/zinc/33/47/94/150334794.db2.gz RABPUMWVFDFWHE-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COc1c(C(=O)NCC[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000355609379 150334797 /nfs/dbraw/zinc/33/47/97/150334797.db2.gz RABPUMWVFDFWHE-UHFFFAOYSA-N 1 2 337.376 1.444 20 5 EDBDLO COC(=O)c1cc(-c2nc(Cc3c[nH+]cn3C)no2)cc([N+](=O)[O-])c1 ZINC000357956290 151209584 /nfs/dbraw/zinc/20/95/84/151209584.db2.gz SAZOZEQMAQOSQN-UHFFFAOYSA-N 1 2 343.299 1.756 20 5 EDBDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364334087 153208540 /nfs/dbraw/zinc/20/85/40/153208540.db2.gz DOCWEDNLEVGGJM-ZDUSSCGKSA-N 1 2 337.424 1.981 20 5 EDBDLO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364334087 153208543 /nfs/dbraw/zinc/20/85/43/153208543.db2.gz DOCWEDNLEVGGJM-ZDUSSCGKSA-N 1 2 337.424 1.981 20 5 EDBDLO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364344253 153211758 /nfs/dbraw/zinc/21/17/58/153211758.db2.gz XRIHEKVOXDLPKD-CYBMUJFWSA-N 1 2 346.391 1.658 20 5 EDBDLO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364344253 153211760 /nfs/dbraw/zinc/21/17/60/153211760.db2.gz XRIHEKVOXDLPKD-CYBMUJFWSA-N 1 2 346.391 1.658 20 5 EDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083359 154004051 /nfs/dbraw/zinc/00/40/51/154004051.db2.gz FNSVBZZPAMBLBQ-MRXNPFEDSA-N 1 2 326.356 1.705 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CCC2 ZINC000372249104 156286864 /nfs/dbraw/zinc/28/68/64/156286864.db2.gz MACUOWVFVBHIHE-NSHDSACASA-N 1 2 329.360 1.989 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372292752 156317979 /nfs/dbraw/zinc/31/79/79/156317979.db2.gz AEWCJCZCGLOCGW-CQSZACIVSA-N 1 2 335.360 1.389 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372292752 156317982 /nfs/dbraw/zinc/31/79/82/156317982.db2.gz AEWCJCZCGLOCGW-CQSZACIVSA-N 1 2 335.360 1.389 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 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342.359 1.275 20 5 EDBDLO CN1CCN(c2cc(NCc3ccccc3[N+](=O)[O-])nc[nH+]2)CC1=O ZINC000274830179 268216904 /nfs/dbraw/zinc/21/69/04/268216904.db2.gz SDZRMLLQJMSLOD-UHFFFAOYSA-N 1 2 342.359 1.275 20 5 EDBDLO C[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000275068137 268274630 /nfs/dbraw/zinc/27/46/30/268274630.db2.gz YLLHVAPCNCCYLF-VIFPVBQESA-N 1 2 345.197 1.255 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)c1 ZINC000275591455 268364693 /nfs/dbraw/zinc/36/46/93/268364693.db2.gz HUEVWFUZTREGJS-CYBMUJFWSA-N 1 2 342.403 1.986 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)c1 ZINC000275591455 268364694 /nfs/dbraw/zinc/36/46/94/268364694.db2.gz HUEVWFUZTREGJS-CYBMUJFWSA-N 1 2 342.403 1.986 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276638699 268455106 /nfs/dbraw/zinc/45/51/06/268455106.db2.gz PCFHDXQJPGCAJY-UHFFFAOYSA-N 1 2 343.387 1.529 20 5 EDBDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)c[nH+]2)CCO1 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ULSVHIUIMAMVNI-GFCCVEGCSA-N 1 2 349.387 1.464 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000283432774 273856277 /nfs/dbraw/zinc/85/62/77/273856277.db2.gz JISVSLCGMNEIAR-GFCCVEGCSA-N 1 2 337.376 1.444 20 5 EDBDLO Cc1cc(OCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284099037 274079279 /nfs/dbraw/zinc/07/92/79/274079279.db2.gz NNLYJQTULJVBKW-HOTGVXAUSA-N 1 2 349.387 1.214 20 5 EDBDLO Cc1cc(OCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284099037 274079281 /nfs/dbraw/zinc/07/92/81/274079281.db2.gz NNLYJQTULJVBKW-HOTGVXAUSA-N 1 2 349.387 1.214 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC000284369556 274178156 /nfs/dbraw/zinc/17/81/56/274178156.db2.gz FGRJQJWHAXAEAT-OLZOCXBDSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC000284369556 274178158 /nfs/dbraw/zinc/17/81/58/274178158.db2.gz FGRJQJWHAXAEAT-OLZOCXBDSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000284474264 274215249 /nfs/dbraw/zinc/21/52/49/274215249.db2.gz MBRVRIIIBSRBRE-OLZOCXBDSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000284474264 274215250 /nfs/dbraw/zinc/21/52/50/274215250.db2.gz MBRVRIIIBSRBRE-OLZOCXBDSA-N 1 2 339.779 1.793 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284895534 274377501 /nfs/dbraw/zinc/37/75/01/274377501.db2.gz UMXVULZDIJCEJU-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284895534 274377504 /nfs/dbraw/zinc/37/75/04/274377504.db2.gz UMXVULZDIJCEJU-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284895534 274377506 /nfs/dbraw/zinc/37/75/06/274377506.db2.gz UMXVULZDIJCEJU-KCXAZCMYSA-N 1 2 348.403 1.327 20 5 EDBDLO 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ZINC000459500286 280266969 /nfs/dbraw/zinc/26/69/69/280266969.db2.gz GIQWIWGKNQIBSW-AAEUAGOBSA-N 1 2 325.752 1.338 20 5 EDBDLO O=C1CO[C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000459500286 280266970 /nfs/dbraw/zinc/26/69/70/280266970.db2.gz GIQWIWGKNQIBSW-AAEUAGOBSA-N 1 2 325.752 1.338 20 5 EDBDLO COc1cc(C(=O)N2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1OC ZINC000291145066 289008347 /nfs/dbraw/zinc/00/83/47/289008347.db2.gz PKMRNONFOKINIC-UHFFFAOYSA-N 1 2 332.316 1.465 20 5 EDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1F ZINC000366454719 289047950 /nfs/dbraw/zinc/04/79/50/289047950.db2.gz QCIWAMGPYFMSMG-DGCLKSJQSA-N 1 2 337.351 1.669 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000293371179 289600023 /nfs/dbraw/zinc/60/00/23/289600023.db2.gz NJMIUKGLYXVTFV-UHFFFAOYSA-N 1 2 347.327 1.702 20 5 EDBDLO Cc1ccnc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000365919210 292773991 /nfs/dbraw/zinc/77/39/91/292773991.db2.gz OFXXIWGSPPRVTH-ZDUSSCGKSA-N 1 2 333.392 1.089 20 5 EDBDLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000493259889 295410570 /nfs/dbraw/zinc/41/05/70/295410570.db2.gz IOPCRMUGJCCGNE-ARJAWSKDSA-N 1 2 328.332 1.075 20 5 EDBDLO Cc1cc(Cl)c(C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295366845 303209809 /nfs/dbraw/zinc/20/98/09/303209809.db2.gz WJRCFJPRZMGUKP-UHFFFAOYSA-N 1 2 341.795 1.961 20 5 EDBDLO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361258245 303744626 /nfs/dbraw/zinc/74/46/26/303744626.db2.gz OFCDZWZRXCODKQ-CYBMUJFWSA-N 1 2 335.360 1.284 20 5 EDBDLO CC(C)[C@@](C)(CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427363639 304989537 /nfs/dbraw/zinc/98/95/37/304989537.db2.gz XNBCVIGMOWSTLW-MRXNPFEDSA-N 1 2 332.360 1.917 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211289 305047685 /nfs/dbraw/zinc/04/76/85/305047685.db2.gz XLYHHUIORWSQEN-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211289 305047686 /nfs/dbraw/zinc/04/76/86/305047686.db2.gz XLYHHUIORWSQEN-ZDUSSCGKSA-N 1 2 343.405 1.117 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000432131146 305087868 /nfs/dbraw/zinc/08/78/68/305087868.db2.gz RYELOKQPGRHEAO-UHFFFAOYSA-N 1 2 345.359 1.910 20 5 EDBDLO NC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448675862 305301159 /nfs/dbraw/zinc/30/11/59/305301159.db2.gz OWBCKBKLDWNIET-ZDUSSCGKSA-N 1 2 343.343 1.261 20 5 EDBDLO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000449652438 305315897 /nfs/dbraw/zinc/31/58/97/305315897.db2.gz PXGVXUMFZTUHBC-QMMMGPOBSA-N 1 2 331.323 1.245 20 5 EDBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000450825357 305331397 /nfs/dbraw/zinc/33/13/97/305331397.db2.gz FGGSARSWCRHQPY-VIFPVBQESA-N 1 2 339.377 1.632 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451423133 305345029 /nfs/dbraw/zinc/34/50/29/305345029.db2.gz DILSCTHGMYQRRZ-ZUZCIYMTSA-N 1 2 343.330 1.932 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451423133 305345030 /nfs/dbraw/zinc/34/50/30/305345030.db2.gz DILSCTHGMYQRRZ-ZUZCIYMTSA-N 1 2 343.330 1.932 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451997142 305377375 /nfs/dbraw/zinc/37/73/75/305377375.db2.gz QRHJEJPLPXARJC-ZDUSSCGKSA-N 1 2 336.392 1.839 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451997142 305377376 /nfs/dbraw/zinc/37/73/76/305377376.db2.gz QRHJEJPLPXARJC-ZDUSSCGKSA-N 1 2 336.392 1.839 20 5 EDBDLO Cn1cc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000472354354 305542687 /nfs/dbraw/zinc/54/26/87/305542687.db2.gz INAMYTWMSPPTFP-UHFFFAOYSA-N 1 2 331.376 1.773 20 5 EDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC(n3cc[nH+]c3)C2)cc1OC ZINC000524373039 305815336 /nfs/dbraw/zinc/81/53/36/305815336.db2.gz NIMZHGPMGDZXJD-UHFFFAOYSA-N 1 2 346.343 1.896 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000541686071 306046678 /nfs/dbraw/zinc/04/66/78/306046678.db2.gz FHKPAHQWPAZLGA-MRVPVSSYSA-N 1 2 335.320 1.584 20 5 EDBDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543208381 306061630 /nfs/dbraw/zinc/06/16/30/306061630.db2.gz AXZWMTQODDCCKP-GFCCVEGCSA-N 1 2 347.375 1.004 20 5 EDBDLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543208381 306061631 /nfs/dbraw/zinc/06/16/31/306061631.db2.gz AXZWMTQODDCCKP-GFCCVEGCSA-N 1 2 347.375 1.004 20 5 EDBDLO COCC[NH+](CCOC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046503286 441112282 /nfs/dbraw/zinc/11/22/82/441112282.db2.gz IDZJPGKOKMAYPJ-UHFFFAOYSA-N 1 2 336.348 1.740 20 5 EDBDLO Cc1nn(C)c(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000047331232 441176755 /nfs/dbraw/zinc/17/67/55/441176755.db2.gz SJEOBYWGDVQRCH-UHFFFAOYSA-N 1 2 332.364 1.480 20 5 EDBDLO COCCc1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665333 441248210 /nfs/dbraw/zinc/24/82/10/441248210.db2.gz WDZNHFZAHAZSPI-NSHDSACASA-N 1 2 348.363 1.248 20 5 EDBDLO COCCc1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665333 441248213 /nfs/dbraw/zinc/24/82/13/441248213.db2.gz WDZNHFZAHAZSPI-NSHDSACASA-N 1 2 348.363 1.248 20 5 EDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000024243827 441306885 /nfs/dbraw/zinc/30/68/85/441306885.db2.gz UBYDPIKVVVGBKU-KBPBESRZSA-N 1 2 346.431 1.941 20 5 EDBDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000024243827 441306890 /nfs/dbraw/zinc/30/68/90/441306890.db2.gz UBYDPIKVVVGBKU-KBPBESRZSA-N 1 2 346.431 1.941 20 5 EDBDLO Cc1ccnc(NC(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090526326 441632856 /nfs/dbraw/zinc/63/28/56/441632856.db2.gz GHCRJFWVGJESMX-UHFFFAOYSA-N 1 2 345.359 1.030 20 5 EDBDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090526326 441632858 /nfs/dbraw/zinc/63/28/58/441632858.db2.gz GHCRJFWVGJESMX-UHFFFAOYSA-N 1 2 345.359 1.030 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000042005259 441693524 /nfs/dbraw/zinc/69/35/24/441693524.db2.gz FTMPBCJKCOQVCR-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068576313 441826698 /nfs/dbraw/zinc/82/66/98/441826698.db2.gz BCFMGMTXMVELLC-UHFFFAOYSA-N 1 2 334.376 1.476 20 5 EDBDLO COC(=O)CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068955898 441873358 /nfs/dbraw/zinc/87/33/58/441873358.db2.gz QLQJONDOPGLLCG-UHFFFAOYSA-N 1 2 346.343 1.854 20 5 EDBDLO COc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000124794658 441953674 /nfs/dbraw/zinc/95/36/74/441953674.db2.gz OPBKSGRUDDYLJB-UHFFFAOYSA-N 1 2 335.360 1.532 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000126353319 442102992 /nfs/dbraw/zinc/10/29/92/442102992.db2.gz QLYGTQKYBFEXRM-UHFFFAOYSA-N 1 2 339.417 1.626 20 5 EDBDLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000152597798 442229810 /nfs/dbraw/zinc/22/98/10/442229810.db2.gz LOSNOHNPENYOIY-GFCCVEGCSA-N 1 2 344.375 1.317 20 5 EDBDLO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000170812044 442267725 /nfs/dbraw/zinc/26/77/25/442267725.db2.gz UZBRFTCQXYSHGI-LBPRGKRZSA-N 1 2 339.779 1.795 20 5 EDBDLO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCN(C)CC1 ZINC000171216411 442329629 /nfs/dbraw/zinc/32/96/29/442329629.db2.gz DBCCZBROBFZROL-GFCCVEGCSA-N 1 2 347.419 1.527 20 5 EDBDLO CCc1n[nH]c(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000171670893 442368993 /nfs/dbraw/zinc/36/89/93/442368993.db2.gz JXCRMRSEZOHLHP-UHFFFAOYSA-N 1 2 328.332 1.501 20 5 EDBDLO CCS(=O)(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130856823 442358559 /nfs/dbraw/zinc/35/85/59/442358559.db2.gz SQNFVUAIOLDPJE-UHFFFAOYSA-N 1 2 327.406 1.499 20 5 EDBDLO CCS(=O)(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130856823 442358563 /nfs/dbraw/zinc/35/85/63/442358563.db2.gz SQNFVUAIOLDPJE-UHFFFAOYSA-N 1 2 327.406 1.499 20 5 EDBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000172690730 442521604 /nfs/dbraw/zinc/52/16/04/442521604.db2.gz SZMUYJQYLORLGY-LBPRGKRZSA-N 1 2 327.406 1.700 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccnc1-n1cc[nH+]c1 ZINC000192805845 442688094 /nfs/dbraw/zinc/68/80/94/442688094.db2.gz BWUXLVXAUNNVII-UHFFFAOYSA-N 1 2 339.315 1.282 20 5 EDBDLO CCC[N@@H+](CC(=O)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265913588 442967749 /nfs/dbraw/zinc/96/77/49/442967749.db2.gz LBDHMKZHTWJPDO-ZDUSSCGKSA-N 1 2 326.349 1.220 20 5 EDBDLO CCC[N@H+](CC(=O)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265913588 442967750 /nfs/dbraw/zinc/96/77/50/442967750.db2.gz LBDHMKZHTWJPDO-ZDUSSCGKSA-N 1 2 326.349 1.220 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000195238528 443000604 /nfs/dbraw/zinc/00/06/04/443000604.db2.gz VOQVGHWBQPQHMZ-UHFFFAOYSA-N 1 2 341.389 1.072 20 5 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Cn1c[nH+]cc1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356771972 446002559 /nfs/dbraw/zinc/00/25/59/446002559.db2.gz CAFBENBMOIHAPG-UHFFFAOYSA-N 1 2 327.300 1.512 20 5 EDBDLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373259813 446128810 /nfs/dbraw/zinc/12/88/10/446128810.db2.gz MYDUGWHQAMETDN-NSHDSACASA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373259813 446128811 /nfs/dbraw/zinc/12/88/11/446128811.db2.gz MYDUGWHQAMETDN-NSHDSACASA-N 1 2 333.797 1.501 20 5 EDBDLO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000370411887 446266530 /nfs/dbraw/zinc/26/65/30/446266530.db2.gz DQVPFZOMXOWYOY-UHFFFAOYSA-N 1 2 337.376 1.219 20 5 EDBDLO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000370411887 446266534 /nfs/dbraw/zinc/26/65/34/446266534.db2.gz DQVPFZOMXOWYOY-UHFFFAOYSA-N 1 2 337.376 1.219 20 5 EDBDLO CN1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000359594628 446311064 /nfs/dbraw/zinc/31/10/64/446311064.db2.gz FRLKIUZRDBYETD-GFCCVEGCSA-N 1 2 343.343 1.131 20 5 EDBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373922701 446340884 /nfs/dbraw/zinc/34/08/84/446340884.db2.gz LTUAGRNZIZULAJ-CYBMUJFWSA-N 1 2 349.347 1.493 20 5 EDBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000373922701 446340886 /nfs/dbraw/zinc/34/08/86/446340886.db2.gz LTUAGRNZIZULAJ-CYBMUJFWSA-N 1 2 349.347 1.493 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000374354843 446365039 /nfs/dbraw/zinc/36/50/39/446365039.db2.gz WCWOKXCILYDHRW-GFCCVEGCSA-N 1 2 330.344 1.723 20 5 EDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1F ZINC000376220134 446386983 /nfs/dbraw/zinc/38/69/83/446386983.db2.gz PPAFNPGKVASOHA-VXGBXAGGSA-N 1 2 337.351 1.669 20 5 EDBDLO C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452706397 446448522 /nfs/dbraw/zinc/44/85/22/446448522.db2.gz CPBOKDXVCUNQCZ-IAQYHMDHSA-N 1 2 330.344 1.766 20 5 EDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252359 450434379 /nfs/dbraw/zinc/43/43/79/450434379.db2.gz JAEPFFIGCCLDFH-OCCSQVGLSA-N 1 2 347.350 1.729 20 5 EDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H](C)O1 ZINC000446068447 447228006 /nfs/dbraw/zinc/22/80/06/447228006.db2.gz CTVLKRAUDQSOIT-AGIUHOORSA-N 1 2 333.388 1.982 20 5 EDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H](C)O1 ZINC000446068447 447228014 /nfs/dbraw/zinc/22/80/14/447228014.db2.gz CTVLKRAUDQSOIT-AGIUHOORSA-N 1 2 333.388 1.982 20 5 EDBDLO CO[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000450634222 447543653 /nfs/dbraw/zinc/54/36/53/447543653.db2.gz DQBGDCUNNSWERC-MRXNPFEDSA-N 1 2 346.343 1.316 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486969425 447826938 /nfs/dbraw/zinc/82/69/38/447826938.db2.gz QJNRSVAUPROQJK-LLVKDONJSA-N 1 2 333.348 1.777 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523442423 447888219 /nfs/dbraw/zinc/88/82/19/447888219.db2.gz GWXSEZHACMPISE-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523442423 447888223 /nfs/dbraw/zinc/88/82/23/447888223.db2.gz GWXSEZHACMPISE-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)c(C)cc1[N+](=O)[O-] ZINC000576053422 447961361 /nfs/dbraw/zinc/96/13/61/447961361.db2.gz OLHGQAXVCOHNBV-AWEZNQCLSA-N 1 2 345.396 1.534 20 5 EDBDLO CC(C)Oc1nc(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000577626515 448346347 /nfs/dbraw/zinc/34/63/47/448346347.db2.gz IRFLMDPDIAOIAI-UHFFFAOYSA-N 1 2 338.408 2.300 20 5 EDBDLO CC(C)Oc1nc(NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000577626515 448346351 /nfs/dbraw/zinc/34/63/51/448346351.db2.gz IRFLMDPDIAOIAI-UHFFFAOYSA-N 1 2 338.408 2.300 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000534275409 448435765 /nfs/dbraw/zinc/43/57/65/448435765.db2.gz DKHDGNSSXOCEDJ-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000534275409 448435767 /nfs/dbraw/zinc/43/57/67/448435767.db2.gz DKHDGNSSXOCEDJ-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000578011257 448439308 /nfs/dbraw/zinc/43/93/08/448439308.db2.gz BNJGSEJXWCIUPQ-INIZCTEOSA-N 1 2 332.360 1.054 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000578011257 448439313 /nfs/dbraw/zinc/43/93/13/448439313.db2.gz BNJGSEJXWCIUPQ-INIZCTEOSA-N 1 2 332.360 1.054 20 5 EDBDLO CNc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000584817902 448640832 /nfs/dbraw/zinc/64/08/32/448640832.db2.gz RPFXNJVEWWWCKP-UHFFFAOYSA-N 1 2 334.376 1.231 20 5 EDBDLO Cc1c[nH]c(C(C)(C)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000518990756 448730050 /nfs/dbraw/zinc/73/00/50/448730050.db2.gz QHISIELGXNMINM-UHFFFAOYSA-N 1 2 345.359 1.408 20 5 EDBDLO Cn1c2cc(NCCCCn3cc[nH+]c3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588012254 448857584 /nfs/dbraw/zinc/85/75/84/448857584.db2.gz GIXSKXISMSPTTP-UHFFFAOYSA-N 1 2 344.375 1.874 20 5 EDBDLO Cc1cc(C(=O)NCC(=O)N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000597865074 449128720 /nfs/dbraw/zinc/12/87/20/449128720.db2.gz RHRVBMQGWBZTRI-UHFFFAOYSA-N 1 2 331.332 1.015 20 5 EDBDLO Cc1cc(C(=O)NCC(=O)N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000597865074 449128725 /nfs/dbraw/zinc/12/87/25/449128725.db2.gz RHRVBMQGWBZTRI-UHFFFAOYSA-N 1 2 331.332 1.015 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590352563 449136047 /nfs/dbraw/zinc/13/60/47/449136047.db2.gz QYDNCPJQEPRTOA-CYBMUJFWSA-N 1 2 349.387 1.627 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000590075598 449104353 /nfs/dbraw/zinc/10/43/53/449104353.db2.gz VVEOQYYPOFWUDU-UHFFFAOYSA-N 1 2 331.328 1.866 20 5 EDBDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595663709 449106292 /nfs/dbraw/zinc/10/62/92/449106292.db2.gz SOTZBEUXJJWQPJ-MRXNPFEDSA-N 1 2 337.376 1.315 20 5 EDBDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595663709 449106294 /nfs/dbraw/zinc/10/62/94/449106294.db2.gz SOTZBEUXJJWQPJ-MRXNPFEDSA-N 1 2 337.376 1.315 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611083898 449163476 /nfs/dbraw/zinc/16/34/76/449163476.db2.gz LEMWVBJQOGXCQC-CYBMUJFWSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611083898 449163478 /nfs/dbraw/zinc/16/34/78/449163478.db2.gz LEMWVBJQOGXCQC-CYBMUJFWSA-N 1 2 341.433 1.926 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000590387213 449143007 /nfs/dbraw/zinc/14/30/07/449143007.db2.gz GCPGANAAVGTTPH-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000590387213 449143010 /nfs/dbraw/zinc/14/30/10/449143010.db2.gz GCPGANAAVGTTPH-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611204843 449213258 /nfs/dbraw/zinc/21/32/58/449213258.db2.gz ANRACBYHFNQLDQ-CQSZACIVSA-N 1 2 334.376 1.110 20 5 EDBDLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000611204843 449213265 /nfs/dbraw/zinc/21/32/65/449213265.db2.gz ANRACBYHFNQLDQ-CQSZACIVSA-N 1 2 334.376 1.110 20 5 EDBDLO NC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600207258 449244474 /nfs/dbraw/zinc/24/44/74/449244474.db2.gz ADTXZKCXTHGQHI-CYBMUJFWSA-N 1 2 345.355 1.931 20 5 EDBDLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600207258 449244478 /nfs/dbraw/zinc/24/44/78/449244478.db2.gz ADTXZKCXTHGQHI-CYBMUJFWSA-N 1 2 345.355 1.931 20 5 EDBDLO CN(C(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000601969116 449251874 /nfs/dbraw/zinc/25/18/74/449251874.db2.gz JFQGPOHWOZKGLQ-HNNXBMFYSA-N 1 2 348.403 1.500 20 5 EDBDLO CN(C(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000601969116 449251879 /nfs/dbraw/zinc/25/18/79/449251879.db2.gz JFQGPOHWOZKGLQ-HNNXBMFYSA-N 1 2 348.403 1.500 20 5 EDBDLO COC(=O)c1c(Cl)c(N2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980632 449261670 /nfs/dbraw/zinc/26/16/70/449261670.db2.gz YXXGNPIHGJMHRT-SECBINFHSA-N 1 2 343.767 1.148 20 5 EDBDLO COC(=O)c1c(Cl)c(N2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980632 449261673 /nfs/dbraw/zinc/26/16/73/449261673.db2.gz YXXGNPIHGJMHRT-SECBINFHSA-N 1 2 343.767 1.148 20 5 EDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC(F)(F)c2ccc(F)cc2)c1 ZINC000596064746 449343819 /nfs/dbraw/zinc/34/38/19/449343819.db2.gz IZQUWNOKHRWUMH-ZDUSSCGKSA-N 1 2 344.293 1.673 20 5 EDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107624 449356228 /nfs/dbraw/zinc/35/62/28/449356228.db2.gz NFFHLQVCJZOFAS-UTUOFQBUSA-N 1 2 339.367 1.961 20 5 EDBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107624 449356234 /nfs/dbraw/zinc/35/62/34/449356234.db2.gz NFFHLQVCJZOFAS-UTUOFQBUSA-N 1 2 339.367 1.961 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600420695 449366018 /nfs/dbraw/zinc/36/60/18/449366018.db2.gz KKIMFYDZQIRQCR-ZDUSSCGKSA-N 1 2 337.376 1.442 20 5 EDBDLO CC(C)Oc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600420695 449366023 /nfs/dbraw/zinc/36/60/23/449366023.db2.gz KKIMFYDZQIRQCR-ZDUSSCGKSA-N 1 2 337.376 1.442 20 5 EDBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600422208 449367101 /nfs/dbraw/zinc/36/71/01/449367101.db2.gz SYLXTPDMIIWJAC-GFCCVEGCSA-N 1 2 339.417 1.767 20 5 EDBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600422208 449367107 /nfs/dbraw/zinc/36/71/07/449367107.db2.gz SYLXTPDMIIWJAC-GFCCVEGCSA-N 1 2 339.417 1.767 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606280 449489409 /nfs/dbraw/zinc/48/94/09/449489409.db2.gz GVEHVJPAHNEGFY-NEPJUHHUSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606280 449489418 /nfs/dbraw/zinc/48/94/18/449489418.db2.gz GVEHVJPAHNEGFY-NEPJUHHUSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@H](O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000594415751 449503408 /nfs/dbraw/zinc/50/34/08/449503408.db2.gz RCSDJAKVWJZAFB-NSHDSACASA-N 1 2 330.344 1.766 20 5 EDBDLO CO[C@](C)(CO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594511449 449559718 /nfs/dbraw/zinc/55/97/18/449559718.db2.gz NIIJSTZVYXAYLU-ZBFHGGJFSA-N 1 2 334.376 1.405 20 5 EDBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1CO ZINC000598779929 449597361 /nfs/dbraw/zinc/59/73/61/449597361.db2.gz FQMJXRPWTKGQMA-TZMCWYRMSA-N 1 2 344.371 1.871 20 5 EDBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000598944723 449663120 /nfs/dbraw/zinc/66/31/20/449663120.db2.gz UELZBCHBEDFKGY-JTQLQIEISA-N 1 2 348.384 1.230 20 5 EDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944713 449663127 /nfs/dbraw/zinc/66/31/27/449663127.db2.gz UAYJGPHICSRKKX-NSHDSACASA-N 1 2 325.328 1.556 20 5 EDBDLO O=c1[nH]ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599183871 449784914 /nfs/dbraw/zinc/78/49/14/449784914.db2.gz CGHHAGHFJDTVMC-CYBMUJFWSA-N 1 2 345.359 1.403 20 5 EDBDLO O=c1[nH]ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599183871 449784919 /nfs/dbraw/zinc/78/49/19/449784919.db2.gz CGHHAGHFJDTVMC-CYBMUJFWSA-N 1 2 345.359 1.403 20 5 EDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000602760608 449787986 /nfs/dbraw/zinc/78/79/86/449787986.db2.gz YJWYEIGOXFPPFG-UHFFFAOYSA-N 1 2 337.424 1.680 20 5 EDBDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000601224936 449760220 /nfs/dbraw/zinc/76/02/20/449760220.db2.gz JHEPTPWWVMTWRD-LLVKDONJSA-N 1 2 326.328 1.528 20 5 EDBDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000601224936 449760228 /nfs/dbraw/zinc/76/02/28/449760228.db2.gz JHEPTPWWVMTWRD-LLVKDONJSA-N 1 2 326.328 1.528 20 5 EDBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253067 449774970 /nfs/dbraw/zinc/77/49/70/449774970.db2.gz CTHVHTCSUGMFIZ-UHFFFAOYSA-N 1 2 345.407 1.274 20 5 EDBDLO COCc1n[nH]c(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000595068446 449853699 /nfs/dbraw/zinc/85/36/99/449853699.db2.gz PDCOTGUZAFGALP-SNVBAGLBSA-N 1 2 348.363 1.366 20 5 EDBDLO COCc1nnc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000595068446 449853710 /nfs/dbraw/zinc/85/37/10/449853710.db2.gz PDCOTGUZAFGALP-SNVBAGLBSA-N 1 2 348.363 1.366 20 5 EDBDLO COCc1n[nH]c(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000595064802 449851975 /nfs/dbraw/zinc/85/19/75/449851975.db2.gz BLVLIUUVRVAWAU-JTQLQIEISA-N 1 2 348.363 1.366 20 5 EDBDLO COCc1nnc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595064802 449851984 /nfs/dbraw/zinc/85/19/84/449851984.db2.gz BLVLIUUVRVAWAU-JTQLQIEISA-N 1 2 348.363 1.366 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599563474 450062539 /nfs/dbraw/zinc/06/25/39/450062539.db2.gz HFSTUHDWYPAGMY-HNNXBMFYSA-N 1 2 334.332 1.235 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599563474 450062541 /nfs/dbraw/zinc/06/25/41/450062541.db2.gz HFSTUHDWYPAGMY-HNNXBMFYSA-N 1 2 334.332 1.235 20 5 EDBDLO C[C@@H]1C[NH+](CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374608 450087732 /nfs/dbraw/zinc/08/77/32/450087732.db2.gz HPTRFVZWKNEWCQ-RBSFLKMASA-N 1 2 349.435 1.585 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000609874853 450108104 /nfs/dbraw/zinc/10/81/04/450108104.db2.gz KYIOGRCMEMZTBE-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000609874853 450108110 /nfs/dbraw/zinc/10/81/10/450108110.db2.gz KYIOGRCMEMZTBE-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@]1(CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]1(C)CO ZINC000599627648 450114416 /nfs/dbraw/zinc/11/44/16/450114416.db2.gz YVTKJFBZGIFCTA-IYBDPMFKSA-N 1 2 334.376 1.284 20 5 EDBDLO C[C@]1(CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]1(C)CO ZINC000599627648 450114423 /nfs/dbraw/zinc/11/44/23/450114423.db2.gz YVTKJFBZGIFCTA-IYBDPMFKSA-N 1 2 334.376 1.284 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597575962 450119514 /nfs/dbraw/zinc/11/95/14/450119514.db2.gz AUKUXHVSXCIUFF-WDEREUQCSA-N 1 2 339.371 1.700 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597575962 450119518 /nfs/dbraw/zinc/11/95/18/450119518.db2.gz AUKUXHVSXCIUFF-WDEREUQCSA-N 1 2 339.371 1.700 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000599641384 450122637 /nfs/dbraw/zinc/12/26/37/450122637.db2.gz GZXHEUMWQOYCLH-DZGCQCFKSA-N 1 2 328.340 1.395 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000599641384 450122640 /nfs/dbraw/zinc/12/26/40/450122640.db2.gz GZXHEUMWQOYCLH-DZGCQCFKSA-N 1 2 328.340 1.395 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599694034 450158571 /nfs/dbraw/zinc/15/85/71/450158571.db2.gz RLWISYRIAIULCO-NSHDSACASA-N 1 2 345.396 1.495 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599694034 450158577 /nfs/dbraw/zinc/15/85/77/450158577.db2.gz RLWISYRIAIULCO-NSHDSACASA-N 1 2 345.396 1.495 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603276373 450202619 /nfs/dbraw/zinc/20/26/19/450202619.db2.gz TWSBVNJGYOLKMR-UHFFFAOYSA-N 1 2 348.384 1.506 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000595524566 450206338 /nfs/dbraw/zinc/20/63/38/450206338.db2.gz XLPHLRHEWVPSRB-LBPRGKRZSA-N 1 2 328.319 1.536 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000619788369 450334404 /nfs/dbraw/zinc/33/44/04/450334404.db2.gz PHDWZBGQJLGJHQ-CYBMUJFWSA-N 1 2 340.343 1.765 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000610662131 450288464 /nfs/dbraw/zinc/28/84/64/450288464.db2.gz LZNDENZCTXKTKW-SNVBAGLBSA-N 1 2 333.348 1.786 20 5 EDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000610662131 450288470 /nfs/dbraw/zinc/28/84/70/450288470.db2.gz LZNDENZCTXKTKW-SNVBAGLBSA-N 1 2 333.348 1.786 20 5 EDBDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cn1 ZINC000609258891 485531380 /nfs/dbraw/zinc/53/13/80/485531380.db2.gz PCGQQSHBLWESTM-UHFFFAOYSA-N 1 2 332.364 1.005 20 5 EDBDLO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cn1 ZINC000609258891 485531389 /nfs/dbraw/zinc/53/13/89/485531389.db2.gz PCGQQSHBLWESTM-UHFFFAOYSA-N 1 2 332.364 1.005 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000347631793 536145407 /nfs/dbraw/zinc/14/54/07/536145407.db2.gz QVFSGLORMGAIDP-ZDUSSCGKSA-N 1 2 337.376 1.201 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000347631793 536145411 /nfs/dbraw/zinc/14/54/11/536145411.db2.gz QVFSGLORMGAIDP-ZDUSSCGKSA-N 1 2 337.376 1.201 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081282 579536732 /nfs/dbraw/zinc/53/67/32/579536732.db2.gz GDLHZFQPFHLNRM-CQSZACIVSA-N 1 2 335.360 1.869 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081282 579536733 /nfs/dbraw/zinc/53/67/33/579536733.db2.gz GDLHZFQPFHLNRM-CQSZACIVSA-N 1 2 335.360 1.869 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000749938906 579744514 /nfs/dbraw/zinc/74/45/14/579744514.db2.gz MNGIXKYLTXAPPX-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000749938906 579744515 /nfs/dbraw/zinc/74/45/15/579744515.db2.gz MNGIXKYLTXAPPX-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO CCC(=O)N1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749948607 579744690 /nfs/dbraw/zinc/74/46/90/579744690.db2.gz KYWPCAVUKUQGLV-UHFFFAOYSA-N 1 2 346.391 1.550 20 5 EDBDLO CCC(=O)N1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749948607 579744691 /nfs/dbraw/zinc/74/46/91/579744691.db2.gz KYWPCAVUKUQGLV-UHFFFAOYSA-N 1 2 346.391 1.550 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000778037484 580455293 /nfs/dbraw/zinc/45/52/93/580455293.db2.gz CIYMYBNGUJLYNV-GHMZBOCLSA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000778037484 580455294 /nfs/dbraw/zinc/45/52/94/580455294.db2.gz CIYMYBNGUJLYNV-GHMZBOCLSA-N 1 2 345.396 1.755 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000755213128 579922878 /nfs/dbraw/zinc/92/28/78/579922878.db2.gz JXHSQSHMZRGUHY-CMPYXILNSA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000755213128 579922879 /nfs/dbraw/zinc/92/28/79/579922879.db2.gz JXHSQSHMZRGUHY-CMPYXILNSA-N 1 2 333.388 1.835 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2-n2cc[nH+]c2)n1 ZINC000756803460 579957239 /nfs/dbraw/zinc/95/72/39/579957239.db2.gz ICOSIENXYXXXMR-UHFFFAOYSA-N 1 2 341.331 1.322 20 5 EDBDLO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771034510 580277790 /nfs/dbraw/zinc/27/77/90/580277790.db2.gz QSEMWRPDDSYILF-LLVKDONJSA-N 1 2 339.779 1.795 20 5 EDBDLO Cn1cc[nH+]c1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781964569 580561828 /nfs/dbraw/zinc/56/18/28/580561828.db2.gz JTZDJDNWDSLUEH-CYBMUJFWSA-N 1 2 329.316 1.138 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782582508 580578661 /nfs/dbraw/zinc/57/86/61/580578661.db2.gz CVUDUYWWVACIPX-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782582508 580578662 /nfs/dbraw/zinc/57/86/62/580578662.db2.gz CVUDUYWWVACIPX-LBPRGKRZSA-N 1 2 334.376 1.394 20 5 EDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783779615 580606109 /nfs/dbraw/zinc/60/61/09/580606109.db2.gz CMHCWQBGAQUVNI-BLLLJJGKSA-N 1 2 328.328 1.235 20 5 EDBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c[nH+]1 ZINC000791314666 580789225 /nfs/dbraw/zinc/78/92/25/580789225.db2.gz AIQQCGGBAJDFLX-UHFFFAOYSA-N 1 2 333.323 1.707 20 5 EDBDLO Cn1c[nH+]cc1CCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000793240079 580839161 /nfs/dbraw/zinc/83/91/61/580839161.db2.gz CCBAVVUGXGFSAM-UHFFFAOYSA-N 1 2 342.311 1.982 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000793656378 580850390 /nfs/dbraw/zinc/85/03/90/580850390.db2.gz SNICURMMCIXRTH-WDNDVIMCSA-N 1 2 343.343 1.162 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000793656378 580850391 /nfs/dbraw/zinc/85/03/91/580850391.db2.gz SNICURMMCIXRTH-WDNDVIMCSA-N 1 2 343.343 1.162 20 5 EDBDLO CO[C@@]1(C)CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000794661833 580901756 /nfs/dbraw/zinc/90/17/56/580901756.db2.gz VVYCNEPUPBHHFT-INIZCTEOSA-N 1 2 333.344 1.649 20 5 EDBDLO CO[C@@]1(C)CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000794661833 580901757 /nfs/dbraw/zinc/90/17/57/580901757.db2.gz VVYCNEPUPBHHFT-INIZCTEOSA-N 1 2 333.344 1.649 20 5 EDBDLO CO[C@]1(C)CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000794661834 580901775 /nfs/dbraw/zinc/90/17/75/580901775.db2.gz VVYCNEPUPBHHFT-MRXNPFEDSA-N 1 2 333.344 1.649 20 5 EDBDLO CO[C@]1(C)CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000794661834 580901776 /nfs/dbraw/zinc/90/17/76/580901776.db2.gz VVYCNEPUPBHHFT-MRXNPFEDSA-N 1 2 333.344 1.649 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2cccnc2Cl)n1 ZINC000796564058 580956562 /nfs/dbraw/zinc/95/65/62/580956562.db2.gz CBIOJEGZNHKSIU-UHFFFAOYSA-N 1 2 325.756 1.334 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2cccnc2Cl)n1 ZINC000796564058 580956563 /nfs/dbraw/zinc/95/65/63/580956563.db2.gz CBIOJEGZNHKSIU-UHFFFAOYSA-N 1 2 325.756 1.334 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000797518973 580976897 /nfs/dbraw/zinc/97/68/97/580976897.db2.gz PUGFIVQRRFBMTQ-QHCPKHFHSA-N 1 2 341.433 1.100 20 5 EDBDLO Cc1nn(CN2CCN(c3c[nH+]ccc3C)CC2)c(C)c1[N+](=O)[O-] ZINC000799153456 581019626 /nfs/dbraw/zinc/01/96/26/581019626.db2.gz BRZYAMWSQCARLZ-UHFFFAOYSA-N 1 2 330.392 1.891 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800458514 581053282 /nfs/dbraw/zinc/05/32/82/581053282.db2.gz PHGNPNMCBPDJIK-GJZGRUSLSA-N 1 2 342.417 1.527 20 5 EDBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800458514 581053283 /nfs/dbraw/zinc/05/32/83/581053283.db2.gz PHGNPNMCBPDJIK-GJZGRUSLSA-N 1 2 342.417 1.527 20 5 EDBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 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MQHUACLSCCQXDV-GOEBONIOSA-N 1 2 335.360 1.600 20 5 EDBDLO C[C@@H]1CCOCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840040684 593405764 /nfs/dbraw/zinc/40/57/64/593405764.db2.gz OOQYDNHRRZEEEE-WBMJQRKESA-N 1 2 335.360 1.600 20 5 EDBDLO C[C@@H]1CCOCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840040684 593405766 /nfs/dbraw/zinc/40/57/66/593405766.db2.gz OOQYDNHRRZEEEE-WBMJQRKESA-N 1 2 335.360 1.600 20 5 EDBDLO Cn1cc(C[NH+]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cn1 ZINC000804437229 593414754 /nfs/dbraw/zinc/41/47/54/593414754.db2.gz ALLYYGMXPLLNOW-UHFFFAOYSA-N 1 2 346.347 1.559 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000813596225 593542810 /nfs/dbraw/zinc/54/28/10/593542810.db2.gz VNAVTHQDSWTPTJ-DEOSSOPVSA-N 1 2 348.428 1.644 20 5 EDBDLO CC(=O)N[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000817367736 593595954 /nfs/dbraw/zinc/59/59/54/593595954.db2.gz LRSFOOPJPVOERQ-HNNXBMFYSA-N 1 2 329.360 1.626 20 5 EDBDLO CC(=O)N[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000817367736 593595956 /nfs/dbraw/zinc/59/59/56/593595956.db2.gz LRSFOOPJPVOERQ-HNNXBMFYSA-N 1 2 329.360 1.626 20 5 EDBDLO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840456724 594007012 /nfs/dbraw/zinc/00/70/12/594007012.db2.gz PHUKLIHWYFRTGV-QLFBSQMISA-N 1 2 329.356 1.892 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824725989 594062497 /nfs/dbraw/zinc/06/24/97/594062497.db2.gz CJXVOTMTASBWJI-AWEZNQCLSA-N 1 2 330.287 1.583 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824725989 594062499 /nfs/dbraw/zinc/06/24/99/594062499.db2.gz CJXVOTMTASBWJI-AWEZNQCLSA-N 1 2 330.287 1.583 20 5 EDBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823627784 594222800 /nfs/dbraw/zinc/22/28/00/594222800.db2.gz PSRCADDUIBFJHF-CYBMUJFWSA-N 1 2 332.335 1.994 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)cc1-c1nn[nH]n1 ZINC000826498745 594502892 /nfs/dbraw/zinc/50/28/92/594502892.db2.gz IATYBUDXXYYLKM-UHFFFAOYSA-N 1 2 340.347 1.882 20 5 EDBDLO CN(C)c1cc(F)c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000829005687 594547568 /nfs/dbraw/zinc/54/75/68/594547568.db2.gz DSLDLQQTWHHYRW-JTQLQIEISA-N 1 2 347.350 1.741 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)n1 ZINC000829059904 594559961 /nfs/dbraw/zinc/55/99/61/594559961.db2.gz WMTRKDVHJQVJBB-LBPRGKRZSA-N 1 2 342.359 1.348 20 5 EDBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000826883204 594594553 /nfs/dbraw/zinc/59/45/53/594594553.db2.gz SBVBYUMSVLPHGX-LBPRGKRZSA-N 1 2 339.779 1.795 20 5 EDBDLO O=C(OC[C@@H]1CCNC(=O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000836025762 594911444 /nfs/dbraw/zinc/91/14/44/594911444.db2.gz CTEBVUKZCWMDSI-LLVKDONJSA-N 1 2 344.327 1.464 20 5 EDBDLO COCC[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836698597 594989288 /nfs/dbraw/zinc/98/92/88/594989288.db2.gz PLRNUHBNAPBZEB-UHFFFAOYSA-N 1 2 341.795 1.961 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000836807139 595000097 /nfs/dbraw/zinc/00/00/97/595000097.db2.gz IPXFDWSOTHWOAK-UHFFFAOYSA-N 1 2 349.322 1.839 20 5 EDBDLO COC[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000849766415 595650558 /nfs/dbraw/zinc/65/05/58/595650558.db2.gz HYXMUODGFWRGAO-LBPRGKRZSA-N 1 2 335.316 1.599 20 5 EDBDLO COC[C@@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000849794944 595658577 /nfs/dbraw/zinc/65/85/77/595658577.db2.gz WMTBVXJVXHTMDM-LBPRGKRZSA-N 1 2 335.316 1.599 20 5 EDBDLO COc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000853092407 595662594 /nfs/dbraw/zinc/66/25/94/595662594.db2.gz PXQIGCUEXAVVAY-UHFFFAOYSA-N 1 2 336.392 1.122 20 5 EDBDLO C[N@H+](C[C@@H]1COCCO1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853559180 595803533 /nfs/dbraw/zinc/80/35/33/595803533.db2.gz XNGPDKRFNBKOMD-CVEARBPZSA-N 1 2 349.387 1.215 20 5 EDBDLO C[N@@H+](C[C@@H]1COCCO1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853559180 595803537 /nfs/dbraw/zinc/80/35/37/595803537.db2.gz XNGPDKRFNBKOMD-CVEARBPZSA-N 1 2 349.387 1.215 20 5 EDBDLO Nc1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000858823566 595899488 /nfs/dbraw/zinc/89/94/88/595899488.db2.gz XXBMWEZRXFAEBX-HNNXBMFYSA-N 1 2 343.387 1.885 20 5 EDBDLO Nc1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000858823566 595899493 /nfs/dbraw/zinc/89/94/93/595899493.db2.gz XXBMWEZRXFAEBX-HNNXBMFYSA-N 1 2 343.387 1.885 20 5 EDBDLO COC(=O)N(C)CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000852570176 596200465 /nfs/dbraw/zinc/20/04/65/596200465.db2.gz OTSGTNWXPFSWCR-UHFFFAOYSA-N 1 2 349.347 1.775 20 5 EDBDLO COC(=O)N(C)CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000852570176 596200470 /nfs/dbraw/zinc/20/04/70/596200470.db2.gz OTSGTNWXPFSWCR-UHFFFAOYSA-N 1 2 349.347 1.775 20 5 EDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000859874516 596212955 /nfs/dbraw/zinc/21/29/55/596212955.db2.gz RQZPNOOQDQWLDA-QLFBSQMISA-N 1 2 340.401 1.280 20 5 EDBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000859874516 596212957 /nfs/dbraw/zinc/21/29/57/596212957.db2.gz RQZPNOOQDQWLDA-QLFBSQMISA-N 1 2 340.401 1.280 20 5 EDBDLO Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000016637884 596419498 /nfs/dbraw/zinc/41/94/98/596419498.db2.gz CUPFXNDQJVVKQH-UHFFFAOYSA-N 1 2 327.344 1.534 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000867709550 596507271 /nfs/dbraw/zinc/50/72/71/596507271.db2.gz MPACXGLCLGQAGA-LLVKDONJSA-N 1 2 331.369 1.307 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000867709550 596507274 /nfs/dbraw/zinc/50/72/74/596507274.db2.gz MPACXGLCLGQAGA-LLVKDONJSA-N 1 2 331.369 1.307 20 5 EDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865412560 596566679 /nfs/dbraw/zinc/56/66/79/596566679.db2.gz PSOULVUYMBMNCL-UHFFFAOYSA-N 1 2 342.346 1.743 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000871418072 596576186 /nfs/dbraw/zinc/57/61/86/596576186.db2.gz RWGXHBOVOMJBKA-CYBMUJFWSA-N 1 2 342.359 1.198 20 5 EDBDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000870121799 596759867 /nfs/dbraw/zinc/75/98/67/596759867.db2.gz HGJMAOCDJUWBKP-ZDUSSCGKSA-N 1 2 343.387 1.847 20 5 EDBDLO COc1ccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC000879521730 597615975 /nfs/dbraw/zinc/61/59/75/597615975.db2.gz QSXUOFPRRSXOKU-INIZCTEOSA-N 1 2 331.376 1.446 20 5 EDBDLO COc1ccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN2)cc1 ZINC000879521730 597615977 /nfs/dbraw/zinc/61/59/77/597615977.db2.gz QSXUOFPRRSXOKU-INIZCTEOSA-N 1 2 331.376 1.446 20 5 EDBDLO CC[NH+](CC)Cc1csc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000917630808 697055375 /nfs/dbraw/zinc/05/53/75/697055375.db2.gz IGSVXPGABDVWBR-UHFFFAOYSA-N 1 2 338.393 1.728 20 5 EDBDLO O=C(NCC1C[NH+](Cc2cccc(F)c2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661930 697436661 /nfs/dbraw/zinc/43/66/61/697436661.db2.gz NEYXGVPBEUMCGB-DGCLKSJQSA-N 1 2 325.315 1.178 20 5 EDBDLO O=C(Cc1cc[nH]n1)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002504026 709044416 /nfs/dbraw/zinc/04/44/16/709044416.db2.gz GOBVTFCHZSDUPW-UHFFFAOYSA-N 1 2 349.416 1.703 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C2CC3(CC3)C2)CC1 ZINC001003597710 710434405 /nfs/dbraw/zinc/43/44/05/710434405.db2.gz CIWLSCTWXLHTNX-UHFFFAOYSA-N 1 2 347.419 1.599 20 5 EDBDLO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1nnc[nH]1 ZINC001003811421 710576830 /nfs/dbraw/zinc/57/68/30/710576830.db2.gz WNJUXMDQLWCNSP-UHFFFAOYSA-N 1 2 330.348 1.107 20 5 EDBDLO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ncn[nH]1 ZINC001003811421 710576832 /nfs/dbraw/zinc/57/68/32/710576832.db2.gz WNJUXMDQLWCNSP-UHFFFAOYSA-N 1 2 330.348 1.107 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412379115 304003822 /nfs/dbraw/zinc/00/38/22/304003822.db2.gz NPIJEFHHDIZBIM-VVLHAWIVSA-N 1 2 345.399 1.678 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412379115 304003823 /nfs/dbraw/zinc/00/38/23/304003823.db2.gz NPIJEFHHDIZBIM-VVLHAWIVSA-N 1 2 345.399 1.678 20 5 EDBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000183624333 304010788 /nfs/dbraw/zinc/01/07/88/304010788.db2.gz IGQZPFMNBKLMBE-LBPRGKRZSA-N 1 2 335.364 1.318 20 5 EDBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000184355798 235375102 /nfs/dbraw/zinc/37/51/02/235375102.db2.gz FSJKEAJNCRBFLX-LBPRGKRZSA-N 1 2 349.416 1.758 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)cs1 ZINC000084867759 138270207 /nfs/dbraw/zinc/27/02/07/138270207.db2.gz BYYWWJKCKWZKGT-VIFPVBQESA-N 1 2 328.312 1.764 20 5 EDBDLO O=[N+]([O-])c1cc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)cs1 ZINC000084867759 138270208 /nfs/dbraw/zinc/27/02/08/138270208.db2.gz BYYWWJKCKWZKGT-VIFPVBQESA-N 1 2 328.312 1.764 20 5 EDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055017322 201133412 /nfs/dbraw/zinc/13/34/12/201133412.db2.gz QCJZRWDFSNVBTC-GFCCVEGCSA-N 1 2 331.332 1.355 20 5 EDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055017322 201133416 /nfs/dbraw/zinc/13/34/16/201133416.db2.gz QCJZRWDFSNVBTC-GFCCVEGCSA-N 1 2 331.332 1.355 20 5 EDBDLO CS(=O)(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280274890 201323355 /nfs/dbraw/zinc/32/33/55/201323355.db2.gz PEXXMSVJWVHTFY-UHFFFAOYSA-N 1 2 325.390 1.672 20 5 EDBDLO CS(=O)(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280274890 201323359 /nfs/dbraw/zinc/32/33/59/201323359.db2.gz PEXXMSVJWVHTFY-UHFFFAOYSA-N 1 2 325.390 1.672 20 5 EDBDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157598188 206145001 /nfs/dbraw/zinc/14/50/01/206145001.db2.gz SVZOOESTIUYQSJ-LBPRGKRZSA-N 1 2 336.392 1.626 20 5 EDBDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157598188 206145007 /nfs/dbraw/zinc/14/50/07/206145007.db2.gz SVZOOESTIUYQSJ-LBPRGKRZSA-N 1 2 336.392 1.626 20 5 EDBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000174875053 207067025 /nfs/dbraw/zinc/06/70/25/207067025.db2.gz SVUVDMJACVWQRB-GFCCVEGCSA-N 1 2 339.396 1.733 20 5 EDBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C(=O)OC(C)(C)C ZINC000174875053 207067029 /nfs/dbraw/zinc/06/70/29/207067029.db2.gz SVUVDMJACVWQRB-GFCCVEGCSA-N 1 2 339.396 1.733 20 5 EDBDLO C[C@H](c1cccnc1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246167 207206612 /nfs/dbraw/zinc/20/66/12/207206612.db2.gz OUWNFIRPKPKFNQ-CQSZACIVSA-N 1 2 330.392 1.565 20 5 EDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487458457 255030557 /nfs/dbraw/zinc/03/05/57/255030557.db2.gz BEAHUQQCSVPHJY-VIFPVBQESA-N 1 2 336.298 1.743 20 5 EDBDLO C[C@@H]1[C@H](CO)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488749241 255052137 /nfs/dbraw/zinc/05/21/37/255052137.db2.gz QZMYEXKYFXAXJN-NEPJUHHUSA-N 1 2 328.390 1.071 20 5 EDBDLO C[C@@H]1[C@H](CO)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488749241 255052139 /nfs/dbraw/zinc/05/21/39/255052139.db2.gz QZMYEXKYFXAXJN-NEPJUHHUSA-N 1 2 328.390 1.071 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000491867668 255153539 /nfs/dbraw/zinc/15/35/39/255153539.db2.gz JLQZDTUAYQDIBX-VIFPVBQESA-N 1 2 342.402 1.455 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000495206025 255272961 /nfs/dbraw/zinc/27/29/61/255272961.db2.gz HXNMPOPSWFFLSJ-GFCCVEGCSA-N 1 2 339.396 1.998 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000495206025 255272962 /nfs/dbraw/zinc/27/29/62/255272962.db2.gz HXNMPOPSWFFLSJ-GFCCVEGCSA-N 1 2 339.396 1.998 20 5 EDBDLO CN(CC[NH+]1CCOCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263873060 139366280 /nfs/dbraw/zinc/36/62/80/139366280.db2.gz MYTSWXZHMCXSSF-UHFFFAOYSA-N 1 2 339.417 1.478 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000494820688 255262297 /nfs/dbraw/zinc/26/22/97/255262297.db2.gz DTDUNWAUPPHPDE-ZJUUUORDSA-N 1 2 348.363 1.410 20 5 EDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000347336536 533406983 /nfs/dbraw/zinc/40/69/83/533406983.db2.gz AQOWXUWGZPUHBQ-JWAFFJSPSA-N 1 2 333.388 1.523 20 5 EDBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000268945142 139857613 /nfs/dbraw/zinc/85/76/13/139857613.db2.gz BDCZIAJKHGNHOU-KBPBESRZSA-N 1 2 337.401 1.740 20 5 EDBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000268945142 139857614 /nfs/dbraw/zinc/85/76/14/139857614.db2.gz BDCZIAJKHGNHOU-KBPBESRZSA-N 1 2 337.401 1.740 20 5 EDBDLO O=C1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000271504630 140304467 /nfs/dbraw/zinc/30/44/67/140304467.db2.gz XWFFSKWFPZSNDU-UHFFFAOYSA-N 1 2 329.360 1.377 20 5 EDBDLO O=C1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000271504630 140304469 /nfs/dbraw/zinc/30/44/69/140304469.db2.gz XWFFSKWFPZSNDU-UHFFFAOYSA-N 1 2 329.360 1.377 20 5 EDBDLO CC1CC[NH+](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000340114828 142269987 /nfs/dbraw/zinc/26/99/87/142269987.db2.gz QYOLILRZKGOWSS-UHFFFAOYSA-N 1 2 331.376 1.933 20 5 EDBDLO CC(C)[C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345777293 143132426 /nfs/dbraw/zinc/13/24/26/143132426.db2.gz AWSBJHVZXUJVLX-CYBMUJFWSA-N 1 2 332.360 1.775 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000347209063 143295113 /nfs/dbraw/zinc/29/51/13/143295113.db2.gz DWRRIMXFCUCXKN-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000347209063 143295114 /nfs/dbraw/zinc/29/51/14/143295114.db2.gz DWRRIMXFCUCXKN-UHFFFAOYSA-N 1 2 327.406 1.618 20 5 EDBDLO CCS(=O)(=O)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347265166 143301733 /nfs/dbraw/zinc/30/17/33/143301733.db2.gz BCMBPBVSOWFHME-ZDUSSCGKSA-N 1 2 341.433 1.493 20 5 EDBDLO CCS(=O)(=O)N1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347265166 143301734 /nfs/dbraw/zinc/30/17/34/143301734.db2.gz BCMBPBVSOWFHME-ZDUSSCGKSA-N 1 2 341.433 1.493 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COCc1ccco1)CCO2 ZINC000352621647 149089689 /nfs/dbraw/zinc/08/96/89/149089689.db2.gz SGUGKEWKUVMYCB-OAHLLOKOSA-N 1 2 348.355 1.960 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COCc1ccco1)CCO2 ZINC000352621647 149089693 /nfs/dbraw/zinc/08/96/93/149089693.db2.gz SGUGKEWKUVMYCB-OAHLLOKOSA-N 1 2 348.355 1.960 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCO2 ZINC000352710372 149125207 /nfs/dbraw/zinc/12/52/07/149125207.db2.gz REANAUZGPLRARD-IYBDPMFKSA-N 1 2 333.388 1.652 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CCO2 ZINC000352710372 149125208 /nfs/dbraw/zinc/12/52/08/149125208.db2.gz REANAUZGPLRARD-IYBDPMFKSA-N 1 2 333.388 1.652 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCN1C[C@H]3CC[C@@H](C1)O3)CCO2 ZINC000352710372 149125210 /nfs/dbraw/zinc/12/52/10/149125210.db2.gz REANAUZGPLRARD-IYBDPMFKSA-N 1 2 333.388 1.652 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCN1C[C@H]3CC[C@@H](C1)O3)CCO2 ZINC000352710372 149125211 /nfs/dbraw/zinc/12/52/11/149125211.db2.gz REANAUZGPLRARD-IYBDPMFKSA-N 1 2 333.388 1.652 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000353390421 149388651 /nfs/dbraw/zinc/38/86/51/149388651.db2.gz UQYVNSXOMZCFAJ-HZPDHXFCSA-N 1 2 347.415 1.804 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000353390421 149388654 /nfs/dbraw/zinc/38/86/54/149388654.db2.gz UQYVNSXOMZCFAJ-HZPDHXFCSA-N 1 2 347.415 1.804 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353401509 149391988 /nfs/dbraw/zinc/39/19/88/149391988.db2.gz INAATJUGUAAILZ-SWLSCSKDSA-N 1 2 329.360 1.238 20 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ZINC000354900862 150020669 /nfs/dbraw/zinc/02/06/69/150020669.db2.gz MZXFXYAULKTTJE-GFCCVEGCSA-N 1 2 335.360 1.210 20 5 EDBDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccc([N+](=O)[O-])nc1 ZINC000357658803 151105820 /nfs/dbraw/zinc/10/58/20/151105820.db2.gz HWWRKDKZEFOCLN-UKRRQHHQSA-N 1 2 348.382 1.772 20 5 EDBDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccc([N+](=O)[O-])nc1 ZINC000357658803 151105823 /nfs/dbraw/zinc/10/58/23/151105823.db2.gz HWWRKDKZEFOCLN-UKRRQHHQSA-N 1 2 348.382 1.772 20 5 EDBDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000358166157 151293227 /nfs/dbraw/zinc/29/32/27/151293227.db2.gz KQUWDEHUODVUEP-UHFFFAOYSA-N 1 2 344.375 1.678 20 5 EDBDLO CCOc1cc(OC[C@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000358228560 151312662 /nfs/dbraw/zinc/31/26/62/151312662.db2.gz VUXVLOZBBQNMRF-GFCCVEGCSA-N 1 2 326.349 1.065 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358471313 151388126 /nfs/dbraw/zinc/38/81/26/151388126.db2.gz QIXXDBXBXKTQQG-UHFFFAOYSA-N 1 2 331.376 1.644 20 5 EDBDLO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000360407016 152024867 /nfs/dbraw/zinc/02/48/67/152024867.db2.gz MTJSTADDQBBSTQ-NSHDSACASA-N 1 2 338.364 1.446 20 5 EDBDLO CNc1c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000361219750 152339752 /nfs/dbraw/zinc/33/97/52/152339752.db2.gz GTVHJHRSZSIOCN-SWLSCSKDSA-N 1 2 348.403 1.429 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364363773 153217378 /nfs/dbraw/zinc/21/73/78/153217378.db2.gz OUGMNYUNOCHVPI-CQDKDKBSSA-N 1 2 331.372 1.857 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364363773 153217381 /nfs/dbraw/zinc/21/73/81/153217381.db2.gz OUGMNYUNOCHVPI-CQDKDKBSSA-N 1 2 331.372 1.857 20 5 EDBDLO CCn1cnnc1[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000364672773 153300658 /nfs/dbraw/zinc/30/06/58/153300658.db2.gz LHBPDEVVFJQHID-HUUCEWRRSA-N 1 2 347.375 1.313 20 5 EDBDLO CCn1cnnc1[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000364672773 153300661 /nfs/dbraw/zinc/30/06/61/153300661.db2.gz LHBPDEVVFJQHID-HUUCEWRRSA-N 1 2 347.375 1.313 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCO[C@H]3CCOC[C@@H]32)c([N+](=O)[O-])c1 ZINC000367820771 154284561 /nfs/dbraw/zinc/28/45/61/154284561.db2.gz DPEGZEHFDWLVNH-HOCLYGCPSA-N 1 2 338.360 1.472 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCO[C@H]3CCOC[C@@H]32)c([N+](=O)[O-])c1 ZINC000367820771 154284563 /nfs/dbraw/zinc/28/45/63/154284563.db2.gz DPEGZEHFDWLVNH-HOCLYGCPSA-N 1 2 338.360 1.472 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000372387158 156365333 /nfs/dbraw/zinc/36/53/33/156365333.db2.gz ZQGPAOZFHXQALY-UHFFFAOYSA-N 1 2 343.405 1.246 20 5 EDBDLO Cc1cc(C2=CC[N@H+](Cc3cnn(C)n3)CC2)cc([N+](=O)[O-])c1N ZINC000377822035 158000487 /nfs/dbraw/zinc/00/04/87/158000487.db2.gz VADAMOBAJNJLJA-UHFFFAOYSA-N 1 2 328.376 1.903 20 5 EDBDLO Cc1cc(C2=CC[N@@H+](Cc3cnn(C)n3)CC2)cc([N+](=O)[O-])c1N ZINC000377822035 158000490 /nfs/dbraw/zinc/00/04/90/158000490.db2.gz VADAMOBAJNJLJA-UHFFFAOYSA-N 1 2 328.376 1.903 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407970 162168770 /nfs/dbraw/zinc/16/87/70/162168770.db2.gz WXJCKIPTSVRNGU-NSHDSACASA-N 1 2 330.406 1.858 20 5 EDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407970 162168772 /nfs/dbraw/zinc/16/87/72/162168772.db2.gz WXJCKIPTSVRNGU-NSHDSACASA-N 1 2 330.406 1.858 20 5 EDBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000352525610 162230759 /nfs/dbraw/zinc/23/07/59/162230759.db2.gz HNMJJVAYHSQICS-GFCCVEGCSA-N 1 2 328.390 1.612 20 5 EDBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000352525610 162230762 /nfs/dbraw/zinc/23/07/62/162230762.db2.gz HNMJJVAYHSQICS-GFCCVEGCSA-N 1 2 328.390 1.612 20 5 EDBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451935184 287190868 /nfs/dbraw/zinc/19/08/68/287190868.db2.gz RAUBYMNRQTVPRW-GFCCVEGCSA-N 1 2 327.406 1.700 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451935184 287190870 /nfs/dbraw/zinc/19/08/70/287190870.db2.gz RAUBYMNRQTVPRW-GFCCVEGCSA-N 1 2 327.406 1.700 20 5 EDBDLO Cc1sc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000122677784 222136159 /nfs/dbraw/zinc/13/61/59/222136159.db2.gz DURJQWLQYXIACM-UHFFFAOYSA-N 1 2 330.391 1.530 20 5 EDBDLO Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1=O ZINC000194394792 267858776 /nfs/dbraw/zinc/85/87/76/267858776.db2.gz GMMOIMPIJCKADP-UHFFFAOYSA-N 1 2 339.311 1.732 20 5 EDBDLO COc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000274454561 273091635 /nfs/dbraw/zinc/09/16/35/273091635.db2.gz TUFVXPWGFGOUMR-INIZCTEOSA-N 1 2 338.360 1.603 20 5 EDBDLO COc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000274454561 273091636 /nfs/dbraw/zinc/09/16/36/273091636.db2.gz TUFVXPWGFGOUMR-INIZCTEOSA-N 1 2 338.360 1.603 20 5 EDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CC1 ZINC000277644609 273213986 /nfs/dbraw/zinc/21/39/86/273213986.db2.gz XWOKGZNZUVJMMJ-UHFFFAOYSA-N 1 2 348.403 1.301 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000277648067 273214418 /nfs/dbraw/zinc/21/44/18/273214418.db2.gz UQUAVXKQGWRBMR-WFASDCNBSA-N 1 2 349.387 1.396 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000284821091 274346034 /nfs/dbraw/zinc/34/60/34/274346034.db2.gz UVZWAGATGXFCLU-KBPBESRZSA-N 1 2 334.376 1.031 20 5 EDBDLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000284821091 274346035 /nfs/dbraw/zinc/34/60/35/274346035.db2.gz UVZWAGATGXFCLU-KBPBESRZSA-N 1 2 334.376 1.031 20 5 EDBDLO CCOc1cc(CN2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872332 274367493 /nfs/dbraw/zinc/36/74/93/274367493.db2.gz SOFKAAAHZRORQV-HZPDHXFCSA-N 1 2 335.404 1.898 20 5 EDBDLO CCOc1cc(CN2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284872332 274367496 /nfs/dbraw/zinc/36/74/96/274367496.db2.gz SOFKAAAHZRORQV-HZPDHXFCSA-N 1 2 335.404 1.898 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263789283 276616876 /nfs/dbraw/zinc/61/68/76/276616876.db2.gz XNMOLVIDUHVZHG-AWEZNQCLSA-N 1 2 334.420 1.940 20 5 EDBDLO CN1C(=O)N[C@]2(CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1=O ZINC000266917343 277018994 /nfs/dbraw/zinc/01/89/94/277018994.db2.gz NQCVHWVQKZRLNX-AWEZNQCLSA-N 1 2 338.751 1.374 20 5 EDBDLO CN1C(=O)N[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)C1=O ZINC000266917343 277018995 /nfs/dbraw/zinc/01/89/95/277018995.db2.gz NQCVHWVQKZRLNX-AWEZNQCLSA-N 1 2 338.751 1.374 20 5 EDBDLO COc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c([N+](=O)[O-])cc1F ZINC000125810616 277826136 /nfs/dbraw/zinc/82/61/36/277826136.db2.gz ADBXUTBJFPAWGV-UHFFFAOYSA-N 1 2 349.366 1.798 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000338664580 277937923 /nfs/dbraw/zinc/93/79/23/277937923.db2.gz BNMVQQRJGHZAKF-UHFFFAOYSA-N 1 2 331.376 1.659 20 5 EDBDLO CC[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286447134 288008057 /nfs/dbraw/zinc/00/80/57/288008057.db2.gz TUVVCSPPLOVMKX-LLVKDONJSA-N 1 2 327.406 1.529 20 5 EDBDLO CC[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286447134 288008058 /nfs/dbraw/zinc/00/80/58/288008058.db2.gz TUVVCSPPLOVMKX-LLVKDONJSA-N 1 2 327.406 1.529 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286561446 288034846 /nfs/dbraw/zinc/03/48/46/288034846.db2.gz VLEDGRYEDPRDCG-UHFFFAOYSA-N 1 2 342.346 1.255 20 5 EDBDLO CCOC1CC([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000286923469 288119171 /nfs/dbraw/zinc/11/91/71/288119171.db2.gz KPUKMMYSLSDSRK-UHFFFAOYSA-N 1 2 342.417 1.868 20 5 EDBDLO CCOC1CC([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000286923469 288119172 /nfs/dbraw/zinc/11/91/72/288119172.db2.gz KPUKMMYSLSDSRK-UHFFFAOYSA-N 1 2 342.417 1.868 20 5 EDBDLO CCS(=O)(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000347301917 280014891 /nfs/dbraw/zinc/01/48/91/280014891.db2.gz DUOXNCXGHXGHPK-GFCCVEGCSA-N 1 2 341.433 1.759 20 5 EDBDLO CCS(=O)(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000347301917 280014892 /nfs/dbraw/zinc/01/48/92/280014892.db2.gz DUOXNCXGHXGHPK-GFCCVEGCSA-N 1 2 341.433 1.759 20 5 EDBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nccc(C(N)=O)c1[N+](=O)[O-])C2 ZINC000290614597 288925397 /nfs/dbraw/zinc/92/53/97/288925397.db2.gz KSNSLMBRFGQYMZ-UHFFFAOYSA-N 1 2 344.375 1.508 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000355070925 297126175 /nfs/dbraw/zinc/12/61/75/297126175.db2.gz NIAOCMHYIWUJLZ-GFCCVEGCSA-N 1 2 339.417 1.524 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000355070925 297126178 /nfs/dbraw/zinc/12/61/78/297126178.db2.gz NIAOCMHYIWUJLZ-GFCCVEGCSA-N 1 2 339.417 1.524 20 5 EDBDLO C[C@@H](O)CNc1cc(NCCNc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000294518362 303118847 /nfs/dbraw/zinc/11/88/47/303118847.db2.gz UKFKQQGMNQWRHT-LLVKDONJSA-N 1 2 332.364 1.702 20 5 EDBDLO C[C@@H](O)CNc1cc(NCCNc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000294518362 303118849 /nfs/dbraw/zinc/11/88/49/303118849.db2.gz UKFKQQGMNQWRHT-LLVKDONJSA-N 1 2 332.364 1.702 20 5 EDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299159721 303589863 /nfs/dbraw/zinc/58/98/63/303589863.db2.gz QGZFIFNTBJVWOI-UHFFFAOYSA-N 1 2 338.383 1.724 20 5 EDBDLO COCc1cc([N+](=O)[O-])ccc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000301444722 303678748 /nfs/dbraw/zinc/67/87/48/303678748.db2.gz OYYGGKKEQRFMPZ-UHFFFAOYSA-N 1 2 345.403 1.797 20 5 EDBDLO C[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301831665 303698324 /nfs/dbraw/zinc/69/83/24/303698324.db2.gz QSULNPZLDHFLFB-JTQLQIEISA-N 1 2 344.209 1.860 20 5 EDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000428363822 305009556 /nfs/dbraw/zinc/00/95/56/305009556.db2.gz MFLIITKBHRNQFF-SECBINFHSA-N 1 2 326.316 1.412 20 5 EDBDLO COc1cccc(C(=O)NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000435970188 305150421 /nfs/dbraw/zinc/15/04/21/305150421.db2.gz GBIIKAUNUVDPDA-UHFFFAOYSA-N 1 2 335.360 1.198 20 5 EDBDLO O=C1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])N1 ZINC000447807907 305286001 /nfs/dbraw/zinc/28/60/01/305286001.db2.gz UUXMBOUELDBQCI-AWEZNQCLSA-N 1 2 348.403 1.508 20 5 EDBDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448913042 305303928 /nfs/dbraw/zinc/30/39/28/305303928.db2.gz RTDWXHHMBJTCFC-SNVBAGLBSA-N 1 2 341.339 1.193 20 5 EDBDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448913042 305303929 /nfs/dbraw/zinc/30/39/29/305303929.db2.gz RTDWXHHMBJTCFC-SNVBAGLBSA-N 1 2 341.339 1.193 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+](C2CC2)C2COC2)cc1[N+](=O)[O-] ZINC000449350675 305312303 /nfs/dbraw/zinc/31/23/03/305312303.db2.gz LDOQCDGHAYEESE-UHFFFAOYSA-N 1 2 336.344 1.510 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+](C2CC2)C2COC2)cc1[N+](=O)[O-] ZINC000449350675 305312304 /nfs/dbraw/zinc/31/23/04/305312304.db2.gz LDOQCDGHAYEESE-UHFFFAOYSA-N 1 2 336.344 1.510 20 5 EDBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000450825350 305331432 /nfs/dbraw/zinc/33/14/32/305331432.db2.gz FGGSARSWCRHQPY-SECBINFHSA-N 1 2 339.377 1.632 20 5 EDBDLO COCC(COC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456256279 305457528 /nfs/dbraw/zinc/45/75/28/305457528.db2.gz NAENXWVZECLASG-UHFFFAOYSA-N 1 2 334.332 1.172 20 5 EDBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000493678580 447364626 /nfs/dbraw/zinc/36/46/26/447364626.db2.gz HFWARDPAPAQJBR-RXNFCKPNSA-N 1 2 325.315 1.969 20 5 EDBDLO C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546103171 306090602 /nfs/dbraw/zinc/09/06/02/306090602.db2.gz GSGMKKUMKKYMQO-HNNXBMFYSA-N 1 2 337.332 1.109 20 5 EDBDLO C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546103171 306090603 /nfs/dbraw/zinc/09/06/03/306090603.db2.gz GSGMKKUMKKYMQO-HNNXBMFYSA-N 1 2 337.332 1.109 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000553052062 306182271 /nfs/dbraw/zinc/18/22/71/306182271.db2.gz GVDJTUGOTBTYGA-GFCCVEGCSA-N 1 2 337.376 1.822 20 5 EDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000553052062 306182272 /nfs/dbraw/zinc/18/22/72/306182272.db2.gz GVDJTUGOTBTYGA-GFCCVEGCSA-N 1 2 337.376 1.822 20 5 EDBDLO O=C1OCC[C@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CCN12 ZINC000494024597 447422596 /nfs/dbraw/zinc/42/25/96/447422596.db2.gz SCBGJIARCQMNIN-ZDUSSCGKSA-N 1 2 331.332 1.429 20 5 EDBDLO O=C1OCC[C@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CCN12 ZINC000494024597 447422602 /nfs/dbraw/zinc/42/26/02/447422602.db2.gz SCBGJIARCQMNIN-ZDUSSCGKSA-N 1 2 331.332 1.429 20 5 EDBDLO COC(=O)C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000007637046 441060391 /nfs/dbraw/zinc/06/03/91/441060391.db2.gz XHNBOJJOIUTYAB-UHFFFAOYSA-N 1 2 335.360 1.727 20 5 EDBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483887 441379417 /nfs/dbraw/zinc/37/94/17/441379417.db2.gz YPRNBXNFCRSKQA-ZDUSSCGKSA-N 1 2 347.419 1.559 20 5 EDBDLO CC(=O)NC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000050990515 441394440 /nfs/dbraw/zinc/39/44/40/441394440.db2.gz LXXHKKJGBPITCR-UHFFFAOYSA-N 1 2 345.359 1.745 20 5 EDBDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050993299 441395214 /nfs/dbraw/zinc/39/52/14/441395214.db2.gz DNSJEJMMPXUBJS-NSHDSACASA-N 1 2 334.376 1.522 20 5 EDBDLO COCC[NH+](CCOC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026227843 441371346 /nfs/dbraw/zinc/37/13/46/441371346.db2.gz RDWIHESNIRTPOB-UHFFFAOYSA-N 1 2 341.364 1.137 20 5 EDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCNc1cccc[nH+]1 ZINC000052722567 441471996 /nfs/dbraw/zinc/47/19/96/441471996.db2.gz QVFYDAXOVBDRAD-UHFFFAOYSA-N 1 2 337.361 1.161 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000052749964 441473337 /nfs/dbraw/zinc/47/33/37/441473337.db2.gz HYNIGRXLCDJVCF-LBPRGKRZSA-N 1 2 340.343 1.796 20 5 EDBDLO CCN(CC)c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000065781430 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O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417941971 446393744 /nfs/dbraw/zinc/39/37/44/446393744.db2.gz NTBYZOIHFKBSEP-GFCCVEGCSA-N 1 2 342.346 1.681 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000411408643 446525844 /nfs/dbraw/zinc/52/58/44/446525844.db2.gz QILUWPWBDJOXOZ-LBPRGKRZSA-N 1 2 334.376 1.313 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000411408643 446525848 /nfs/dbraw/zinc/52/58/48/446525848.db2.gz QILUWPWBDJOXOZ-LBPRGKRZSA-N 1 2 334.376 1.313 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000375238314 446662484 /nfs/dbraw/zinc/66/24/84/446662484.db2.gz CQIHHRCNBMNMBD-TZMCWYRMSA-N 1 2 349.387 1.665 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000375238314 446662489 /nfs/dbraw/zinc/66/24/89/446662489.db2.gz CQIHHRCNBMNMBD-TZMCWYRMSA-N 1 2 349.387 1.665 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@]12CCOC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000375279258 446690275 /nfs/dbraw/zinc/69/02/75/446690275.db2.gz NLZUODKLLHTBKN-MRXNPFEDSA-N 1 2 349.343 1.517 20 5 EDBDLO O=C(C[N@H+]1CCC[C@]12CCOC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000375279258 446690277 /nfs/dbraw/zinc/69/02/77/446690277.db2.gz NLZUODKLLHTBKN-MRXNPFEDSA-N 1 2 349.343 1.517 20 5 EDBDLO CN(C[C@H]1CCC[N@@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628021 446708874 /nfs/dbraw/zinc/70/88/74/446708874.db2.gz AECUPAYDMFWGIB-SECBINFHSA-N 1 2 333.435 1.590 20 5 EDBDLO CN(C[C@H]1CCC[N@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628021 446708879 /nfs/dbraw/zinc/70/88/79/446708879.db2.gz AECUPAYDMFWGIB-SECBINFHSA-N 1 2 333.435 1.590 20 5 EDBDLO COc1cccc(N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1[N+](=O)[O-] ZINC000368436116 446862364 /nfs/dbraw/zinc/86/23/64/446862364.db2.gz PKJQTZFVRGCWHA-UHFFFAOYSA-N 1 2 348.403 1.346 20 5 EDBDLO COc1cccc(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1[N+](=O)[O-] ZINC000368436116 446862371 /nfs/dbraw/zinc/86/23/71/446862371.db2.gz PKJQTZFVRGCWHA-UHFFFAOYSA-N 1 2 348.403 1.346 20 5 EDBDLO C[C@H](O)CNc1cc(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000413034872 446989447 /nfs/dbraw/zinc/98/94/47/446989447.db2.gz OKFYWNBGZUUZGZ-NSHDSACASA-N 1 2 332.364 1.702 20 5 EDBDLO C[C@H](O)CNc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000413034872 446989454 /nfs/dbraw/zinc/98/94/54/446989454.db2.gz OKFYWNBGZUUZGZ-NSHDSACASA-N 1 2 332.364 1.702 20 5 EDBDLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019397 447267059 /nfs/dbraw/zinc/26/70/59/447267059.db2.gz XTNLRJRJTWLFEA-UKRRQHHQSA-N 1 2 347.350 1.794 20 5 EDBDLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019397 447267062 /nfs/dbraw/zinc/26/70/62/447267062.db2.gz XTNLRJRJTWLFEA-UKRRQHHQSA-N 1 2 347.350 1.794 20 5 EDBDLO C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000422000517 447302560 /nfs/dbraw/zinc/30/25/60/447302560.db2.gz DLVTXIDTOPGPJS-YPMHNXCESA-N 1 2 330.344 1.766 20 5 EDBDLO COCc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000459350199 447642429 /nfs/dbraw/zinc/64/24/29/447642429.db2.gz SLLCVRDJRMSRSX-NSHDSACASA-N 1 2 333.348 1.811 20 5 EDBDLO COCc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000459350199 447642435 /nfs/dbraw/zinc/64/24/35/447642435.db2.gz SLLCVRDJRMSRSX-NSHDSACASA-N 1 2 333.348 1.811 20 5 EDBDLO Cn1c[nH+]c(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000459164470 447602449 /nfs/dbraw/zinc/60/24/49/447602449.db2.gz CAPKFNXFQVNKSI-UHFFFAOYSA-N 1 2 329.360 1.639 20 5 EDBDLO COc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000487692245 447836377 /nfs/dbraw/zinc/83/63/77/447836377.db2.gz SAVQTRMOZUEDOJ-LBPRGKRZSA-N 1 2 345.359 1.614 20 5 EDBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000552536395 447953450 /nfs/dbraw/zinc/95/34/50/447953450.db2.gz DFGJYJIYADNWNT-QMMMGPOBSA-N 1 2 330.300 1.334 20 5 EDBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000552536395 447953462 /nfs/dbraw/zinc/95/34/62/447953462.db2.gz DFGJYJIYADNWNT-QMMMGPOBSA-N 1 2 330.300 1.334 20 5 EDBDLO Cc1nn(C[N@H+](C)CCNC(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000497261938 448016056 /nfs/dbraw/zinc/01/60/56/448016056.db2.gz OJORUHNIWNWOKS-UHFFFAOYSA-N 1 2 327.385 1.822 20 5 EDBDLO Cc1nn(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000497261938 448016060 /nfs/dbraw/zinc/01/60/60/448016060.db2.gz OJORUHNIWNWOKS-UHFFFAOYSA-N 1 2 327.385 1.822 20 5 EDBDLO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515671538 448342639 /nfs/dbraw/zinc/34/26/39/448342639.db2.gz MQKLEWZIJOCYKG-CYBMUJFWSA-N 1 2 341.433 1.994 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000584538040 448563259 /nfs/dbraw/zinc/56/32/59/448563259.db2.gz DMTVOXPQJQRPAR-MRXNPFEDSA-N 1 2 335.404 1.900 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592201056 448737241 /nfs/dbraw/zinc/73/72/41/448737241.db2.gz UMJRFFQNJDADCW-JSGCOSHPSA-N 1 2 338.360 1.349 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592201056 448737244 /nfs/dbraw/zinc/73/72/44/448737244.db2.gz UMJRFFQNJDADCW-JSGCOSHPSA-N 1 2 338.360 1.349 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(F)c1 ZINC000543728318 448745844 /nfs/dbraw/zinc/74/58/44/448745844.db2.gz LXPMPHYSPMKSPQ-UHFFFAOYSA-N 1 2 342.352 1.689 20 5 EDBDLO CN1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1=O ZINC000595790075 449166523 /nfs/dbraw/zinc/16/65/23/449166523.db2.gz ZUELMHYOSOYHGX-UHFFFAOYSA-N 1 2 331.332 1.309 20 5 EDBDLO CN1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1=O ZINC000595790075 449166528 /nfs/dbraw/zinc/16/65/28/449166528.db2.gz ZUELMHYOSOYHGX-UHFFFAOYSA-N 1 2 331.332 1.309 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595744229 449143129 /nfs/dbraw/zinc/14/31/29/449143129.db2.gz USPLSXUNKIEICK-LLVKDONJSA-N 1 2 343.767 1.534 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595744229 449143132 /nfs/dbraw/zinc/14/31/32/449143132.db2.gz USPLSXUNKIEICK-LLVKDONJSA-N 1 2 343.767 1.534 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597999873 449185625 /nfs/dbraw/zinc/18/56/25/449185625.db2.gz SQRMUZFGKWUSJT-GHMZBOCLSA-N 1 2 339.396 1.109 20 5 EDBDLO CCCc1n[nH]c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000597999873 449185630 /nfs/dbraw/zinc/18/56/30/449185630.db2.gz SQRMUZFGKWUSJT-GHMZBOCLSA-N 1 2 339.396 1.109 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598000477 449186941 /nfs/dbraw/zinc/18/69/41/449186941.db2.gz VDBQDJQCVYFKRX-OLZOCXBDSA-N 1 2 336.392 1.232 20 5 EDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598000477 449186948 /nfs/dbraw/zinc/18/69/48/449186948.db2.gz VDBQDJQCVYFKRX-OLZOCXBDSA-N 1 2 336.392 1.232 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)CO1 ZINC000598000482 449187048 /nfs/dbraw/zinc/18/70/48/449187048.db2.gz VDPFUCOQBZGITR-RYUDHWBXSA-N 1 2 346.387 1.915 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)CO1 ZINC000598000482 449187053 /nfs/dbraw/zinc/18/70/53/449187053.db2.gz VDPFUCOQBZGITR-RYUDHWBXSA-N 1 2 346.387 1.915 20 5 EDBDLO CC(C)(C)OC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000595896326 449238565 /nfs/dbraw/zinc/23/85/65/449238565.db2.gz JRUXEVROVHDLNW-UHFFFAOYSA-N 1 2 340.380 1.272 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CCCO2 ZINC000600317391 449317249 /nfs/dbraw/zinc/31/72/49/449317249.db2.gz LLAREPDOVNZIAB-UHFFFAOYSA-N 1 2 328.328 1.786 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc(C)no1 ZINC000594053125 449339904 /nfs/dbraw/zinc/33/99/04/449339904.db2.gz MAEIGLTXHXJQGJ-UHFFFAOYSA-N 1 2 349.347 1.755 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc(C)no1 ZINC000594053125 449339907 /nfs/dbraw/zinc/33/99/07/449339907.db2.gz MAEIGLTXHXJQGJ-UHFFFAOYSA-N 1 2 349.347 1.755 20 5 EDBDLO C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1[nH]cc[nH+]1 ZINC000594421447 449507225 /nfs/dbraw/zinc/50/72/25/449507225.db2.gz WBDMOYQFQSDVQU-SECBINFHSA-N 1 2 332.316 1.509 20 5 EDBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000594508505 449558444 /nfs/dbraw/zinc/55/84/44/449558444.db2.gz CLEKLRRUWHXLNV-RYUDHWBXSA-N 1 2 348.411 1.806 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614419923 449601927 /nfs/dbraw/zinc/60/19/27/449601927.db2.gz CSXWHZIUEISUHZ-LBPRGKRZSA-N 1 2 330.348 1.380 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000614419923 449601932 /nfs/dbraw/zinc/60/19/32/449601932.db2.gz CSXWHZIUEISUHZ-LBPRGKRZSA-N 1 2 330.348 1.380 20 5 EDBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccco1 ZINC000594744488 449661862 /nfs/dbraw/zinc/66/18/62/449661862.db2.gz MEVMYCDBEZAGSB-LLVKDONJSA-N 1 2 340.361 1.164 20 5 EDBDLO Cn1c[nH+]c2c1CCN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C2 ZINC000601112741 449696237 /nfs/dbraw/zinc/69/62/37/449696237.db2.gz CGVDNKKSBBJCMA-UHFFFAOYSA-N 1 2 330.270 1.643 20 5 EDBDLO CCc1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000612452916 449713592 /nfs/dbraw/zinc/71/35/92/449713592.db2.gz KIUOKWWYCDFVAO-UHFFFAOYSA-N 1 2 336.373 1.833 20 5 EDBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)c1 ZINC000599100768 449732399 /nfs/dbraw/zinc/73/23/99/449732399.db2.gz NHZCSAPRDBQJAN-NSHDSACASA-N 1 2 327.344 1.786 20 5 EDBDLO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCOCC2)cc1C(F)(F)F ZINC000601176743 449734621 /nfs/dbraw/zinc/73/46/21/449734621.db2.gz MIDYMDYSCOQAQO-NSHDSACASA-N 1 2 349.309 1.719 20 5 EDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCN(c4nccnn4)CC3)c2c1 ZINC000599118103 449746277 /nfs/dbraw/zinc/74/62/77/449746277.db2.gz OGNDVCORDSQLNO-UHFFFAOYSA-N 1 2 337.343 1.655 20 5 EDBDLO COCc1n[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595064862 449852116 /nfs/dbraw/zinc/85/21/16/449852116.db2.gz BZGOVOBJZOGEJA-MNOVXSKESA-N 1 2 335.368 1.329 20 5 EDBDLO COCc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000595064862 449852122 /nfs/dbraw/zinc/85/21/22/449852122.db2.gz BZGOVOBJZOGEJA-MNOVXSKESA-N 1 2 335.368 1.329 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000601562749 450074802 /nfs/dbraw/zinc/07/48/02/450074802.db2.gz UPDCEESSTZKPPQ-UHFFFAOYSA-N 1 2 333.388 1.461 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622656 450152214 /nfs/dbraw/zinc/15/22/14/450152214.db2.gz YZGMKLLIWBMQBG-UHFFFAOYSA-N 1 2 348.363 1.232 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599699343 450162903 /nfs/dbraw/zinc/16/29/03/450162903.db2.gz FNNRFCJUGXFTAW-OAHLLOKOSA-N 1 2 348.403 1.832 20 5 EDBDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599699343 450162907 /nfs/dbraw/zinc/16/29/07/450162907.db2.gz FNNRFCJUGXFTAW-OAHLLOKOSA-N 1 2 348.403 1.832 20 5 EDBDLO C[C@H](C(=O)N(C)C[C@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000601735201 450199621 /nfs/dbraw/zinc/19/96/21/450199621.db2.gz NKUCRFYHIBKVEW-WCQYABFASA-N 1 2 339.367 1.626 20 5 EDBDLO C[C@H](C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000601735201 450199624 /nfs/dbraw/zinc/19/96/24/450199624.db2.gz NKUCRFYHIBKVEW-WCQYABFASA-N 1 2 339.367 1.626 20 5 EDBDLO CSc1ccc(C(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000601741443 450206854 /nfs/dbraw/zinc/20/68/54/450206854.db2.gz VSUDRNGSKFQFOX-LBPRGKRZSA-N 1 2 339.417 1.719 20 5 EDBDLO CSc1ccc(C(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000601741443 450206860 /nfs/dbraw/zinc/20/68/60/450206860.db2.gz VSUDRNGSKFQFOX-LBPRGKRZSA-N 1 2 339.417 1.719 20 5 EDBDLO O=C(CN1CCn2c[nH+]cc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595492728 450182704 /nfs/dbraw/zinc/18/27/04/450182704.db2.gz AWXYJEQBNRQIMO-UHFFFAOYSA-N 1 2 335.751 1.899 20 5 EDBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCOC3)CCC2 ZINC000618578089 450251829 /nfs/dbraw/zinc/25/18/29/450251829.db2.gz YZTAVRVXWJXYOQ-AWEZNQCLSA-N 1 2 329.360 1.884 20 5 EDBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615875799 450264650 /nfs/dbraw/zinc/26/46/50/450264650.db2.gz QKXXSZHCTNYANU-GFCCVEGCSA-N 1 2 342.355 1.644 20 5 EDBDLO O=C(C[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000603842322 450358814 /nfs/dbraw/zinc/35/88/14/450358814.db2.gz TWXKETZRXMCCND-UHFFFAOYSA-N 1 2 333.392 1.124 20 5 EDBDLO COc1cc(C[N@H+](C)CCN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184199244 533785645 /nfs/dbraw/zinc/78/56/45/533785645.db2.gz XFNYLVSSMDZXPA-UHFFFAOYSA-N 1 2 327.356 1.507 20 5 EDBDLO COc1cc(C[N@@H+](C)CCN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184199244 533785648 /nfs/dbraw/zinc/78/56/48/533785648.db2.gz XFNYLVSSMDZXPA-UHFFFAOYSA-N 1 2 327.356 1.507 20 5 EDBDLO COc1cc(CN(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184199244 533785657 /nfs/dbraw/zinc/78/56/57/533785657.db2.gz XFNYLVSSMDZXPA-UHFFFAOYSA-N 1 2 327.356 1.507 20 5 EDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)[C@H]1CCNC1=O ZINC000759432960 580005674 /nfs/dbraw/zinc/00/56/74/580005674.db2.gz FVOLPWBNDBCTIM-UFBFGSQYSA-N 1 2 340.767 1.396 20 5 EDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)[C@H]1CCNC1=O ZINC000759432960 580005675 /nfs/dbraw/zinc/00/56/75/580005675.db2.gz FVOLPWBNDBCTIM-UFBFGSQYSA-N 1 2 340.767 1.396 20 5 EDBDLO Cn1cc(CCOC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000734286672 578807108 /nfs/dbraw/zinc/80/71/08/578807108.db2.gz XPYHPTMSEFPBQG-UHFFFAOYSA-N 1 2 341.327 1.914 20 5 EDBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]1 ZINC000737336799 579074857 /nfs/dbraw/zinc/07/48/57/579074857.db2.gz GYIFODUYCHCRTF-UHFFFAOYSA-N 1 2 326.320 1.528 20 5 EDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748262797 579677460 /nfs/dbraw/zinc/67/74/60/579677460.db2.gz PTQRLHBBFYBCBL-KGLIPLIRSA-N 1 2 342.359 1.164 20 5 EDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748262797 579677462 /nfs/dbraw/zinc/67/74/62/579677462.db2.gz PTQRLHBBFYBCBL-KGLIPLIRSA-N 1 2 342.359 1.164 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000749850448 579742214 /nfs/dbraw/zinc/74/22/14/579742214.db2.gz MSCCRLHJYCLVKB-LBPRGKRZSA-N 1 2 331.369 1.248 20 5 EDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000749850448 579742215 /nfs/dbraw/zinc/74/22/15/579742215.db2.gz MSCCRLHJYCLVKB-LBPRGKRZSA-N 1 2 331.369 1.248 20 5 EDBDLO C[N@@H+](CC(=O)NCc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035228 579749355 /nfs/dbraw/zinc/74/93/55/579749355.db2.gz DPATYTZDNBHTIE-OAHLLOKOSA-N 1 2 333.344 1.469 20 5 EDBDLO C[N@H+](CC(=O)NCc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750035228 579749357 /nfs/dbraw/zinc/74/93/57/579749357.db2.gz DPATYTZDNBHTIE-OAHLLOKOSA-N 1 2 333.344 1.469 20 5 EDBDLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750091784 579751657 /nfs/dbraw/zinc/75/16/57/579751657.db2.gz CGCUREPNRWDPOY-CQSZACIVSA-N 1 2 328.390 1.137 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000778037485 580455284 /nfs/dbraw/zinc/45/52/84/580455284.db2.gz CIYMYBNGUJLYNV-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000778037485 580455285 /nfs/dbraw/zinc/45/52/85/580455285.db2.gz CIYMYBNGUJLYNV-MNOVXSKESA-N 1 2 345.396 1.755 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778232470 580459387 /nfs/dbraw/zinc/45/93/87/580459387.db2.gz IPBWYMLQTAUHQG-SOUVJXGZSA-N 1 2 338.360 1.281 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778232470 580459388 /nfs/dbraw/zinc/45/93/88/580459388.db2.gz IPBWYMLQTAUHQG-SOUVJXGZSA-N 1 2 338.360 1.281 20 5 EDBDLO CN(C)c1cc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc[nH+]1 ZINC000762467037 580074996 /nfs/dbraw/zinc/07/49/96/580074996.db2.gz AWPPIJSSRKYVOS-UHFFFAOYSA-N 1 2 325.328 1.814 20 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ZINC000785678004 580649917 /nfs/dbraw/zinc/64/99/17/580649917.db2.gz OZFYYPHYQSJSAS-UHFFFAOYSA-N 1 2 344.327 1.558 20 5 EDBDLO Nc1nccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000791362298 580790746 /nfs/dbraw/zinc/79/07/46/580790746.db2.gz ZQSFEDRFIIHVTL-UHFFFAOYSA-N 1 2 338.327 1.688 20 5 EDBDLO COc1cc(C(=O)O[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000791694148 580799663 /nfs/dbraw/zinc/79/96/63/580799663.db2.gz SAHWGGUVPJPPKW-NSHDSACASA-N 1 2 338.360 1.789 20 5 EDBDLO COC(=O)[C@@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000794630074 580900709 /nfs/dbraw/zinc/90/07/09/580900709.db2.gz CDAJKHZWVREIBO-NXEZZACHSA-N 1 2 335.316 1.201 20 5 EDBDLO COC(=O)[C@@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000794630074 580900710 /nfs/dbraw/zinc/90/07/10/580900710.db2.gz CDAJKHZWVREIBO-NXEZZACHSA-N 1 2 335.316 1.201 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C[C@@H]21 ZINC000794991806 580910265 /nfs/dbraw/zinc/91/02/65/580910265.db2.gz MGQAVVAGECUMFG-UUIJZJDISA-N 1 2 347.371 1.581 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C[C@@H]21 ZINC000794991806 580910266 /nfs/dbraw/zinc/91/02/66/580910266.db2.gz MGQAVVAGECUMFG-UUIJZJDISA-N 1 2 347.371 1.581 20 5 EDBDLO O=C(NCCO)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000795871302 580939803 /nfs/dbraw/zinc/93/98/03/580939803.db2.gz CAKDNSUJYSHIRJ-UHFFFAOYSA-N 1 2 343.330 1.194 20 5 EDBDLO CCCc1[nH]nc(C(=O)O[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000796261331 580949414 /nfs/dbraw/zinc/94/94/14/580949414.db2.gz LUFHWRXFJZLSKP-SNVBAGLBSA-N 1 2 326.353 1.148 20 5 EDBDLO CC(C)C[C@H]1NC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866359 581060371 /nfs/dbraw/zinc/06/03/71/581060371.db2.gz ZCHLFPWFBDCVDO-OAHLLOKOSA-N 1 2 348.403 1.993 20 5 EDBDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866359 581060372 /nfs/dbraw/zinc/06/03/72/581060372.db2.gz ZCHLFPWFBDCVDO-OAHLLOKOSA-N 1 2 348.403 1.993 20 5 EDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804809195 590776385 /nfs/dbraw/zinc/77/63/85/590776385.db2.gz RGNCMOBVVGYQNV-RYUDHWBXSA-N 1 2 336.348 1.802 20 5 EDBDLO Cc1cc(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)nc(C(C)C)[nH+]1 ZINC000891610472 591148333 /nfs/dbraw/zinc/14/83/33/591148333.db2.gz ONSRRSWBISHUTJ-UHFFFAOYSA-N 1 2 345.407 1.877 20 5 EDBDLO CN(C)c1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000894135433 591205274 /nfs/dbraw/zinc/20/52/74/591205274.db2.gz ZESKIMKAWAANBF-UHFFFAOYSA-N 1 2 329.364 1.172 20 5 EDBDLO CN(C)c1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]cn1 ZINC000894135433 591205276 /nfs/dbraw/zinc/20/52/76/591205276.db2.gz ZESKIMKAWAANBF-UHFFFAOYSA-N 1 2 329.364 1.172 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000894493159 591325793 /nfs/dbraw/zinc/32/57/93/591325793.db2.gz UCCGJHXRNJMMGO-CVEARBPZSA-N 1 2 343.387 1.418 20 5 EDBDLO 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ZINC000267563656 139633492 /nfs/dbraw/zinc/63/34/92/139633492.db2.gz VKEWYBNHJVPABB-GHMZBOCLSA-N 1 2 337.405 1.461 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270734094 140158527 /nfs/dbraw/zinc/15/85/27/140158527.db2.gz DDSOMXPAIZCORK-UHFFFAOYSA-N 1 2 328.332 1.416 20 5 EDBDLO CC[C@H]([NH2+]Cc1cn(CC(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000271481398 140301522 /nfs/dbraw/zinc/30/15/22/140301522.db2.gz JCKXBRHRTCPSHV-AWEZNQCLSA-N 1 2 333.348 1.600 20 5 EDBDLO CSC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000331138677 140986694 /nfs/dbraw/zinc/98/66/94/140986694.db2.gz LGRCDISPHAQLCT-JTQLQIEISA-N 1 2 345.446 1.138 20 5 EDBDLO Cc1n[nH]c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000332103542 141123642 /nfs/dbraw/zinc/12/36/42/141123642.db2.gz SIEAPGJLHOSOSM-UHFFFAOYSA-N 1 2 332.364 1.455 20 5 EDBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000346122338 143170066 /nfs/dbraw/zinc/17/00/66/143170066.db2.gz MOPWEDIXVAZNKK-UHFFFAOYSA-N 1 2 349.778 1.929 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nc(C)no1 ZINC000348070192 143397484 /nfs/dbraw/zinc/39/74/84/143397484.db2.gz CWIJFJCUGQDQSO-SECBINFHSA-N 1 2 349.347 1.974 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186795466 533675004 /nfs/dbraw/zinc/67/50/04/533675004.db2.gz UOYFSLVLEBFLSN-GFCCVEGCSA-N 1 2 339.417 1.212 20 5 EDBDLO Cc1[nH+]c2n(c1C)CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C2 ZINC000369830423 155194972 /nfs/dbraw/zinc/19/49/72/155194972.db2.gz HEWHBBDQAJRVAN-UHFFFAOYSA-N 1 2 343.387 1.887 20 5 EDBDLO COc1ccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000353134684 149299517 /nfs/dbraw/zinc/29/95/17/149299517.db2.gz HZHWTBDXHHAIED-SMDDNHRTSA-N 1 2 326.374 1.222 20 5 EDBDLO COc1ccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000353134684 149299522 /nfs/dbraw/zinc/29/95/22/149299522.db2.gz HZHWTBDXHHAIED-SMDDNHRTSA-N 1 2 326.374 1.222 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000353390419 149388722 /nfs/dbraw/zinc/38/87/22/149388722.db2.gz UQYVNSXOMZCFAJ-CVEARBPZSA-N 1 2 347.415 1.804 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000353390419 149388723 /nfs/dbraw/zinc/38/87/23/149388723.db2.gz UQYVNSXOMZCFAJ-CVEARBPZSA-N 1 2 347.415 1.804 20 5 EDBDLO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000354882272 150009007 /nfs/dbraw/zinc/00/90/07/150009007.db2.gz HLZDAIIAERGTQJ-UHFFFAOYSA-N 1 2 345.359 1.711 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000355381283 150244130 /nfs/dbraw/zinc/24/41/30/150244130.db2.gz OLNKBVUTTCNORX-QWHCGFSZSA-N 1 2 349.387 1.973 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000355381283 150244133 /nfs/dbraw/zinc/24/41/33/150244133.db2.gz OLNKBVUTTCNORX-QWHCGFSZSA-N 1 2 349.387 1.973 20 5 EDBDLO Cn1cc(C[NH+]2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000357767304 151145025 /nfs/dbraw/zinc/14/50/25/151145025.db2.gz SEKGGNQPVNELGL-UHFFFAOYSA-N 1 2 345.403 1.525 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000358124228 151280142 /nfs/dbraw/zinc/28/01/42/151280142.db2.gz XDVSRLRCUFCAQK-UHFFFAOYSA-N 1 2 333.352 1.072 20 5 EDBDLO Cc1c(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000358137112 151284775 /nfs/dbraw/zinc/28/47/75/151284775.db2.gz HKGLGLQFNGOGGR-CABCVRRESA-N 1 2 334.376 1.128 20 5 EDBDLO Cc1c(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000358137112 151284776 /nfs/dbraw/zinc/28/47/76/151284776.db2.gz HKGLGLQFNGOGGR-CABCVRRESA-N 1 2 334.376 1.128 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000363793256 153057791 /nfs/dbraw/zinc/05/77/91/153057791.db2.gz YVHUSTVLKOQYPV-LBPRGKRZSA-N 1 2 332.364 1.006 20 5 EDBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000363914992 153095171 /nfs/dbraw/zinc/09/51/71/153095171.db2.gz OTNXLFPEZNZIMA-VYDXJSESSA-N 1 2 334.372 1.698 20 5 EDBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000363914992 153095174 /nfs/dbraw/zinc/09/51/74/153095174.db2.gz OTNXLFPEZNZIMA-VYDXJSESSA-N 1 2 334.372 1.698 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C2)cc(OC)c1 ZINC000364054152 153133454 /nfs/dbraw/zinc/13/34/54/153133454.db2.gz PGOJBFDQASOKFR-RCBQFDQVSA-N 1 2 349.387 1.060 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])C2)cc(OC)c1 ZINC000364054152 153133458 /nfs/dbraw/zinc/13/34/58/153133458.db2.gz PGOJBFDQASOKFR-RCBQFDQVSA-N 1 2 349.387 1.060 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc(OC)c1 ZINC000364054150 153133665 /nfs/dbraw/zinc/13/36/65/153133665.db2.gz PGOJBFDQASOKFR-APHBMKBZSA-N 1 2 349.387 1.060 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc(OC)c1 ZINC000364054150 153133668 /nfs/dbraw/zinc/13/36/68/153133668.db2.gz PGOJBFDQASOKFR-APHBMKBZSA-N 1 2 349.387 1.060 20 5 EDBDLO CN(CC(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1[N+](=O)[O-] ZINC000364298326 153199190 /nfs/dbraw/zinc/19/91/90/153199190.db2.gz VTWTUHVKCHNRSJ-LBPRGKRZSA-N 1 2 329.360 1.359 20 5 EDBDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000364435043 153236247 /nfs/dbraw/zinc/23/62/47/153236247.db2.gz JQPVCATZQYNGKR-LLVKDONJSA-N 1 2 347.331 1.293 20 5 EDBDLO NC(=O)c1noc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000364435043 153236249 /nfs/dbraw/zinc/23/62/49/153236249.db2.gz JQPVCATZQYNGKR-LLVKDONJSA-N 1 2 347.331 1.293 20 5 EDBDLO CC(C)c1ncc2c(n1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000367141522 154021018 /nfs/dbraw/zinc/02/10/18/154021018.db2.gz QDXIIYJTRZSXKT-UHFFFAOYSA-N 1 2 343.387 1.728 20 5 EDBDLO CC(C)c1ncc2c(n1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000367141522 154021021 /nfs/dbraw/zinc/02/10/21/154021021.db2.gz QDXIIYJTRZSXKT-UHFFFAOYSA-N 1 2 343.387 1.728 20 5 EDBDLO Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000367701425 154235844 /nfs/dbraw/zinc/23/58/44/154235844.db2.gz KQANPMWIVOBBDN-AWEZNQCLSA-N 1 2 341.433 1.759 20 5 EDBDLO Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000367701425 154235846 /nfs/dbraw/zinc/23/58/46/154235846.db2.gz KQANPMWIVOBBDN-AWEZNQCLSA-N 1 2 341.433 1.759 20 5 EDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369500647 155060819 /nfs/dbraw/zinc/06/08/19/155060819.db2.gz NSWAOPMRGJLSHM-ZDUSSCGKSA-N 1 2 343.387 1.972 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000369597870 155104503 /nfs/dbraw/zinc/10/45/03/155104503.db2.gz RQZUKXQMMOLPDT-LLVKDONJSA-N 1 2 331.332 1.324 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000369597870 155104508 /nfs/dbraw/zinc/10/45/08/155104508.db2.gz RQZUKXQMMOLPDT-LLVKDONJSA-N 1 2 331.332 1.324 20 5 EDBDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352545285 162243489 /nfs/dbraw/zinc/24/34/89/162243489.db2.gz IBERXXFHBRCPPL-UHFFFAOYSA-N 1 2 338.360 1.493 20 5 EDBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000052954375 287223775 /nfs/dbraw/zinc/22/37/75/287223775.db2.gz UVMMRBXMJDFAMH-UHFFFAOYSA-N 1 2 341.331 1.181 20 5 EDBDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000159794035 225278465 /nfs/dbraw/zinc/27/84/65/225278465.db2.gz NNQCRHBECPRALL-UHFFFAOYSA-N 1 2 325.390 1.599 20 5 EDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000275401864 268337251 /nfs/dbraw/zinc/33/72/51/268337251.db2.gz DZYTUKVILZVSJX-LLVKDONJSA-N 1 2 333.344 1.480 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ncn(C)n1 ZINC000275461248 268346025 /nfs/dbraw/zinc/34/60/25/268346025.db2.gz BVWNQIQWXWQGEN-LLVKDONJSA-N 1 2 332.364 1.711 20 5 EDBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275499174 268351832 /nfs/dbraw/zinc/35/18/32/268351832.db2.gz AEKUGCLOCPSBFL-INIZCTEOSA-N 1 2 333.388 1.778 20 5 EDBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275499174 268351833 /nfs/dbraw/zinc/35/18/33/268351833.db2.gz AEKUGCLOCPSBFL-INIZCTEOSA-N 1 2 333.388 1.778 20 5 EDBDLO Cc1cnc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000275856531 268379214 /nfs/dbraw/zinc/37/92/14/268379214.db2.gz XFEPQRVOZXTCOU-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO Cc1cnc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)c([N+](=O)[O-])c1 ZINC000275856531 268379215 /nfs/dbraw/zinc/37/92/15/268379215.db2.gz XFEPQRVOZXTCOU-GFCCVEGCSA-N 1 2 343.391 1.381 20 5 EDBDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000275760412 273125839 /nfs/dbraw/zinc/12/58/39/273125839.db2.gz WYZJSBRPZIOTLK-NSHDSACASA-N 1 2 346.343 1.942 20 5 EDBDLO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCOCC1 ZINC000087035894 272916206 /nfs/dbraw/zinc/91/62/06/272916206.db2.gz GUYALVONJWRYIZ-ZDUSSCGKSA-N 1 2 348.403 1.383 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171758520 272932300 /nfs/dbraw/zinc/93/23/00/272932300.db2.gz ZYSHFAXBFKYNAU-UHFFFAOYSA-N 1 2 326.316 1.476 20 5 EDBDLO C[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000278913400 273270819 /nfs/dbraw/zinc/27/08/19/273270819.db2.gz WCJGGSYECTZYGR-GFCCVEGCSA-N 1 2 346.391 1.859 20 5 EDBDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364329091 274002317 /nfs/dbraw/zinc/00/23/17/274002317.db2.gz PQBKDMKCJWCOLN-GFCCVEGCSA-N 1 2 333.348 1.743 20 5 EDBDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364329091 274002318 /nfs/dbraw/zinc/00/23/18/274002318.db2.gz PQBKDMKCJWCOLN-GFCCVEGCSA-N 1 2 333.348 1.743 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284884271 274372176 /nfs/dbraw/zinc/37/21/76/274372176.db2.gz TXQLVAOQVHZIBX-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284884271 274372178 /nfs/dbraw/zinc/37/21/78/274372178.db2.gz TXQLVAOQVHZIBX-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284884271 274372179 /nfs/dbraw/zinc/37/21/79/274372179.db2.gz TXQLVAOQVHZIBX-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284884271 274372181 /nfs/dbraw/zinc/37/21/81/274372181.db2.gz TXQLVAOQVHZIBX-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000285863653 287876018 /nfs/dbraw/zinc/87/60/18/287876018.db2.gz PWVHSJJCQHTGFV-DZGCQCFKSA-N 1 2 333.388 1.459 20 5 EDBDLO CNC(=O)C[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000361796499 277000168 /nfs/dbraw/zinc/00/01/68/277000168.db2.gz FRDLROFHUBOJFW-UHFFFAOYSA-N 1 2 328.319 1.131 20 5 EDBDLO CNC(=O)C[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000361796499 277000170 /nfs/dbraw/zinc/00/01/70/277000170.db2.gz 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O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000420448096 304759730 /nfs/dbraw/zinc/75/97/30/304759730.db2.gz QSWRZUAOGLASEY-LLVKDONJSA-N 1 2 335.332 1.011 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000341159186 303019966 /nfs/dbraw/zinc/01/99/66/303019966.db2.gz DOOOPSNCFNSPAM-AWEZNQCLSA-N 1 2 343.387 1.782 20 5 EDBDLO O=c1[nH]nc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000295340109 303206593 /nfs/dbraw/zinc/20/65/93/303206593.db2.gz MYVDUUSDSOWCCF-CYBMUJFWSA-N 1 2 334.332 1.184 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000296141944 303298539 /nfs/dbraw/zinc/29/85/39/303298539.db2.gz JRQGVJWLJVIDCS-NHYWBVRUSA-N 1 2 337.376 1.777 20 5 EDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000296141944 303298540 /nfs/dbraw/zinc/29/85/40/303298540.db2.gz JRQGVJWLJVIDCS-NHYWBVRUSA-N 1 2 337.376 1.777 20 5 EDBDLO C[C@@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 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C[C@@H](C[S@](C)=O)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185115490 443141278 /nfs/dbraw/zinc/14/12/78/443141278.db2.gz RTTNQIBAPCQCDH-VCGICTTQSA-N 1 2 338.389 1.844 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185115490 443141282 /nfs/dbraw/zinc/14/12/82/443141282.db2.gz RTTNQIBAPCQCDH-VCGICTTQSA-N 1 2 338.389 1.844 20 5 EDBDLO CCC[C@@H](O)[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413488855 319270713 /nfs/dbraw/zinc/27/07/13/319270713.db2.gz BFNFQOFWPRBVTH-LSDHHAIUSA-N 1 2 346.387 1.716 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000413968552 319307498 /nfs/dbraw/zinc/30/74/98/319307498.db2.gz SZKNAUPLBSFPOC-UHFFFAOYSA-N 1 2 336.392 1.234 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000266990756 443309679 /nfs/dbraw/zinc/30/96/79/443309679.db2.gz VEMWRIXOUXXACB-JTQLQIEISA-N 1 2 331.332 1.061 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]CC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000272507689 443344631 /nfs/dbraw/zinc/34/46/31/443344631.db2.gz IIMDIHYRQCGCFJ-CQSZACIVSA-N 1 2 332.360 1.770 20 5 EDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269523671 443336724 /nfs/dbraw/zinc/33/67/24/443336724.db2.gz FICBKUFLZPDHFE-CYBMUJFWSA-N 1 2 330.344 1.071 20 5 EDBDLO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272784215 443444076 /nfs/dbraw/zinc/44/40/76/443444076.db2.gz FLJPIXAPMLELKF-LLVKDONJSA-N 1 2 338.364 1.446 20 5 EDBDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000278878868 443470920 /nfs/dbraw/zinc/47/09/20/443470920.db2.gz NOUBUNOQROCPTC-UHFFFAOYSA-N 1 2 329.360 1.518 20 5 EDBDLO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000267576110 443502422 /nfs/dbraw/zinc/50/24/22/443502422.db2.gz YEZPXNFQQOQYGJ-XHDPSFHLSA-N 1 2 336.348 1.660 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCO1 ZINC000283408943 443625375 /nfs/dbraw/zinc/62/53/75/443625375.db2.gz HQXYMINUVWTEBI-UHFFFAOYSA-N 1 2 340.355 1.157 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCO1 ZINC000283408943 443625377 /nfs/dbraw/zinc/62/53/77/443625377.db2.gz HQXYMINUVWTEBI-UHFFFAOYSA-N 1 2 340.355 1.157 20 5 EDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283535198 443656154 /nfs/dbraw/zinc/65/61/54/443656154.db2.gz LKDGYSNOLPTDFK-LBPRGKRZSA-N 1 2 335.408 1.214 20 5 EDBDLO CCOC1CC(CNc2c([N+](=O)[O-])ncn2C)([NH+]2CCOCC2)C1 ZINC000443961204 320117183 /nfs/dbraw/zinc/11/71/83/320117183.db2.gz KSVHZVPRYVHERG-UHFFFAOYSA-N 1 2 339.396 1.010 20 5 EDBDLO CN(C)C(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448787926 320159975 /nfs/dbraw/zinc/15/99/75/320159975.db2.gz PPQNNFSVCUPWLW-UHFFFAOYSA-N 1 2 345.359 1.379 20 5 EDBDLO CCN1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449521328 320193613 /nfs/dbraw/zinc/19/36/13/320193613.db2.gz UPSWAZFDIMTWLK-BBRMVZONSA-N 1 2 343.387 1.628 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H](F)[C@@H](F)C1 ZINC000450705761 320225368 /nfs/dbraw/zinc/22/53/68/320225368.db2.gz CRZOLRBHPKGTCG-BETUJISGSA-N 1 2 327.331 1.923 20 5 EDBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457716085 320333283 /nfs/dbraw/zinc/33/32/83/320333283.db2.gz GNUGNPDRQAALAU-UHFFFAOYSA-N 1 2 339.417 1.502 20 5 EDBDLO CC(C)[N@H+](Cc1cn(CC(N)=O)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000459304860 320345710 /nfs/dbraw/zinc/34/57/10/320345710.db2.gz PLRCKRFOGASLQA-UHFFFAOYSA-N 1 2 332.364 1.082 20 5 EDBDLO CC(C)[N@@H+](Cc1cn(CC(N)=O)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000459304860 320345711 /nfs/dbraw/zinc/34/57/11/320345711.db2.gz PLRCKRFOGASLQA-UHFFFAOYSA-N 1 2 332.364 1.082 20 5 EDBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000276673400 443787126 /nfs/dbraw/zinc/78/71/26/443787126.db2.gz ZGNBKNJMYCAKOQ-GFCCVEGCSA-N 1 2 339.417 1.839 20 5 EDBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000276673400 443787131 /nfs/dbraw/zinc/78/71/31/443787131.db2.gz ZGNBKNJMYCAKOQ-GFCCVEGCSA-N 1 2 339.417 1.839 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000276575898 443753120 /nfs/dbraw/zinc/75/31/20/443753120.db2.gz HCZHMFPCMXXLKV-NSHDSACASA-N 1 2 335.389 1.519 20 5 EDBDLO Cc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285241260 443909751 /nfs/dbraw/zinc/90/97/51/443909751.db2.gz YPFLBTRQUWJOKB-GJZGRUSLSA-N 1 2 334.376 1.840 20 5 EDBDLO Cc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285241260 443909754 /nfs/dbraw/zinc/90/97/54/443909754.db2.gz YPFLBTRQUWJOKB-GJZGRUSLSA-N 1 2 334.376 1.840 20 5 EDBDLO Cc1cccn2cc(Cc3noc(-c4c([N+](=O)[O-])cnn4C)n3)[nH+]c12 ZINC000546386398 320810119 /nfs/dbraw/zinc/81/01/19/320810119.db2.gz VPRFPAKKAXIPKU-UHFFFAOYSA-N 1 2 339.315 1.925 20 5 EDBDLO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285718827 444083309 /nfs/dbraw/zinc/08/33/09/444083309.db2.gz IIASIFWNDJOGCR-TZMCWYRMSA-N 1 2 349.387 1.539 20 5 EDBDLO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301219949 444155718 /nfs/dbraw/zinc/15/57/18/444155718.db2.gz ARVISQZYNBVTSW-NWDGAFQWSA-N 1 2 336.392 1.476 20 5 EDBDLO CNC(=O)c1ccc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301219949 444155721 /nfs/dbraw/zinc/15/57/21/444155721.db2.gz ARVISQZYNBVTSW-NWDGAFQWSA-N 1 2 336.392 1.476 20 5 EDBDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301768293 444189594 /nfs/dbraw/zinc/18/95/94/444189594.db2.gz ITWKXRANZFUFEO-NSHDSACASA-N 1 2 329.360 1.139 20 5 EDBDLO Cc1cc(N2C[C@@H](C)O[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302788601 444224048 /nfs/dbraw/zinc/22/40/48/444224048.db2.gz XNWGSNHJKCYOLN-IUODEOHRSA-N 1 2 344.371 1.946 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1=O ZINC000340796134 444513771 /nfs/dbraw/zinc/51/37/71/444513771.db2.gz KLDROEAVUGIWQY-GFCCVEGCSA-N 1 2 330.348 1.326 20 5 EDBDLO COc1c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000342259484 444594938 /nfs/dbraw/zinc/59/49/38/444594938.db2.gz ZWQLYYODUOSWNS-OLZOCXBDSA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340983410 444614008 /nfs/dbraw/zinc/61/40/08/444614008.db2.gz KTNICKVGVCFPRQ-ZDUSSCGKSA-N 1 2 346.387 1.538 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340983410 444614014 /nfs/dbraw/zinc/61/40/14/444614014.db2.gz KTNICKVGVCFPRQ-ZDUSSCGKSA-N 1 2 346.387 1.538 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000342358623 444653060 /nfs/dbraw/zinc/65/30/60/444653060.db2.gz HWWKMQNJWGLOEL-JTQLQIEISA-N 1 2 326.328 1.246 20 5 EDBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000342358623 444653063 /nfs/dbraw/zinc/65/30/63/444653063.db2.gz HWWKMQNJWGLOEL-JTQLQIEISA-N 1 2 326.328 1.246 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000341573683 444901920 /nfs/dbraw/zinc/90/19/20/444901920.db2.gz FRBXBWXJQUPHSM-KRWDZBQOSA-N 1 2 343.383 1.700 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000341573683 444901924 /nfs/dbraw/zinc/90/19/24/444901924.db2.gz FRBXBWXJQUPHSM-KRWDZBQOSA-N 1 2 343.383 1.700 20 5 EDBDLO Cn1c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000344422192 444958300 /nfs/dbraw/zinc/95/83/00/444958300.db2.gz JCMUUAFSZVUEIK-UHFFFAOYSA-N 1 2 329.360 1.286 20 5 EDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[NH2+]1 ZINC000337592292 445156015 /nfs/dbraw/zinc/15/60/15/445156015.db2.gz NNHMYEKRDXTKRH-LBPRGKRZSA-N 1 2 345.359 1.124 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000348295745 445342853 /nfs/dbraw/zinc/34/28/53/445342853.db2.gz URMVKKOUIPEYLI-LLVKDONJSA-N 1 2 327.406 1.482 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000348295745 445342855 /nfs/dbraw/zinc/34/28/55/445342855.db2.gz URMVKKOUIPEYLI-LLVKDONJSA-N 1 2 327.406 1.482 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@]1(CO)CCOC1 ZINC000359827488 445448222 /nfs/dbraw/zinc/44/82/22/445448222.db2.gz BAMRLWPULGWQGJ-AWEZNQCLSA-N 1 2 343.767 1.270 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@]1(CO)CCOC1 ZINC000359827488 445448227 /nfs/dbraw/zinc/44/82/27/445448227.db2.gz BAMRLWPULGWQGJ-AWEZNQCLSA-N 1 2 343.767 1.270 20 5 EDBDLO Cc1sc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000360156525 445600040 /nfs/dbraw/zinc/60/00/40/445600040.db2.gz DUMNIBJIAHKWML-YPMHNXCESA-N 1 2 339.417 1.636 20 5 EDBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000362995030 445642827 /nfs/dbraw/zinc/64/28/27/445642827.db2.gz UHRFTQKRTUMBIO-JRPNMDOOSA-N 1 2 339.342 1.711 20 5 EDBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000362995030 445642832 /nfs/dbraw/zinc/64/28/32/445642832.db2.gz UHRFTQKRTUMBIO-JRPNMDOOSA-N 1 2 339.342 1.711 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363056186 445662953 /nfs/dbraw/zinc/66/29/53/445662953.db2.gz ULWSJEAYXRPPJQ-MELADBBJSA-N 1 2 331.372 1.857 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363056186 445662955 /nfs/dbraw/zinc/66/29/55/445662955.db2.gz ULWSJEAYXRPPJQ-MELADBBJSA-N 1 2 331.372 1.857 20 5 EDBDLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)CC1 ZINC000363796503 445876096 /nfs/dbraw/zinc/87/60/96/445876096.db2.gz NXQQIBCXODXIJU-ZDUSSCGKSA-N 1 2 348.403 1.199 20 5 EDBDLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)CC1 ZINC000363796503 445876101 /nfs/dbraw/zinc/87/61/01/445876101.db2.gz NXQQIBCXODXIJU-ZDUSSCGKSA-N 1 2 348.403 1.199 20 5 EDBDLO C[C@@H](Cn1cncn1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350487450 445837478 /nfs/dbraw/zinc/83/74/78/445837478.db2.gz ZLEHNIZZTONDLC-ZDUSSCGKSA-N 1 2 346.391 1.519 20 5 EDBDLO Cc1ccc([C@@H](C)N2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)cc1[N+](=O)[O-] ZINC000359170821 445997857 /nfs/dbraw/zinc/99/78/57/445997857.db2.gz BKXPXMUUFMOZDP-ZWNOBZJWSA-N 1 2 343.343 1.850 20 5 EDBDLO Cc1ccc([C@@H](C)N2C(=O)N[C@H](Cc3c[nH]c[nH+]3)C2=O)cc1[N+](=O)[O-] ZINC000359170821 445997861 /nfs/dbraw/zinc/99/78/61/445997861.db2.gz BKXPXMUUFMOZDP-ZWNOBZJWSA-N 1 2 343.343 1.850 20 5 EDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000350973556 445961011 /nfs/dbraw/zinc/96/10/11/445961011.db2.gz WKFTYBYTADNTMR-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000350973556 445961017 /nfs/dbraw/zinc/96/10/17/445961017.db2.gz WKFTYBYTADNTMR-NWDGAFQWSA-N 1 2 327.406 1.449 20 5 EDBDLO CC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000354147857 445946169 /nfs/dbraw/zinc/94/61/69/445946169.db2.gz VGFLMAVQBLTTJL-LBPRGKRZSA-N 1 2 331.332 1.315 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000354354322 446138012 /nfs/dbraw/zinc/13/80/12/446138012.db2.gz CUJRZXLYURBWFE-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373225450 446104589 /nfs/dbraw/zinc/10/45/89/446104589.db2.gz ABYPSSDXFFATCJ-CQSZACIVSA-N 1 2 334.376 1.545 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373225450 446104591 /nfs/dbraw/zinc/10/45/91/446104591.db2.gz ABYPSSDXFFATCJ-CQSZACIVSA-N 1 2 334.376 1.545 20 5 EDBDLO COc1ccc(NC(=O)CN2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000373316103 446161460 /nfs/dbraw/zinc/16/14/60/446161460.db2.gz GXEWRRGLDMXDIX-UHFFFAOYSA-N 1 2 345.359 1.563 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366720782 446322492 /nfs/dbraw/zinc/32/24/92/446322492.db2.gz PIXMHLZIKHQNJH-CYBMUJFWSA-N 1 2 343.405 1.117 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366720782 446322497 /nfs/dbraw/zinc/32/24/97/446322497.db2.gz PIXMHLZIKHQNJH-CYBMUJFWSA-N 1 2 343.405 1.117 20 5 EDBDLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376103289 446336916 /nfs/dbraw/zinc/33/69/16/446336916.db2.gz PINIYGWXKBEKOP-UHFFFAOYSA-N 1 2 345.359 1.433 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)CCC2 ZINC000371254794 446718460 /nfs/dbraw/zinc/71/84/60/446718460.db2.gz ZTBKJTOHMSASSN-SNVBAGLBSA-N 1 2 330.348 1.583 20 5 EDBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428895 446856170 /nfs/dbraw/zinc/85/61/70/446856170.db2.gz JNWSROGMAGZKLY-GOEBONIOSA-N 1 2 346.387 1.905 20 5 EDBDLO Cn1ccnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428895 446856176 /nfs/dbraw/zinc/85/61/76/446856176.db2.gz JNWSROGMAGZKLY-GOEBONIOSA-N 1 2 346.387 1.905 20 5 EDBDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375743064 447016315 /nfs/dbraw/zinc/01/63/15/447016315.db2.gz MTKJJPWJZIWTQV-LLVKDONJSA-N 1 2 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CC1(C)NC(=O)N(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000088605404 534980112 /nfs/dbraw/zinc/98/01/12/534980112.db2.gz AXRYCJOUXTYMHD-UHFFFAOYSA-N 1 2 332.360 1.283 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000339476948 535320998 /nfs/dbraw/zinc/32/09/98/535320998.db2.gz JBUOROOILSKUSC-JTQLQIEISA-N 1 2 332.364 1.805 20 5 EDBDLO CC(C)c1[nH]nc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000339476948 535321002 /nfs/dbraw/zinc/32/10/02/535321002.db2.gz JBUOROOILSKUSC-JTQLQIEISA-N 1 2 332.364 1.805 20 5 EDBDLO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000725789210 578281903 /nfs/dbraw/zinc/28/19/03/578281903.db2.gz BFHIRTULVFGQMX-AGLBCWCQSA-N 1 2 349.387 1.914 20 5 EDBDLO COC(=O)/C=C\c1ccc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000725789210 578281904 /nfs/dbraw/zinc/28/19/04/578281904.db2.gz BFHIRTULVFGQMX-AGLBCWCQSA-N 1 2 349.387 1.914 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000729921979 578600043 /nfs/dbraw/zinc/60/00/43/578600043.db2.gz GYZJBRUFOCORDT-INIZCTEOSA-N 1 2 344.371 1.414 20 5 EDBDLO Cc1nn(C)c(C)c1C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738127050 579162465 /nfs/dbraw/zinc/16/24/65/579162465.db2.gz KPEVMNTZFADXBY-UHFFFAOYSA-N 1 2 345.359 1.943 20 5 EDBDLO Cc1nn(C)c(C)c1C[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738127050 579162466 /nfs/dbraw/zinc/16/24/66/579162466.db2.gz KPEVMNTZFADXBY-UHFFFAOYSA-N 1 2 345.359 1.943 20 5 EDBDLO Cc1[nH+]c2ccccc2n1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748119930 579670669 /nfs/dbraw/zinc/67/06/69/579670669.db2.gz YVZSSQXZMOZHLU-UHFFFAOYSA-N 1 2 329.316 1.693 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000749287486 579720479 /nfs/dbraw/zinc/72/04/79/579720479.db2.gz NYVLEMJTRRUTJS-UHFFFAOYSA-N 1 2 346.315 1.951 20 5 EDBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000767521851 580191849 /nfs/dbraw/zinc/19/18/49/580191849.db2.gz 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C[C@H]1CN(C)C(=O)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000782595090 580579451 /nfs/dbraw/zinc/57/94/51/580579451.db2.gz JENSKQRXBHFELB-NSHDSACASA-N 1 2 348.359 1.055 20 5 EDBDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000782595090 580579452 /nfs/dbraw/zinc/57/94/52/580579452.db2.gz JENSKQRXBHFELB-NSHDSACASA-N 1 2 348.359 1.055 20 5 EDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000790455701 580770696 /nfs/dbraw/zinc/77/06/96/580770696.db2.gz KNHCVCMFLWVXFN-GFCCVEGCSA-N 1 2 346.343 1.157 20 5 EDBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000790455701 580770697 /nfs/dbraw/zinc/77/06/97/580770697.db2.gz KNHCVCMFLWVXFN-GFCCVEGCSA-N 1 2 346.343 1.157 20 5 EDBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792880900 580830033 /nfs/dbraw/zinc/83/00/33/580830033.db2.gz JDVVIHJXNCVPJY-CYBMUJFWSA-N 1 2 327.337 1.721 20 5 EDBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792880900 580830034 /nfs/dbraw/zinc/83/00/34/580830034.db2.gz JDVVIHJXNCVPJY-CYBMUJFWSA-N 1 2 327.337 1.721 20 5 EDBDLO C[C@@]1(O)CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000794668267 580902159 /nfs/dbraw/zinc/90/21/59/580902159.db2.gz SFJKFHPDETYCAT-MRXNPFEDSA-N 1 2 333.344 1.385 20 5 EDBDLO C[C@@]1(O)CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000794668267 580902160 /nfs/dbraw/zinc/90/21/60/580902160.db2.gz SFJKFHPDETYCAT-MRXNPFEDSA-N 1 2 333.344 1.385 20 5 EDBDLO CCOC(=O)C1(COC)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000794705690 580903707 /nfs/dbraw/zinc/90/37/07/580903707.db2.gz XAGFGVYLPQTLGB-UHFFFAOYSA-N 1 2 326.353 1.041 20 5 EDBDLO C[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000892282505 590911638 /nfs/dbraw/zinc/91/16/38/590911638.db2.gz UFWNUEWDOILOJD-LBPRGKRZSA-N 1 2 347.394 1.752 20 5 EDBDLO O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000891069194 590938387 /nfs/dbraw/zinc/93/83/87/590938387.db2.gz VTFRBTZTNOQAIU-ZIAGYGMSSA-N 1 2 342.355 1.935 20 5 EDBDLO Cn1c[nH+]c(CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC000894151985 591209310 /nfs/dbraw/zinc/20/93/10/591209310.db2.gz XPEUAMKAIOIJJA-UHFFFAOYSA-N 1 2 327.344 1.835 20 5 EDBDLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000895191779 591650696 /nfs/dbraw/zinc/65/06/96/591650696.db2.gz SAUJOEJYHREBCN-WCQYABFASA-N 1 2 339.417 1.671 20 5 EDBDLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000895191779 591650699 /nfs/dbraw/zinc/65/06/99/591650699.db2.gz SAUJOEJYHREBCN-WCQYABFASA-N 1 2 339.417 1.671 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910027587 592747641 /nfs/dbraw/zinc/74/76/41/592747641.db2.gz LQFQNUKSUFUHAX-WQVCFCJDSA-N 1 2 334.372 1.962 20 5 EDBDLO Cc1nc(N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000804613931 593427431 /nfs/dbraw/zinc/42/74/31/593427431.db2.gz QSBDZLFPQIZUQW-UHFFFAOYSA-N 1 2 344.331 1.928 20 5 EDBDLO Nc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000804646084 593429608 /nfs/dbraw/zinc/42/96/08/593429608.db2.gz NBSQSOYZBMWCFE-OAHLLOKOSA-N 1 2 347.375 1.342 20 5 EDBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1CCC2(CCO2)CC1 ZINC000840066612 593460993 /nfs/dbraw/zinc/46/09/93/593460993.db2.gz WHQAAOGFHQVDIO-MRXNPFEDSA-N 1 2 347.371 1.744 20 5 EDBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000824153297 593940283 /nfs/dbraw/zinc/94/02/83/593940283.db2.gz GZSAZSLYDNBARQ-INIZCTEOSA-N 1 2 345.355 1.566 20 5 EDBDLO Cc1ccc(CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1[N+](=O)[O-] ZINC000825641047 594210210 /nfs/dbraw/zinc/21/02/10/594210210.db2.gz OWSSQTAPVWGEOH-OAHLLOKOSA-N 1 2 331.376 1.556 20 5 EDBDLO CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(=O)O1 ZINC000827256008 594656764 /nfs/dbraw/zinc/65/67/64/594656764.db2.gz VZQDDHSTHYYTLX-NSHDSACASA-N 1 2 344.327 1.604 20 5 EDBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000832415977 594748838 /nfs/dbraw/zinc/74/88/38/594748838.db2.gz ZBZITULWXTWYAD-SNVBAGLBSA-N 1 2 333.435 1.761 20 5 EDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000832415977 594748839 /nfs/dbraw/zinc/74/88/39/594748839.db2.gz ZBZITULWXTWYAD-SNVBAGLBSA-N 1 2 333.435 1.761 20 5 EDBDLO O=C(N[C@H]1CCn2cc[nH+]c21)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833277680 594819269 /nfs/dbraw/zinc/81/92/69/594819269.db2.gz FWHJVPJFCQYIIJ-SMDDNHRTSA-N 1 2 341.327 1.546 20 5 EDBDLO NC(COC[C@@H]1CCCO1)=[NH+]OCCOc1ccc([N+](=O)[O-])cc1 ZINC000842656011 595160216 /nfs/dbraw/zinc/16/02/16/595160216.db2.gz KHTDDHWZKBDNGR-AWEZNQCLSA-N 1 2 339.348 1.668 20 5 EDBDLO NC(COC[C@@H]1CCCO1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000842659623 595162216 /nfs/dbraw/zinc/16/22/16/595162216.db2.gz ZISJMOHRDASJCV-LBPRGKRZSA-N 1 2 327.312 1.928 20 5 EDBDLO O=C(CCCC[NH+]1CCOCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837695224 595170627 /nfs/dbraw/zinc/17/06/27/595170627.db2.gz GVRHGNVKEYVDHU-UHFFFAOYSA-N 1 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C[C@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCNC1=O ZINC000853170816 595690314 /nfs/dbraw/zinc/69/03/14/595690314.db2.gz QGOPUAYYMSXSJM-MRXNPFEDSA-N 1 2 344.327 1.464 20 5 EDBDLO CCn1ncc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)n1 ZINC000858206508 595730126 /nfs/dbraw/zinc/73/01/26/595730126.db2.gz MWOIGISUBFXKHR-UHFFFAOYSA-N 1 2 349.347 1.048 20 5 EDBDLO C[N@H+](CCn1cccn1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853495604 595767576 /nfs/dbraw/zinc/76/75/76/595767576.db2.gz LVVMAMOHPRMKOW-UHFFFAOYSA-N 1 2 327.348 1.639 20 5 EDBDLO C[N@@H+](CCn1cccn1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853495604 595767578 /nfs/dbraw/zinc/76/75/78/595767578.db2.gz LVVMAMOHPRMKOW-UHFFFAOYSA-N 1 2 327.348 1.639 20 5 EDBDLO O=[N+]([O-])c1ccc2nc(N3CC(C[NH+]4CCOCC4)C3)sc2c1 ZINC000853640418 595843189 /nfs/dbraw/zinc/84/31/89/595843189.db2.gz FOQFHNGOCZOROC-UHFFFAOYSA-N 1 2 334.401 1.973 20 5 EDBDLO C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)COC(=O)N1 ZINC000861005101 595863120 /nfs/dbraw/zinc/86/31/20/595863120.db2.gz GSRFCFGDRVOSSI-OAHLLOKOSA-N 1 2 346.299 1.436 20 5 EDBDLO COC1(C(N)=[NH+]OCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000853742650 595869170 /nfs/dbraw/zinc/86/91/70/595869170.db2.gz UKAVUBWLROUITO-UHFFFAOYSA-N 1 2 339.348 1.668 20 5 EDBDLO CON(C)C(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000858833879 595901515 /nfs/dbraw/zinc/90/15/15/595901515.db2.gz JNIBIKWEMCPPCP-NSHDSACASA-N 1 2 345.359 1.602 20 5 EDBDLO Cc1cc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000856530868 596012038 /nfs/dbraw/zinc/01/20/38/596012038.db2.gz YYJQIRJRSRCBAM-UONOGXRCSA-N 1 2 341.371 1.653 20 5 EDBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122450023 596433380 /nfs/dbraw/zinc/43/33/80/596433380.db2.gz DGYIOOFWSIQIEM-UHFFFAOYSA-N 1 2 329.784 1.833 20 5 EDBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122450023 596433381 /nfs/dbraw/zinc/43/33/81/596433381.db2.gz DGYIOOFWSIQIEM-UHFFFAOYSA-N 1 2 329.784 1.833 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865594418 596621168 /nfs/dbraw/zinc/62/11/68/596621168.db2.gz PQHUFCMPVRVCAY-UHFFFAOYSA-N 1 2 342.346 1.918 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721009 597044371 /nfs/dbraw/zinc/04/43/71/597044371.db2.gz BBEKFCSXWHPBHG-MNOVXSKESA-N 1 2 347.396 1.833 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721009 597044374 /nfs/dbraw/zinc/04/43/74/597044374.db2.gz BBEKFCSXWHPBHG-MNOVXSKESA-N 1 2 347.396 1.833 20 5 EDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001005384013 708821598 /nfs/dbraw/zinc/82/15/98/708821598.db2.gz XXHOTJWOHLWZMD-HUUCEWRRSA-N 1 2 348.403 1.640 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C2(C)CCC2)CC1 ZINC001003443146 710352014 /nfs/dbraw/zinc/35/20/14/710352014.db2.gz IUPUUILAELFTOE-UHFFFAOYSA-N 1 2 335.408 1.599 20 5 EDBDLO C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000125698673 222597128 /nfs/dbraw/zinc/59/71/28/222597128.db2.gz GMCNDIHIOGWVLA-OCCSQVGLSA-N 1 2 332.364 1.488 20 5 EDBDLO CCc1nn(C)c(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000179567227 529767689 /nfs/dbraw/zinc/76/76/89/529767689.db2.gz NUQOEGRYRFZOFK-UHFFFAOYSA-N 1 2 346.391 1.734 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000177783025 231987383 /nfs/dbraw/zinc/98/73/83/231987383.db2.gz OUPYAJFNVHLPAZ-UHFFFAOYSA-N 1 2 331.376 1.315 20 5 EDBDLO Cc1cc(C(=O)NCC(=O)N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000562027950 306292681 /nfs/dbraw/zinc/29/26/81/306292681.db2.gz XEMLHXZOCQAQJU-SNVBAGLBSA-N 1 2 331.332 1.234 20 5 EDBDLO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000068958110 215349327 /nfs/dbraw/zinc/34/93/27/215349327.db2.gz MONXIFHMTDHRDP-CQSZACIVSA-N 1 2 349.387 1.540 20 5 EDBDLO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000104599650 219398737 /nfs/dbraw/zinc/39/87/37/219398737.db2.gz CHASVLJFXXYIGT-RYUDHWBXSA-N 1 2 337.376 1.442 20 5 EDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1cc[nH+]c1 ZINC000045161983 138112156 /nfs/dbraw/zinc/11/21/56/138112156.db2.gz OTAQCBBBHZWNHY-LBPRGKRZSA-N 1 2 345.359 1.116 20 5 EDBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000074511517 138236722 /nfs/dbraw/zinc/23/67/22/138236722.db2.gz SJXVOOLOKCZOFD-UHFFFAOYSA-N 1 2 347.415 1.899 20 5 EDBDLO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194817392 139000684 /nfs/dbraw/zinc/00/06/84/139000684.db2.gz TXVOCVXDNFMPST-CYBMUJFWSA-N 1 2 325.321 1.740 20 5 EDBDLO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194817392 139000685 /nfs/dbraw/zinc/00/06/85/139000685.db2.gz TXVOCVXDNFMPST-CYBMUJFWSA-N 1 2 325.321 1.740 20 5 EDBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248445855 139164301 /nfs/dbraw/zinc/16/43/01/139164301.db2.gz GSYABJUUBBHRSY-TZMCWYRMSA-N 1 2 347.375 1.300 20 5 EDBDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248445855 139164302 /nfs/dbraw/zinc/16/43/02/139164302.db2.gz GSYABJUUBBHRSY-TZMCWYRMSA-N 1 2 347.375 1.300 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](O)C1CCC1 ZINC000450918429 254701453 /nfs/dbraw/zinc/70/14/53/254701453.db2.gz IPUJQEDSLYXNNI-QGZVFWFLSA-N 1 2 335.404 2.000 20 5 EDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)Cn1cc[nH+]c1 ZINC000153772148 224155375 /nfs/dbraw/zinc/15/53/75/224155375.db2.gz NPWZCQFGBUTPCF-GFCCVEGCSA-N 1 2 331.376 1.923 20 5 EDBDLO C[C@H]1C[C@@H]1C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000488346091 255042779 /nfs/dbraw/zinc/04/27/79/255042779.db2.gz KFBWZVBZWAQYNS-QWHCGFSZSA-N 1 2 339.417 1.557 20 5 EDBDLO Cc1nn(CCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1[N+](=O)[O-] ZINC000263937335 139370654 /nfs/dbraw/zinc/37/06/54/139370654.db2.gz GWDPDAPSRDKSNR-ZDUSSCGKSA-N 1 2 346.391 1.928 20 5 EDBDLO Nc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000154528528 224266251 /nfs/dbraw/zinc/26/62/51/224266251.db2.gz WYGFLWQBMZCLED-LBPRGKRZSA-N 1 2 327.344 1.581 20 5 EDBDLO CCN1CC[NH+](CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000427912752 285316063 /nfs/dbraw/zinc/31/60/63/285316063.db2.gz MMKIWVKBIWVLBA-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO CC[NH+]1CCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000427912752 285316062 /nfs/dbraw/zinc/31/60/62/285316062.db2.gz MMKIWVKBIWVLBA-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000119175139 221259740 /nfs/dbraw/zinc/25/97/40/221259740.db2.gz AWTAGMPOYBMPTC-UHFFFAOYSA-N 1 2 340.361 1.169 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119269852 221280572 /nfs/dbraw/zinc/28/05/72/221280572.db2.gz OUISDZBEEHEMPH-HIFRSBDPSA-N 1 2 346.339 1.963 20 5 EDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119269852 221280575 /nfs/dbraw/zinc/28/05/75/221280575.db2.gz OUISDZBEEHEMPH-HIFRSBDPSA-N 1 2 346.339 1.963 20 5 EDBDLO COCC[NH+](CCOC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000270978021 140212442 /nfs/dbraw/zinc/21/24/42/140212442.db2.gz BPTDNFOMEIRYJL-UHFFFAOYSA-N 1 2 328.365 1.707 20 5 EDBDLO C[N@H+](CCc1cnccn1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000271405270 140291417 /nfs/dbraw/zinc/29/14/17/140291417.db2.gz XTGJMAGPUHNMNX-UHFFFAOYSA-N 1 2 341.371 1.448 20 5 EDBDLO C[N@@H+](CCc1cnccn1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000271405270 140291419 /nfs/dbraw/zinc/29/14/19/140291419.db2.gz XTGJMAGPUHNMNX-UHFFFAOYSA-N 1 2 341.371 1.448 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000331731932 141074720 /nfs/dbraw/zinc/07/47/20/141074720.db2.gz QSRRBIBXWZDTRJ-TZMCWYRMSA-N 1 2 332.360 1.052 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000331731932 141074722 /nfs/dbraw/zinc/07/47/22/141074722.db2.gz QSRRBIBXWZDTRJ-TZMCWYRMSA-N 1 2 332.360 1.052 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000332091437 141121299 /nfs/dbraw/zinc/12/12/99/141121299.db2.gz LTKZANNMXMNWPS-UHFFFAOYSA-N 1 2 339.417 1.719 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000332583203 141208236 /nfs/dbraw/zinc/20/82/36/141208236.db2.gz BLKMIOIUYDFQOT-UHFFFAOYSA-N 1 2 338.345 1.004 20 5 EDBDLO Nc1c(C(=O)NCC2CC[NH+](CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000572167185 306582672 /nfs/dbraw/zinc/58/26/72/306582672.db2.gz UIKVBNXKWYVAKZ-UHFFFAOYSA-N 1 2 342.346 1.884 20 5 EDBDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344741117 143005728 /nfs/dbraw/zinc/00/57/28/143005728.db2.gz QBRPHFXDQNTGDC-HUUCEWRRSA-N 1 2 347.375 1.862 20 5 EDBDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344741117 143005729 /nfs/dbraw/zinc/00/57/29/143005729.db2.gz QBRPHFXDQNTGDC-HUUCEWRRSA-N 1 2 347.375 1.862 20 5 EDBDLO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[N@@H+]1C ZINC000345034490 143041779 /nfs/dbraw/zinc/04/17/79/143041779.db2.gz OPSWVLHIOFXJNY-PWSUYJOCSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[N@H+]1C ZINC000345034490 143041780 /nfs/dbraw/zinc/04/17/80/143041780.db2.gz OPSWVLHIOFXJNY-PWSUYJOCSA-N 1 2 327.406 1.893 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000345654109 143116931 /nfs/dbraw/zinc/11/69/31/143116931.db2.gz SWEUXAKAKLEXDA-UHFFFAOYSA-N 1 2 340.343 1.919 20 5 EDBDLO NC(=O)c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000345719975 143125331 /nfs/dbraw/zinc/12/53/31/143125331.db2.gz RJTCYJBNVRXVSH-ZDUSSCGKSA-N 1 2 328.328 1.746 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000369676534 155133560 /nfs/dbraw/zinc/13/35/60/155133560.db2.gz QGEVGOVPJOPCLD-UHFFFAOYSA-N 1 2 335.339 1.906 20 5 EDBDLO Cn1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000352722747 149130358 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1.699 20 5 EDBDLO COCCC(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355683377 150359107 /nfs/dbraw/zinc/35/91/07/150359107.db2.gz SEVPWZGJOXHPNP-UHFFFAOYSA-N 1 2 337.376 1.154 20 5 EDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccn2cc[nH+]c2c1 ZINC000357421586 151027251 /nfs/dbraw/zinc/02/72/51/151027251.db2.gz NJIFJXKMQQULDJ-UHFFFAOYSA-N 1 2 347.356 1.502 20 5 EDBDLO CC1(C)C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000358427817 151371202 /nfs/dbraw/zinc/37/12/02/151371202.db2.gz VQGNBVQDTVRCMK-UHFFFAOYSA-N 1 2 339.367 1.503 20 5 EDBDLO CC1(C)C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000358427817 151371206 /nfs/dbraw/zinc/37/12/06/151371206.db2.gz VQGNBVQDTVRCMK-UHFFFAOYSA-N 1 2 339.367 1.503 20 5 EDBDLO CCn1nccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000361371724 152375320 /nfs/dbraw/zinc/37/53/20/152375320.db2.gz YRGHMGVQCSWCFJ-UHFFFAOYSA-N 1 2 334.376 1.814 20 5 EDBDLO CCn1nccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000361371724 152375322 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338.339 1.589 20 5 EDBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377756176 447337237 /nfs/dbraw/zinc/33/72/37/447337237.db2.gz PIFXYGQUDPUVIY-QWHCGFSZSA-N 1 2 338.339 1.589 20 5 EDBDLO C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000422000515 304825761 /nfs/dbraw/zinc/82/57/61/304825761.db2.gz DLVTXIDTOPGPJS-DGCLKSJQSA-N 1 2 330.344 1.766 20 5 EDBDLO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000424991001 304943669 /nfs/dbraw/zinc/94/36/69/304943669.db2.gz NDNDPWDSRXFGAH-UHFFFAOYSA-N 1 2 337.376 1.483 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCC1=O ZINC000535724389 306014919 /nfs/dbraw/zinc/01/49/19/306014919.db2.gz KMOHXQHRLOYGSR-GFCCVEGCSA-N 1 2 334.376 1.476 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCCC1=O ZINC000535724389 306014920 /nfs/dbraw/zinc/01/49/20/306014920.db2.gz KMOHXQHRLOYGSR-GFCCVEGCSA-N 1 2 334.376 1.476 20 5 EDBDLO O=C(CCC(=O)N1CC(n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556162308 306208526 /nfs/dbraw/zinc/20/85/26/306208526.db2.gz PUXUUTHJOZJYEY-UHFFFAOYSA-N 1 2 328.328 1.838 20 5 EDBDLO CCOc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000046887479 441134954 /nfs/dbraw/zinc/13/49/54/441134954.db2.gz AMJOEKWKAQMDJQ-LBPRGKRZSA-N 1 2 337.376 1.444 20 5 EDBDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000047388211 441181205 /nfs/dbraw/zinc/18/12/05/441181205.db2.gz JSBNKCWJXPIATK-UHFFFAOYSA-N 1 2 348.403 1.267 20 5 EDBDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000047388211 441181208 /nfs/dbraw/zinc/18/12/08/441181208.db2.gz JSBNKCWJXPIATK-UHFFFAOYSA-N 1 2 348.403 1.267 20 5 EDBDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000104669844 441200930 /nfs/dbraw/zinc/20/09/30/441200930.db2.gz KCJYNQCFSKOXSX-CQSZACIVSA-N 1 2 334.376 1.158 20 5 EDBDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000104669844 441200933 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O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151746588 442115143 /nfs/dbraw/zinc/11/51/43/442115143.db2.gz QBDLPAQMSLPUNH-CQSZACIVSA-N 1 2 346.347 1.049 20 5 EDBDLO CCNC(=O)C[N@H+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000133483930 442420492 /nfs/dbraw/zinc/42/04/92/442420492.db2.gz XABAUPVTNBMSEP-AWEZNQCLSA-N 1 2 334.376 1.158 20 5 EDBDLO CCNC(=O)C[N@@H+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000133483930 442420494 /nfs/dbraw/zinc/42/04/94/442420494.db2.gz XABAUPVTNBMSEP-AWEZNQCLSA-N 1 2 334.376 1.158 20 5 EDBDLO CCc1n[nH]c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000178990499 442545856 /nfs/dbraw/zinc/54/58/56/442545856.db2.gz AJMHYUPFDOELHV-JTQLQIEISA-N 1 2 330.348 1.284 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000186339187 442514726 /nfs/dbraw/zinc/51/47/26/442514726.db2.gz SFUKUCFCHPHZRP-ZQHYZAEZSA-N 1 2 346.431 1.750 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135676741 442624712 /nfs/dbraw/zinc/62/47/12/442624712.db2.gz VAFPSNVFVKUPSB-HNNXBMFYSA-N 1 2 339.417 1.595 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135676741 442624719 /nfs/dbraw/zinc/62/47/19/442624719.db2.gz VAFPSNVFVKUPSB-HNNXBMFYSA-N 1 2 339.417 1.595 20 5 EDBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186883270 442624714 /nfs/dbraw/zinc/62/47/14/442624714.db2.gz BSXGKFUKIVLLEO-UHFFFAOYSA-N 1 2 340.299 1.206 20 5 EDBDLO Cc1noc(C)c1C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157949955 442630939 /nfs/dbraw/zinc/63/09/39/442630939.db2.gz VGIKACKRQYLOPW-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO Cc1noc(C)c1CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157949955 442630945 /nfs/dbraw/zinc/63/09/45/442630945.db2.gz VGIKACKRQYLOPW-UHFFFAOYSA-N 1 2 334.380 1.214 20 5 EDBDLO CN(C)c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000192759029 442684170 /nfs/dbraw/zinc/68/41/70/442684170.db2.gz BQXAXSZCHSQSMM-JTQLQIEISA-N 1 2 333.352 1.125 20 5 EDBDLO CN(C)c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000192759029 442684173 /nfs/dbraw/zinc/68/41/73/442684173.db2.gz BQXAXSZCHSQSMM-JTQLQIEISA-N 1 2 333.352 1.125 20 5 EDBDLO C[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000192634658 442671056 /nfs/dbraw/zinc/67/10/56/442671056.db2.gz NPLVTWVVZCXZOC-UHFFFAOYSA-N 1 2 346.343 1.646 20 5 EDBDLO C[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000192634658 442671057 /nfs/dbraw/zinc/67/10/57/442671057.db2.gz NPLVTWVVZCXZOC-UHFFFAOYSA-N 1 2 346.343 1.646 20 5 EDBDLO C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000193702536 442769447 /nfs/dbraw/zinc/76/94/47/442769447.db2.gz AYLKNOHRHCUBIJ-GWCFXTLKSA-N 1 2 331.332 1.615 20 5 EDBDLO CC1(C)CN=C(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)S1 ZINC000267907646 442783925 /nfs/dbraw/zinc/78/39/25/442783925.db2.gz DSPOTUWKZDTFIT-UHFFFAOYSA-N 1 2 338.437 1.290 20 5 EDBDLO Cn1c[nH+]cc1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000186770522 318552036 /nfs/dbraw/zinc/55/20/36/318552036.db2.gz NKEKKQMCWQZFIH-UHFFFAOYSA-N 1 2 329.360 1.220 20 5 EDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000189744445 443001890 /nfs/dbraw/zinc/00/18/90/443001890.db2.gz ZDCDPWBIBPMURN-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185115503 443140894 /nfs/dbraw/zinc/14/08/94/443140894.db2.gz RTTNQIBAPCQCDH-WYVULQQZSA-N 1 2 338.389 1.844 20 5 EDBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185115503 443140896 /nfs/dbraw/zinc/14/08/96/443140896.db2.gz RTTNQIBAPCQCDH-WYVULQQZSA-N 1 2 338.389 1.844 20 5 EDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000185767160 443253613 /nfs/dbraw/zinc/25/36/13/443253613.db2.gz XHSSKXXVEHCMAW-BUHFOSPRSA-N 1 2 333.388 1.789 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]CCn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000272552897 443361183 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349.387 1.626 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298523766 443791425 /nfs/dbraw/zinc/79/14/25/443791425.db2.gz WPLIASACCNORPJ-SNVBAGLBSA-N 1 2 340.361 1.167 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000288102975 443772361 /nfs/dbraw/zinc/77/23/61/443772361.db2.gz KAGUQPMHYSKNHH-UHFFFAOYSA-N 1 2 330.392 1.837 20 5 EDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000298779558 443866544 /nfs/dbraw/zinc/86/65/44/443866544.db2.gz FIXREXNNIXUQEP-SNVBAGLBSA-N 1 2 337.332 1.037 20 5 EDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000298779558 443866547 /nfs/dbraw/zinc/86/65/47/443866547.db2.gz FIXREXNNIXUQEP-SNVBAGLBSA-N 1 2 337.332 1.037 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281460522 443918242 /nfs/dbraw/zinc/91/82/42/443918242.db2.gz VHDFXOSTRGZBQB-UTUOFQBUSA-N 1 2 348.359 1.352 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281460522 443918246 /nfs/dbraw/zinc/91/82/46/443918246.db2.gz VHDFXOSTRGZBQB-UTUOFQBUSA-N 1 2 348.359 1.352 20 5 EDBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000281486245 443923956 /nfs/dbraw/zinc/92/39/56/443923956.db2.gz DNOLXQPDFVOQQM-LBPRGKRZSA-N 1 2 332.364 1.762 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000299425892 444042717 /nfs/dbraw/zinc/04/27/17/444042717.db2.gz HMTIWUKTEBPJHM-GFCCVEGCSA-N 1 2 325.390 1.134 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000299425892 444042722 /nfs/dbraw/zinc/04/27/22/444042722.db2.gz HMTIWUKTEBPJHM-GFCCVEGCSA-N 1 2 325.390 1.134 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000289840178 444210006 /nfs/dbraw/zinc/21/00/06/444210006.db2.gz PQAIDAYPQFAFJZ-CQSZACIVSA-N 1 2 335.408 1.525 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000289840178 444210007 /nfs/dbraw/zinc/21/00/07/444210007.db2.gz PQAIDAYPQFAFJZ-CQSZACIVSA-N 1 2 335.408 1.525 20 5 EDBDLO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000302366578 444211988 /nfs/dbraw/zinc/21/19/88/444211988.db2.gz DOEXOMMVZODWBQ-VIFPVBQESA-N 1 2 345.197 1.255 20 5 EDBDLO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000302366578 444211990 /nfs/dbraw/zinc/21/19/90/444211990.db2.gz DOEXOMMVZODWBQ-VIFPVBQESA-N 1 2 345.197 1.255 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316027714 444308124 /nfs/dbraw/zinc/30/81/24/444308124.db2.gz CDNFOPBOJMSXQL-CABZTGNLSA-N 1 2 331.166 1.142 20 5 EDBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316027714 444308127 /nfs/dbraw/zinc/30/81/27/444308127.db2.gz CDNFOPBOJMSXQL-CABZTGNLSA-N 1 2 331.166 1.142 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000343722745 444546405 /nfs/dbraw/zinc/54/64/05/444546405.db2.gz MQHQVRDCCRGUON-OCCSQVGLSA-N 1 2 332.360 1.895 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000343722745 444546408 /nfs/dbraw/zinc/54/64/08/444546408.db2.gz MQHQVRDCCRGUON-OCCSQVGLSA-N 1 2 332.360 1.895 20 5 EDBDLO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)[nH+]c2c1 ZINC000342260408 444595686 /nfs/dbraw/zinc/59/56/86/444595686.db2.gz CZPQSQGWUYPWHF-UHFFFAOYSA-N 1 2 327.300 1.582 20 5 EDBDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000342371585 444661337 /nfs/dbraw/zinc/66/13/37/444661337.db2.gz WVVBDAYSMAUNHV-UHFFFAOYSA-N 1 2 344.327 1.562 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000344112128 444787334 /nfs/dbraw/zinc/78/73/34/444787334.db2.gz PIMLGNNHXBEQHL-UHFFFAOYSA-N 1 2 344.327 1.296 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338998287 444978199 /nfs/dbraw/zinc/97/81/99/444978199.db2.gz HARDYEHUPBNQOZ-HNNXBMFYSA-N 1 2 342.323 1.053 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000338998287 444978201 /nfs/dbraw/zinc/97/82/01/444978201.db2.gz HARDYEHUPBNQOZ-HNNXBMFYSA-N 1 2 342.323 1.053 20 5 EDBDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339190677 445081570 /nfs/dbraw/zinc/08/15/70/445081570.db2.gz YJMAWTDNJSBSIX-UHFFFAOYSA-N 1 2 343.405 1.062 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342081623 445161830 /nfs/dbraw/zinc/16/18/30/445161830.db2.gz YRTVJIJXBRNXSS-CYBMUJFWSA-N 1 2 343.387 1.572 20 5 EDBDLO C[C@@H]1[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343476962 445230170 /nfs/dbraw/zinc/23/01/70/445230170.db2.gz XDDKFDDRRRLCEU-RKDXNWHRSA-N 1 2 333.435 1.954 20 5 EDBDLO C[C@@H]1[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343476962 445230171 /nfs/dbraw/zinc/23/01/71/445230171.db2.gz XDDKFDDRRRLCEU-RKDXNWHRSA-N 1 2 333.435 1.954 20 5 EDBDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351751629 445308481 /nfs/dbraw/zinc/30/84/81/445308481.db2.gz CDUXTTNQDKPICE-AWEZNQCLSA-N 1 2 332.303 1.931 20 5 EDBDLO COC(=O)C[C@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccn1 ZINC000351839173 445339294 /nfs/dbraw/zinc/33/92/94/445339294.db2.gz ZNYMFNDTOPVOQX-HNNXBMFYSA-N 1 2 333.348 1.291 20 5 EDBDLO CN(C)S(=O)(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000351889108 445357328 /nfs/dbraw/zinc/35/73/28/445357328.db2.gz JMBSXDUQNSOQHW-UHFFFAOYSA-N 1 2 327.406 1.451 20 5 EDBDLO CN(C)S(=O)(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000351889108 445357333 /nfs/dbraw/zinc/35/73/33/445357333.db2.gz JMBSXDUQNSOQHW-UHFFFAOYSA-N 1 2 327.406 1.451 20 5 EDBDLO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cn(C)nn1 ZINC000359652383 445357569 /nfs/dbraw/zinc/35/75/69/445357569.db2.gz MGZYHFJIJPFCQP-UHFFFAOYSA-N 1 2 335.364 1.633 20 5 EDBDLO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cn(C)nn1 ZINC000359652383 445357571 /nfs/dbraw/zinc/35/75/71/445357571.db2.gz MGZYHFJIJPFCQP-UHFFFAOYSA-N 1 2 335.364 1.633 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000359984712 445514711 /nfs/dbraw/zinc/51/47/11/445514711.db2.gz CKTPKJXYBZRURK-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000359984712 445514714 /nfs/dbraw/zinc/51/47/14/445514714.db2.gz CKTPKJXYBZRURK-CHWSQXEVSA-N 1 2 341.433 1.925 20 5 EDBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349167237 445525613 /nfs/dbraw/zinc/52/56/13/445525613.db2.gz LMUCOPXCBWSPAE-NSHDSACASA-N 1 2 330.348 1.059 20 5 EDBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349167237 445525618 /nfs/dbraw/zinc/52/56/18/445525618.db2.gz LMUCOPXCBWSPAE-NSHDSACASA-N 1 2 330.348 1.059 20 5 EDBDLO Cn1ccc(N2CC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)n1 ZINC000360091622 445562032 /nfs/dbraw/zinc/56/20/32/445562032.db2.gz FPXNECYUEFGRQQ-ZDUSSCGKSA-N 1 2 349.778 1.877 20 5 EDBDLO CCOC[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353523562 445641250 /nfs/dbraw/zinc/64/12/50/445641250.db2.gz XTYSDWOUXUAQGY-CABCVRRESA-N 1 2 334.376 1.405 20 5 EDBDLO Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000360248479 445655406 /nfs/dbraw/zinc/65/54/06/445655406.db2.gz GBECGKUGIBKKIS-UHFFFAOYSA-N 1 2 345.446 1.230 20 5 EDBDLO CC(=O)N1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353613100 445676659 /nfs/dbraw/zinc/67/66/59/445676659.db2.gz MDJBLVYZBQFXFL-HOCLYGCPSA-N 1 2 343.387 1.628 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000353589068 445668886 /nfs/dbraw/zinc/66/88/86/445668886.db2.gz FWOZMSFKBPWCNR-GDBMZVCRSA-N 1 2 332.360 1.159 20 5 EDBDLO CCc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491524 445828083 /nfs/dbraw/zinc/82/80/83/445828083.db2.gz XBXRYNJBNSCDML-QWHCGFSZSA-N 1 2 338.433 1.405 20 5 EDBDLO CCc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491524 445828087 /nfs/dbraw/zinc/82/80/87/445828087.db2.gz XBXRYNJBNSCDML-QWHCGFSZSA-N 1 2 338.433 1.405 20 5 EDBDLO NC(=O)c1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)on1 ZINC000350457253 445832180 /nfs/dbraw/zinc/83/21/80/445832180.db2.gz IDRZRCOCZVBRCR-UHFFFAOYSA-N 1 2 342.258 1.573 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350337655 445813467 /nfs/dbraw/zinc/81/34/67/445813467.db2.gz IIIUASYDJDAUHW-MFKMUULPSA-N 1 2 333.348 1.909 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350337655 445813471 /nfs/dbraw/zinc/81/34/71/445813471.db2.gz IIIUASYDJDAUHW-MFKMUULPSA-N 1 2 333.348 1.909 20 5 EDBDLO COCC[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358895463 445837654 /nfs/dbraw/zinc/83/76/54/445837654.db2.gz NOMGHNQLKTXYBT-UHFFFAOYSA-N 1 2 339.417 1.478 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350873640 445937117 /nfs/dbraw/zinc/93/71/17/445937117.db2.gz ZJOWZGXFKFWSTR-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000350873640 445937123 /nfs/dbraw/zinc/93/71/23/445937123.db2.gz ZJOWZGXFKFWSTR-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO CCc1nn(C)c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000369082913 445917955 /nfs/dbraw/zinc/91/79/55/445917955.db2.gz GZOOCERURJAGAO-ZDUSSCGKSA-N 1 2 334.380 1.564 20 5 EDBDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369279251 446044708 /nfs/dbraw/zinc/04/47/08/446044708.db2.gz WBGNHVNUBOLHNU-AWEZNQCLSA-N 1 2 346.431 1.802 20 5 EDBDLO Cc1c(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000359296649 446131321 /nfs/dbraw/zinc/13/13/21/446131321.db2.gz CLECGKXYWGLBJE-ZDUSSCGKSA-N 1 2 329.360 1.914 20 5 EDBDLO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366554390 446260662 /nfs/dbraw/zinc/26/06/62/446260662.db2.gz JYZZPLSDBVMKOB-AWEZNQCLSA-N 1 2 334.376 1.888 20 5 EDBDLO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366554390 446260666 /nfs/dbraw/zinc/26/06/66/446260666.db2.gz JYZZPLSDBVMKOB-AWEZNQCLSA-N 1 2 334.376 1.888 20 5 EDBDLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000366640545 446290490 /nfs/dbraw/zinc/29/04/90/446290490.db2.gz KWVNILOFTWGLQU-GFCCVEGCSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000366640545 446290494 /nfs/dbraw/zinc/29/04/94/446290494.db2.gz KWVNILOFTWGLQU-GFCCVEGCSA-N 1 2 325.752 1.643 20 5 EDBDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C1CCC1 ZINC000365804817 446349774 /nfs/dbraw/zinc/34/97/74/446349774.db2.gz GSMWTCDNPIRQPR-ZDUSSCGKSA-N 1 2 348.359 1.994 20 5 EDBDLO O=C(N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C1CCC1 ZINC000365804817 446349775 /nfs/dbraw/zinc/34/97/75/446349775.db2.gz GSMWTCDNPIRQPR-ZDUSSCGKSA-N 1 2 348.359 1.994 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])CC2 ZINC000374647517 446381593 /nfs/dbraw/zinc/38/15/93/446381593.db2.gz NVJJAHGNYBOJRR-UHFFFAOYSA-N 1 2 329.360 1.578 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000371317806 446769849 /nfs/dbraw/zinc/76/98/49/446769849.db2.gz DUZBZCKOGUGXBS-LLVKDONJSA-N 1 2 336.373 1.507 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375572154 446899276 /nfs/dbraw/zinc/89/92/76/446899276.db2.gz PMPGVIVHPKDXET-MEDUHNTESA-N 1 2 348.359 1.496 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375572154 446899284 /nfs/dbraw/zinc/89/92/84/446899284.db2.gz PMPGVIVHPKDXET-MEDUHNTESA-N 1 2 348.359 1.496 20 5 EDBDLO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)C1 ZINC000368518068 446915552 /nfs/dbraw/zinc/91/55/52/446915552.db2.gz GUIOBLPKGDYMJN-AWEZNQCLSA-N 1 2 348.403 1.152 20 5 EDBDLO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)C1 ZINC000368518068 446915559 /nfs/dbraw/zinc/91/55/59/446915559.db2.gz GUIOBLPKGDYMJN-AWEZNQCLSA-N 1 2 348.403 1.152 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000412343303 446942325 /nfs/dbraw/zinc/94/23/25/446942325.db2.gz PKTGQMGHSDLENZ-YLFCFFPRSA-N 1 2 345.399 1.630 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000412343303 446942330 /nfs/dbraw/zinc/94/23/30/446942330.db2.gz PKTGQMGHSDLENZ-YLFCFFPRSA-N 1 2 345.399 1.630 20 5 EDBDLO O=C1NCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC1CCCCC1 ZINC000421037885 447005811 /nfs/dbraw/zinc/00/58/11/447005811.db2.gz KWULLNSODUCCMO-OAHLLOKOSA-N 1 2 335.408 1.562 20 5 EDBDLO O=C1NCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC1CCCCC1 ZINC000421037885 447005815 /nfs/dbraw/zinc/00/58/15/447005815.db2.gz KWULLNSODUCCMO-OAHLLOKOSA-N 1 2 335.408 1.562 20 5 EDBDLO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000375981033 447190044 /nfs/dbraw/zinc/19/00/44/447190044.db2.gz NZHBFLHFJMFOJK-AWEZNQCLSA-N 1 2 328.372 2.418 20 5 EDBDLO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1C[N@H+](C2CC2)CCO1 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CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000602434718 449584230 /nfs/dbraw/zinc/58/42/30/449584230.db2.gz QWHRIUWPZSRWOX-ZDUSSCGKSA-N 1 2 332.360 1.990 20 5 EDBDLO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000602434718 449584235 /nfs/dbraw/zinc/58/42/35/449584235.db2.gz QWHRIUWPZSRWOX-ZDUSSCGKSA-N 1 2 332.360 1.990 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000596666653 449594545 /nfs/dbraw/zinc/59/45/45/449594545.db2.gz KFKWDOQOXACJEU-VXGBXAGGSA-N 1 2 329.360 1.660 20 5 EDBDLO CN1CC[NH+](CCn2cc(COc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000594643218 449602973 /nfs/dbraw/zinc/60/29/73/449602973.db2.gz FAQOSEDEJZQANI-UHFFFAOYSA-N 1 2 346.391 1.013 20 5 EDBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749778 449665519 /nfs/dbraw/zinc/66/55/19/449665519.db2.gz YVZZRYNNWKKRHV-LLVKDONJSA-N 1 2 328.394 1.000 20 5 EDBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749778 449665525 /nfs/dbraw/zinc/66/55/25/449665525.db2.gz YVZZRYNNWKKRHV-LLVKDONJSA-N 1 2 328.394 1.000 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000598917038 449645599 /nfs/dbraw/zinc/64/55/99/449645599.db2.gz QJPCMNMTIXNONH-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000598917038 449645602 /nfs/dbraw/zinc/64/56/02/449645602.db2.gz QJPCMNMTIXNONH-CYBMUJFWSA-N 1 2 348.403 1.784 20 5 EDBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594794233 449704809 /nfs/dbraw/zinc/70/48/09/449704809.db2.gz ZMWWPKRWKHXTRL-SNVBAGLBSA-N 1 2 345.396 1.885 20 5 EDBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594794233 449704813 /nfs/dbraw/zinc/70/48/13/449704813.db2.gz ZMWWPKRWKHXTRL-SNVBAGLBSA-N 1 2 345.396 1.885 20 5 EDBDLO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])NS(C)(=O)=O ZINC000599043040 449708606 /nfs/dbraw/zinc/70/86/06/449708606.db2.gz DQUCQEXNXJVOGG-UHFFFAOYSA-N 1 2 338.389 1.883 20 5 EDBDLO Cc1cn2c([nH+]1)CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CC2 ZINC000601142148 449712765 /nfs/dbraw/zinc/71/27/65/449712765.db2.gz WBJQLPMIPKWBAS-UHFFFAOYSA-N 1 2 330.270 1.872 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175709 449780284 /nfs/dbraw/zinc/78/02/84/449780284.db2.gz IWCVNEILIKJLPW-SECBINFHSA-N 1 2 330.182 1.836 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175709 449780288 /nfs/dbraw/zinc/78/02/88/449780288.db2.gz IWCVNEILIKJLPW-SECBINFHSA-N 1 2 330.182 1.836 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(O)(C(F)F)CC1)OCCO2 ZINC000614662857 449747131 /nfs/dbraw/zinc/74/71/31/449747131.db2.gz ABBOOBILVKCKNR-UHFFFAOYSA-N 1 2 344.314 1.958 20 5 EDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599130773 449753353 /nfs/dbraw/zinc/75/33/53/449753353.db2.gz KSRZOSCVLXCQNO-MRXNPFEDSA-N 1 2 339.367 1.762 20 5 EDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599130773 449753357 /nfs/dbraw/zinc/75/33/57/449753357.db2.gz KSRZOSCVLXCQNO-MRXNPFEDSA-N 1 2 339.367 1.762 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602950262 449952238 /nfs/dbraw/zinc/95/22/38/449952238.db2.gz JJURHYCLSVGNAD-HOCLYGCPSA-N 1 2 338.360 1.626 20 5 EDBDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000602950262 449952244 /nfs/dbraw/zinc/95/22/44/449952244.db2.gz JJURHYCLSVGNAD-HOCLYGCPSA-N 1 2 338.360 1.626 20 5 EDBDLO Cc1c(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000595219730 449954503 /nfs/dbraw/zinc/95/45/03/449954503.db2.gz OXFSALWTDZFBTQ-JTQLQIEISA-N 1 2 331.332 1.453 20 5 EDBDLO Cc1noc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000599444743 449981408 /nfs/dbraw/zinc/98/14/08/449981408.db2.gz DQCHWGORIGZSSH-OAHLLOKOSA-N 1 2 343.347 1.496 20 5 EDBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000595304402 450016866 /nfs/dbraw/zinc/01/68/66/450016866.db2.gz DOOGYFHMGRQBPZ-LBPRGKRZSA-N 1 2 338.364 1.105 20 5 EDBDLO Cc1noc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1[N+](=O)[O-] ZINC000595304402 450016868 /nfs/dbraw/zinc/01/68/68/450016868.db2.gz DOOGYFHMGRQBPZ-LBPRGKRZSA-N 1 2 338.364 1.105 20 5 EDBDLO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423263 450132203 /nfs/dbraw/zinc/13/22/03/450132203.db2.gz KSCBAAQKSIQBPU-LYRGGWFBSA-N 1 2 330.388 1.795 20 5 EDBDLO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423263 450132207 /nfs/dbraw/zinc/13/22/07/450132207.db2.gz KSCBAAQKSIQBPU-LYRGGWFBSA-N 1 2 330.388 1.795 20 5 EDBDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000601741461 450206471 /nfs/dbraw/zinc/20/64/71/450206471.db2.gz VXRAIEUYNCPDIS-NSHDSACASA-N 1 2 327.768 1.651 20 5 EDBDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000601741461 450206478 /nfs/dbraw/zinc/20/64/78/450206478.db2.gz VXRAIEUYNCPDIS-NSHDSACASA-N 1 2 327.768 1.651 20 5 EDBDLO O=[N+]([O-])c1cccc(OCCn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603420294 450293306 /nfs/dbraw/zinc/29/33/06/450293306.db2.gz IWKCQLXHYDEKSH-UHFFFAOYSA-N 1 2 332.360 1.703 20 5 EDBDLO COc1cc(CNc2ccc(-n3cncn3)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000616206027 450355196 /nfs/dbraw/zinc/35/51/96/450355196.db2.gz IEIOOEIVTWQFFB-UHFFFAOYSA-N 1 2 342.315 1.897 20 5 EDBDLO O=C(NC1(CO)CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272421823 490996324 /nfs/dbraw/zinc/99/63/24/490996324.db2.gz NWCIWUZMKKRZKE-UHFFFAOYSA-N 1 2 346.343 1.052 20 5 EDBDLO O=C(NCc1cccc(=O)[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537835870 491002161 /nfs/dbraw/zinc/00/21/61/491002161.db2.gz FPLLGMICYCFIGA-UHFFFAOYSA-N 1 2 339.311 1.811 20 5 EDBDLO Cc1nsc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000177842010 534507744 /nfs/dbraw/zinc/50/77/44/534507744.db2.gz IQVWFMUBNIHGQO-UHFFFAOYSA-N 1 2 349.416 1.956 20 5 EDBDLO CC[N@@H+]1CCC[C@H]1CN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271392483 535592993 /nfs/dbraw/zinc/59/29/93/535592993.db2.gz MFQJBOXSCBCSCN-JTQLQIEISA-N 1 2 347.462 1.980 20 5 EDBDLO CC[N@H+]1CCC[C@H]1CN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271392483 535592996 /nfs/dbraw/zinc/59/29/96/535592996.db2.gz MFQJBOXSCBCSCN-JTQLQIEISA-N 1 2 347.462 1.980 20 5 EDBDLO O=C(CC[N@@H+]1CCc2n[nH]nc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000759522016 580007935 /nfs/dbraw/zinc/00/79/35/580007935.db2.gz UOUGOCSGLYSCDC-UHFFFAOYSA-N 1 2 334.311 1.239 20 5 EDBDLO O=C(CC[N@H+]1CCc2n[nH]nc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000759522016 580007936 /nfs/dbraw/zinc/00/79/36/580007936.db2.gz UOUGOCSGLYSCDC-UHFFFAOYSA-N 1 2 334.311 1.239 20 5 EDBDLO O=C(OC[C@H]1COCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729099891 578558644 /nfs/dbraw/zinc/55/86/44/578558644.db2.gz MAKOXTJIOAPZMC-GFCCVEGCSA-N 1 2 333.300 1.353 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000729384987 578566844 /nfs/dbraw/zinc/56/68/44/578566844.db2.gz JULLMQUBFFTAQB-LBPRGKRZSA-N 1 2 336.392 1.111 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000729384987 578566845 /nfs/dbraw/zinc/56/68/45/578566845.db2.gz JULLMQUBFFTAQB-LBPRGKRZSA-N 1 2 336.392 1.111 20 5 EDBDLO C[C@H]1C(=O)NCCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000788046557 578718617 /nfs/dbraw/zinc/71/86/17/578718617.db2.gz FYELAFRNJWGDQS-LBPRGKRZSA-N 1 2 329.360 1.626 20 5 EDBDLO C[C@H]1C(=O)NCCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000788046557 578718619 /nfs/dbraw/zinc/71/86/19/578718619.db2.gz FYELAFRNJWGDQS-LBPRGKRZSA-N 1 2 329.360 1.626 20 5 EDBDLO CCc1cc(NCC[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000735075798 578855575 /nfs/dbraw/zinc/85/55/75/578855575.db2.gz YVGPKOALCCIUOE-QHCPKHFHSA-N 1 2 334.401 1.827 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493955 578888058 /nfs/dbraw/zinc/88/80/58/578888058.db2.gz UHWCSUGNNXVQTD-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493955 578888059 /nfs/dbraw/zinc/88/80/59/578888059.db2.gz UHWCSUGNNXVQTD-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO O=[N+]([O-])c1cnn(Cc2nc(-c3cccnc3-n3cc[nH+]c3)no2)c1 ZINC000761717453 580060963 /nfs/dbraw/zinc/06/09/63/580060963.db2.gz UDIYMRJZAGCWEA-UHFFFAOYSA-N 1 2 338.287 1.470 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000761719874 580061037 /nfs/dbraw/zinc/06/10/37/580061037.db2.gz OPHHBQLIGPAPOQ-UHFFFAOYSA-N 1 2 338.287 1.626 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081280 579536805 /nfs/dbraw/zinc/53/68/05/579536805.db2.gz GDLHZFQPFHLNRM-AWEZNQCLSA-N 1 2 335.360 1.869 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081280 579536807 /nfs/dbraw/zinc/53/68/07/579536807.db2.gz GDLHZFQPFHLNRM-AWEZNQCLSA-N 1 2 335.360 1.869 20 5 EDBDLO NC(=O)C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000746473359 579596704 /nfs/dbraw/zinc/59/67/04/579596704.db2.gz RZPJZUXIMSFRNR-UHFFFAOYSA-N 1 2 331.332 1.533 20 5 EDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754491763 579904335 /nfs/dbraw/zinc/90/43/35/579904335.db2.gz NQRCGTINJMJCTL-UHFFFAOYSA-N 1 2 327.300 1.720 20 5 EDBDLO Cn1c[nH+]cc1COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000764664819 580126106 /nfs/dbraw/zinc/12/61/06/580126106.db2.gz XRCCFGHEZMBQKL-UHFFFAOYSA-N 1 2 327.300 1.871 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000774914806 580377410 /nfs/dbraw/zinc/37/74/10/580377410.db2.gz RMOYMUIKIGYGHP-LBPRGKRZSA-N 1 2 327.362 1.803 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000774914806 580377411 /nfs/dbraw/zinc/37/74/11/580377411.db2.gz RMOYMUIKIGYGHP-LBPRGKRZSA-N 1 2 327.362 1.803 20 5 EDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000779566038 580490014 /nfs/dbraw/zinc/49/00/14/580490014.db2.gz ZTFRHLWJTWCTFG-GFCCVEGCSA-N 1 2 332.316 1.071 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000780768189 580533359 /nfs/dbraw/zinc/53/33/59/580533359.db2.gz PGIAUJYQMABCRR-CQSZACIVSA-N 1 2 332.360 1.770 20 5 EDBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000781446625 580549958 /nfs/dbraw/zinc/54/99/58/580549958.db2.gz DAIPOKXSZOEKQE-CYBMUJFWSA-N 1 2 332.364 1.845 20 5 EDBDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782592851 580579216 /nfs/dbraw/zinc/57/92/16/580579216.db2.gz AVCWROQDGZZOBN-JTQLQIEISA-N 1 2 338.339 1.225 20 5 EDBDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782592851 580579217 /nfs/dbraw/zinc/57/92/17/580579217.db2.gz AVCWROQDGZZOBN-JTQLQIEISA-N 1 2 338.339 1.225 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783566084 580601411 /nfs/dbraw/zinc/60/14/11/580601411.db2.gz FVADRJFMERBBRU-NSHDSACASA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783566084 580601412 /nfs/dbraw/zinc/60/14/12/580601412.db2.gz FVADRJFMERBBRU-NSHDSACASA-N 1 2 347.824 1.762 20 5 EDBDLO O=C(OCC[C@H]1CCOC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676180 580649875 /nfs/dbraw/zinc/64/98/75/580649875.db2.gz ACWBXYXJUNDNCP-LLVKDONJSA-N 1 2 345.311 1.891 20 5 EDBDLO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000794697337 580903337 /nfs/dbraw/zinc/90/33/37/580903337.db2.gz CZLXJWAHIBUCEA-BLLLJJGKSA-N 1 2 332.360 1.782 20 5 EDBDLO C[C@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000794697337 580903338 /nfs/dbraw/zinc/90/33/38/580903338.db2.gz CZLXJWAHIBUCEA-BLLLJJGKSA-N 1 2 332.360 1.782 20 5 EDBDLO Cc1nn(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000799140234 581018389 /nfs/dbraw/zinc/01/83/89/581018389.db2.gz CVLJLBIURNZVMA-UHFFFAOYSA-N 1 2 349.313 1.448 20 5 EDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799294403 581024178 /nfs/dbraw/zinc/02/41/78/581024178.db2.gz CVOHMKRTQABWMU-KRWDZBQOSA-N 1 2 346.362 1.985 20 5 EDBDLO C[C@H]1C[N@H+](CCOC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000800124604 581043961 /nfs/dbraw/zinc/04/39/61/581043961.db2.gz IWSNQTNSYHNOEP-LBPRGKRZSA-N 1 2 337.376 1.538 20 5 EDBDLO C[C@H]1C[N@@H+](CCOC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000800124604 581043962 /nfs/dbraw/zinc/04/39/62/581043962.db2.gz IWSNQTNSYHNOEP-LBPRGKRZSA-N 1 2 337.376 1.538 20 5 EDBDLO CCN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1c1[nH+]ccn1C ZINC000800871017 581060444 /nfs/dbraw/zinc/06/04/44/581060444.db2.gz CUHGJDPWYCBRLP-HNNXBMFYSA-N 1 2 330.392 1.794 20 5 EDBDLO Cc1nnc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1C ZINC000801516774 581078828 /nfs/dbraw/zinc/07/88/28/581078828.db2.gz RTXCYZNHADVJKW-UHFFFAOYSA-N 1 2 348.382 1.489 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000892470301 591038758 /nfs/dbraw/zinc/03/87/58/591038758.db2.gz YQLIDMWPYRHBJD-LBPRGKRZSA-N 1 2 349.822 1.876 20 5 EDBDLO CN1CC[N@@H+](C)[C@@H](CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000892470301 591038761 /nfs/dbraw/zinc/03/87/61/591038761.db2.gz YQLIDMWPYRHBJD-LBPRGKRZSA-N 1 2 349.822 1.876 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898490449 591375072 /nfs/dbraw/zinc/37/50/72/591375072.db2.gz IQEISGHUQBMFKG-GFCCVEGCSA-N 1 2 325.340 1.767 20 5 EDBDLO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898490449 591375077 /nfs/dbraw/zinc/37/50/77/591375077.db2.gz IQEISGHUQBMFKG-GFCCVEGCSA-N 1 2 325.340 1.767 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000895247837 591681026 /nfs/dbraw/zinc/68/10/26/591681026.db2.gz WZWBACWHTGUWNP-XHDPSFHLSA-N 1 2 336.392 1.428 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000895247837 591681028 /nfs/dbraw/zinc/68/10/28/591681028.db2.gz WZWBACWHTGUWNP-XHDPSFHLSA-N 1 2 336.392 1.428 20 5 EDBDLO C[N@@H+]1CCOC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000895610513 591822477 /nfs/dbraw/zinc/82/24/77/591822477.db2.gz VMRNLTJOINKAJL-CQSZACIVSA-N 1 2 331.319 1.637 20 5 EDBDLO C[N@H+]1CCOC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000895610513 591822480 /nfs/dbraw/zinc/82/24/80/591822480.db2.gz VMRNLTJOINKAJL-CQSZACIVSA-N 1 2 331.319 1.637 20 5 EDBDLO C[C@]12CSC[C@H]1C[N@H+](CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 ZINC000902674871 592041191 /nfs/dbraw/zinc/04/11/91/592041191.db2.gz XGBHOJKUPZPTBG-HWPZZCPQSA-N 1 2 347.396 1.833 20 5 EDBDLO C[C@]12CSC[C@H]1C[N@@H+](CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 ZINC000902674871 592041195 /nfs/dbraw/zinc/04/11/95/592041195.db2.gz XGBHOJKUPZPTBG-HWPZZCPQSA-N 1 2 347.396 1.833 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c([N+](=O)[O-])s1 ZINC000903208813 592138757 /nfs/dbraw/zinc/13/87/57/592138757.db2.gz ZJZPHCZGDHNFAJ-SNVBAGLBSA-N 1 2 331.419 1.433 20 5 EDBDLO CNC(=O)C[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807926382 593210229 /nfs/dbraw/zinc/21/02/29/593210229.db2.gz RBNPQSGJEFJSJG-UHFFFAOYSA-N 1 2 334.376 1.420 20 5 EDBDLO CC1(C)COC(=O)[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000808104851 593223036 /nfs/dbraw/zinc/22/30/36/593223036.db2.gz QFPLJPMDSJEZDC-ZDUSSCGKSA-N 1 2 344.327 1.462 20 5 EDBDLO Cn1cc[nH+]c1CCCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000802788367 593279187 /nfs/dbraw/zinc/27/91/87/593279187.db2.gz WVTQATLQERBVOL-UHFFFAOYSA-N 1 2 343.343 1.854 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000811459642 593471357 /nfs/dbraw/zinc/47/13/57/593471357.db2.gz JYJWHHCOTQNOGL-CQSZACIVSA-N 1 2 335.360 1.482 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000811459642 593471358 /nfs/dbraw/zinc/47/13/58/593471358.db2.gz JYJWHHCOTQNOGL-CQSZACIVSA-N 1 2 335.360 1.482 20 5 EDBDLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907230 593647658 /nfs/dbraw/zinc/64/76/58/593647658.db2.gz MSRIZSYTZKNVBA-QWHCGFSZSA-N 1 2 327.768 1.631 20 5 EDBDLO COCC(COC)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000840358206 593693773 /nfs/dbraw/zinc/69/37/73/593693773.db2.gz NRSHQBMDAHIRIO-UHFFFAOYSA-N 1 2 345.346 1.656 20 5 EDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824714248 594061066 /nfs/dbraw/zinc/06/10/66/594061066.db2.gz ARXMPRBTPUJBQA-INIZCTEOSA-N 1 2 344.371 1.520 20 5 EDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823057702 594145807 /nfs/dbraw/zinc/14/58/07/594145807.db2.gz UOOFNQYZYDBMBG-ZZXKWVIFSA-N 1 2 341.371 1.676 20 5 EDBDLO Cc1c[nH+]ccc1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000826319533 594423827 /nfs/dbraw/zinc/42/38/27/594423827.db2.gz HHCZXSOMKVSAFK-UHFFFAOYSA-N 1 2 326.320 1.528 20 5 EDBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000829068103 594562132 /nfs/dbraw/zinc/56/21/32/594562132.db2.gz IGRCBEIDLTXAJU-ZDUSSCGKSA-N 1 2 342.359 1.198 20 5 EDBDLO C[N@@H+]1CCn2nc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000829472136 594621459 /nfs/dbraw/zinc/62/14/59/594621459.db2.gz LZMFMYMNHKOHNC-DAXSKMNVSA-N 1 2 327.344 1.889 20 5 EDBDLO C[N@H+]1CCn2nc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000829472136 594621460 /nfs/dbraw/zinc/62/14/60/594621460.db2.gz LZMFMYMNHKOHNC-DAXSKMNVSA-N 1 2 327.344 1.889 20 5 EDBDLO CN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000840757771 594815197 /nfs/dbraw/zinc/81/51/97/594815197.db2.gz PWVUSTYNEJJNFA-LLVKDONJSA-N 1 2 329.784 1.235 20 5 EDBDLO O=C(N1CCn2c[nH+]cc2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848589768 595410953 /nfs/dbraw/zinc/41/09/53/595410953.db2.gz NNRQSPBKTVUFKM-UHFFFAOYSA-N 1 2 338.270 1.805 20 5 EDBDLO CN1CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000847798557 595486323 /nfs/dbraw/zinc/48/63/23/595486323.db2.gz LDOSRLGLKANQMI-LBPRGKRZSA-N 1 2 344.327 1.416 20 5 EDBDLO CC(=O)c1ccc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858610309 595842243 /nfs/dbraw/zinc/84/22/43/595842243.db2.gz AVKZZMHGHDRQBV-UHFFFAOYSA-N 1 2 332.404 1.481 20 5 EDBDLO NC(C[NH+]1CCSCC1)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853688894 595856110 /nfs/dbraw/zinc/85/61/10/595856110.db2.gz UUROABAITWMXIQ-UHFFFAOYSA-N 1 2 346.359 1.920 20 5 EDBDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851762616 595913335 /nfs/dbraw/zinc/91/33/35/595913335.db2.gz UWUQWEWOFNPBHE-JTQLQIEISA-N 1 2 326.353 1.990 20 5 EDBDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000851762616 595913338 /nfs/dbraw/zinc/91/33/38/595913338.db2.gz UWUQWEWOFNPBHE-JTQLQIEISA-N 1 2 326.353 1.990 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859204686 596002818 /nfs/dbraw/zinc/00/28/18/596002818.db2.gz WWPSDATZTZFNMO-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859204686 596002822 /nfs/dbraw/zinc/00/28/22/596002822.db2.gz WWPSDATZTZFNMO-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO O=[N+]([O-])c1nc(Br)n(Cc2[nH+]ccn2CC(F)F)n1 ZINC000871680833 596669864 /nfs/dbraw/zinc/66/98/64/596669864.db2.gz LRKMTGUNLRNLTF-UHFFFAOYSA-N 1 2 337.084 1.459 20 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ZINC001032072450 698060344 /nfs/dbraw/zinc/06/03/44/698060344.db2.gz PHAJOJAHHLKQSM-UHFFFAOYSA-N 1 2 344.346 1.991 20 5 EDBDLO O=C(NC1CC[NH+](Cc2c(F)cccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782099 709387818 /nfs/dbraw/zinc/38/78/18/709387818.db2.gz HFWMSWFHXXNUQP-IAQYHMDHSA-N 1 2 339.342 1.711 20 5 EDBDLO O=C(NC1CC[NH+](Cc2cccc(F)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002782599 709388566 /nfs/dbraw/zinc/38/85/66/709388566.db2.gz MDUYXTDHOQSDNI-TZMCWYRMSA-N 1 2 339.342 1.711 20 5 EDBDLO O=C(NC1CC[NH+](Cc2nc3ccccc3o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783470 709389435 /nfs/dbraw/zinc/38/94/35/709389435.db2.gz SYIGHXARUMJDQS-TZMCWYRMSA-N 1 2 344.371 1.574 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000049503542 214012246 /nfs/dbraw/zinc/01/22/46/214012246.db2.gz FVONMKLEHBJNAR-VIFPVBQESA-N 1 2 345.197 1.885 20 5 EDBDLO Cn1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000171916623 530004711 /nfs/dbraw/zinc/00/47/11/530004711.db2.gz BBZLAFZTTVIYQX-HNNXBMFYSA-N 1 2 329.360 1.566 20 5 EDBDLO Cn1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000171916623 530004713 /nfs/dbraw/zinc/00/47/13/530004713.db2.gz BBZLAFZTTVIYQX-HNNXBMFYSA-N 1 2 329.360 1.566 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)s1 ZINC000066001148 215003146 /nfs/dbraw/zinc/00/31/46/215003146.db2.gz HMPRLOOBXSIUBC-UHFFFAOYSA-N 1 2 331.419 1.373 20 5 EDBDLO CCN(C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000066882754 215089678 /nfs/dbraw/zinc/08/96/78/215089678.db2.gz HGLBGCFKPNWLHP-UHFFFAOYSA-N 1 2 347.462 1.902 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000412377068 304003543 /nfs/dbraw/zinc/00/35/43/304003543.db2.gz XYNCKQSTTXDZTB-ZDUSSCGKSA-N 1 2 349.387 1.518 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000412377068 304003545 /nfs/dbraw/zinc/00/35/45/304003545.db2.gz XYNCKQSTTXDZTB-ZDUSSCGKSA-N 1 2 349.387 1.518 20 5 EDBDLO 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347.346 1.969 20 5 EDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179313873 442619472 /nfs/dbraw/zinc/61/94/72/442619472.db2.gz CGTADBDBIFKQRI-INIZCTEOSA-N 1 2 347.346 1.969 20 5 EDBDLO O=C(NCC1(CO)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182289067 442753656 /nfs/dbraw/zinc/75/36/56/442753656.db2.gz URTILOKLYBOXDI-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194278972 442870619 /nfs/dbraw/zinc/87/06/19/442870619.db2.gz FYJJEOFTURFCMM-HZMBPMFUSA-N 1 2 343.343 1.035 20 5 EDBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265797559 442925119 /nfs/dbraw/zinc/92/51/19/442925119.db2.gz MSUMGLBIPPBOHY-CQSZACIVSA-N 1 2 348.447 1.625 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189343906 442926082 /nfs/dbraw/zinc/92/60/82/442926082.db2.gz NAAPMZLFSGTLSW-ABAIWWIYSA-N 1 2 337.376 1.899 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189343906 442926086 /nfs/dbraw/zinc/92/60/86/442926086.db2.gz NAAPMZLFSGTLSW-ABAIWWIYSA-N 1 2 337.376 1.899 20 5 EDBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C(C)(C)C)no1 ZINC000185214315 318543372 /nfs/dbraw/zinc/54/33/72/318543372.db2.gz FLFPSSKVCYSNMB-SNVBAGLBSA-N 1 2 335.364 1.788 20 5 EDBDLO C[C@@]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000195227325 442998352 /nfs/dbraw/zinc/99/83/52/442998352.db2.gz SARGGWLPPACJGP-KRWDZBQOSA-N 1 2 342.355 1.184 20 5 EDBDLO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C(N)=O)C1 ZINC000249536661 442984206 /nfs/dbraw/zinc/98/42/06/442984206.db2.gz CPSGYQPQXBFNOK-IAQYHMDHSA-N 1 2 346.387 1.070 20 5 EDBDLO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C(N)=O)C1 ZINC000249536661 442984210 /nfs/dbraw/zinc/98/42/10/442984210.db2.gz CPSGYQPQXBFNOK-IAQYHMDHSA-N 1 2 346.387 1.070 20 5 EDBDLO CO[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1C ZINC000249839952 443007112 /nfs/dbraw/zinc/00/71/12/443007112.db2.gz NMORSPWJYZSVJE-NILFDRSVSA-N 1 2 347.371 1.584 20 5 EDBDLO CO[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1C ZINC000249839952 443007115 /nfs/dbraw/zinc/00/71/15/443007115.db2.gz NMORSPWJYZSVJE-NILFDRSVSA-N 1 2 347.371 1.584 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266527117 443157772 /nfs/dbraw/zinc/15/77/72/443157772.db2.gz PJJCOMGCDCSAOS-ZDUSSCGKSA-N 1 2 336.392 1.157 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000269652004 443380097 /nfs/dbraw/zinc/38/00/97/443380097.db2.gz MVEPLRSCBOTUFZ-GWCFXTLKSA-N 1 2 336.348 1.851 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000269652004 443380099 /nfs/dbraw/zinc/38/00/99/443380099.db2.gz MVEPLRSCBOTUFZ-GWCFXTLKSA-N 1 2 336.348 1.851 20 5 EDBDLO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCSC1 ZINC000267118379 443348142 /nfs/dbraw/zinc/34/81/42/443348142.db2.gz OZWZPCHOHYSNHH-CQSZACIVSA-N 1 2 325.390 1.468 20 5 EDBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264671336 443368166 /nfs/dbraw/zinc/36/81/66/443368166.db2.gz BBNVOJUYYZWNCI-LBPRGKRZSA-N 1 2 331.376 1.052 20 5 EDBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264671336 443368171 /nfs/dbraw/zinc/36/81/71/443368171.db2.gz BBNVOJUYYZWNCI-LBPRGKRZSA-N 1 2 331.376 1.052 20 5 EDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000282667304 443402928 /nfs/dbraw/zinc/40/29/28/443402928.db2.gz RSKBZKUVUNYMDR-UHFFFAOYSA-N 1 2 336.392 1.111 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000279034090 443496261 /nfs/dbraw/zinc/49/62/61/443496261.db2.gz AWTWRWWPJBIBLU-LLVKDONJSA-N 1 2 325.340 1.527 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427044747 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1 2 349.387 1.581 20 5 EDBDLO CCOC(=O)CN(C)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441226051 320093205 /nfs/dbraw/zinc/09/32/05/320093205.db2.gz FOWRLCVNIPPEMC-UHFFFAOYSA-N 1 2 349.387 1.581 20 5 EDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCOCCO ZINC000447801476 320145004 /nfs/dbraw/zinc/14/50/04/320145004.db2.gz CHFVOAJUZHCFJJ-UHFFFAOYSA-N 1 2 339.392 1.238 20 5 EDBDLO NC(=O)c1ccc(CN2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000280152655 443673606 /nfs/dbraw/zinc/67/36/06/443673606.db2.gz ADQKBBPVVHHDMW-UHFFFAOYSA-N 1 2 344.371 1.605 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000517083765 320446358 /nfs/dbraw/zinc/44/63/58/320446358.db2.gz MCDLIPALBCRBEZ-UHFFFAOYSA-N 1 2 339.417 1.719 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298249809 443729762 /nfs/dbraw/zinc/72/97/62/443729762.db2.gz MXZDYEDQXPICBO-JTQLQIEISA-N 1 2 333.348 1.798 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298249809 443729766 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EDBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000290663410 444307933 /nfs/dbraw/zinc/30/79/33/444307933.db2.gz ZVCXEGPSUOBEPV-HNNXBMFYSA-N 1 2 342.417 1.539 20 5 EDBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000290663410 444307937 /nfs/dbraw/zinc/30/79/37/444307937.db2.gz ZVCXEGPSUOBEPV-HNNXBMFYSA-N 1 2 342.417 1.539 20 5 EDBDLO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)S1=O ZINC000331140388 444413177 /nfs/dbraw/zinc/41/31/77/444413177.db2.gz DZLKBRHSCOCJNI-JHJVBQTASA-N 1 2 342.417 1.176 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)nc1 ZINC000298122588 444422936 /nfs/dbraw/zinc/42/29/36/444422936.db2.gz PJODQZACQUCQEA-UHFFFAOYSA-N 1 2 329.360 1.716 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000342183182 444552185 /nfs/dbraw/zinc/55/21/85/444552185.db2.gz XCYXTAVJUVNOPJ-JKSUJKDBSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000342183182 444552188 /nfs/dbraw/zinc/55/21/88/444552188.db2.gz XCYXTAVJUVNOPJ-JKSUJKDBSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000342183182 444552192 /nfs/dbraw/zinc/55/21/92/444552192.db2.gz XCYXTAVJUVNOPJ-JKSUJKDBSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000342183182 444552196 /nfs/dbraw/zinc/55/21/96/444552196.db2.gz XCYXTAVJUVNOPJ-JKSUJKDBSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000342356759 444652076 /nfs/dbraw/zinc/65/20/76/444652076.db2.gz MOBLBTOBCGTXIK-UHFFFAOYSA-N 1 2 325.346 1.455 20 5 EDBDLO CO[C@@H]1C[C@H](C(N)=O)[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006721 444723513 /nfs/dbraw/zinc/72/35/13/444723513.db2.gz NLXFIPVJISYOEL-IUODEOHRSA-N 1 2 345.355 1.929 20 5 EDBDLO CO[C@@H]1C[C@H](C(N)=O)[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006721 444723520 /nfs/dbraw/zinc/72/35/20/444723520.db2.gz NLXFIPVJISYOEL-IUODEOHRSA-N 1 2 345.355 1.929 20 5 EDBDLO COCCOCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344125135 444794364 /nfs/dbraw/zinc/79/43/64/444794364.db2.gz QZJTZVVJAYNABU-UHFFFAOYSA-N 1 2 337.376 1.079 20 5 EDBDLO COCCOCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344125135 444794368 /nfs/dbraw/zinc/79/43/68/444794368.db2.gz QZJTZVVJAYNABU-UHFFFAOYSA-N 1 2 337.376 1.079 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344423249 444959288 /nfs/dbraw/zinc/95/92/88/444959288.db2.gz VUPBJATVQWRGDN-GFCCVEGCSA-N 1 2 330.348 1.289 20 5 EDBDLO O=C(C[N@H+]1CCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344423249 444959293 /nfs/dbraw/zinc/95/92/93/444959293.db2.gz VUPBJATVQWRGDN-GFCCVEGCSA-N 1 2 330.348 1.289 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338917511 444931483 /nfs/dbraw/zinc/93/14/83/444931483.db2.gz HJWCZSXUUJWIJW-UHFFFAOYSA-N 1 2 343.347 1.681 20 5 EDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330538251 445023711 /nfs/dbraw/zinc/02/37/11/445023711.db2.gz GGHNOZXZUAGMQF-NEPJUHHUSA-N 1 2 327.406 1.698 20 5 EDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330538251 445023715 /nfs/dbraw/zinc/02/37/15/445023715.db2.gz GGHNOZXZUAGMQF-NEPJUHHUSA-N 1 2 327.406 1.698 20 5 EDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339067981 445017451 /nfs/dbraw/zinc/01/74/51/445017451.db2.gz OUJOGYHPNNZCTD-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000339189726 445080041 /nfs/dbraw/zinc/08/00/41/445080041.db2.gz JXYHKLYNNGLTHW-CYBMUJFWSA-N 1 2 345.359 1.745 20 5 EDBDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000339189726 445080044 /nfs/dbraw/zinc/08/00/44/445080044.db2.gz JXYHKLYNNGLTHW-CYBMUJFWSA-N 1 2 345.359 1.745 20 5 EDBDLO C[C@@H]1[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343448859 445225037 /nfs/dbraw/zinc/22/50/37/445225037.db2.gz CHEQXAOHNDGYHM-GHMZBOCLSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@@H]1[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[N@H+]1C ZINC000343448859 445225038 /nfs/dbraw/zinc/22/50/38/445225038.db2.gz CHEQXAOHNDGYHM-GHMZBOCLSA-N 1 2 327.406 1.893 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000347215484 445234087 /nfs/dbraw/zinc/23/40/87/445234087.db2.gz JJIKGWJVHLQHPX-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000347215484 445234088 /nfs/dbraw/zinc/23/40/88/445234088.db2.gz JJIKGWJVHLQHPX-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000351792416 445323456 /nfs/dbraw/zinc/32/34/56/445323456.db2.gz PSOHZGIFPNBOIT-UHFFFAOYSA-N 1 2 341.433 1.926 20 5 EDBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359744518 445404799 /nfs/dbraw/zinc/40/47/99/445404799.db2.gz GTCBSNMUFIVMOB-OKILXGFUSA-N 1 2 346.343 1.275 20 5 EDBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000359744518 445404804 /nfs/dbraw/zinc/40/48/04/445404804.db2.gz GTCBSNMUFIVMOB-OKILXGFUSA-N 1 2 346.343 1.275 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000362669261 445489306 /nfs/dbraw/zinc/48/93/06/445489306.db2.gz IITXWUYTLPGRNU-CQSZACIVSA-N 1 2 347.375 2.168 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000362669261 445489312 /nfs/dbraw/zinc/48/93/12/445489312.db2.gz IITXWUYTLPGRNU-CQSZACIVSA-N 1 2 347.375 2.168 20 5 EDBDLO O=C(NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000362942048 445619777 /nfs/dbraw/zinc/61/97/77/445619777.db2.gz NHDCQKKHVLZZJH-RISCZKNCSA-N 1 2 329.360 1.313 20 5 EDBDLO C[C@@]1(C(N)=O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000360249423 445655876 /nfs/dbraw/zinc/65/58/76/445655876.db2.gz MBQKGYNUMNSJFZ-QGZVFWFLSA-N 1 2 348.403 1.129 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)n1 ZINC000363761593 445874098 /nfs/dbraw/zinc/87/40/98/445874098.db2.gz CUCHDDRCLKPWOL-UHFFFAOYSA-N 1 2 333.392 1.218 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000350946429 445956081 /nfs/dbraw/zinc/95/60/81/445956081.db2.gz ZHVKZJWRHXSNJM-RYUDHWBXSA-N 1 2 341.433 1.925 20 5 EDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000350946429 445956087 /nfs/dbraw/zinc/95/60/87/445956087.db2.gz ZHVKZJWRHXSNJM-RYUDHWBXSA-N 1 2 341.433 1.925 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366071255 445994112 /nfs/dbraw/zinc/99/41/12/445994112.db2.gz DTOPMLUANBOJLL-CQSZACIVSA-N 1 2 348.403 1.208 20 5 EDBDLO CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000373101472 446028362 /nfs/dbraw/zinc/02/83/62/446028362.db2.gz ITMGQDJYUUJKPG-RDBSUJKOSA-N 1 2 329.360 1.418 20 5 EDBDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369273289 446037697 /nfs/dbraw/zinc/03/76/97/446037697.db2.gz ZKSYFXBFJWOWDN-GHMZBOCLSA-N 1 2 345.446 1.904 20 5 EDBDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369273289 446037698 /nfs/dbraw/zinc/03/76/98/446037698.db2.gz ZKSYFXBFJWOWDN-GHMZBOCLSA-N 1 2 345.446 1.904 20 5 EDBDLO CNc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356778349 446008679 /nfs/dbraw/zinc/00/86/79/446008679.db2.gz NXFQGWISKZZFJN-GXTWGEPZSA-N 1 2 348.403 1.572 20 5 EDBDLO CN1CC[NH+](C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)CC1 ZINC000365145800 446052395 /nfs/dbraw/zinc/05/23/95/446052395.db2.gz IQBGXBVMQTZUCR-CQSZACIVSA-N 1 2 338.383 1.187 20 5 EDBDLO CC(C)[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000583363134 326056825 /nfs/dbraw/zinc/05/68/25/326056825.db2.gz DQWCNEYSNZRYLX-JTQLQIEISA-N 1 2 325.350 1.389 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000359504652 446263964 /nfs/dbraw/zinc/26/39/64/446263964.db2.gz DEHCJACGEMFTLX-ZFWWWQNUSA-N 1 2 332.360 1.895 20 5 EDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000359504652 446263969 /nfs/dbraw/zinc/26/39/69/446263969.db2.gz DEHCJACGEMFTLX-ZFWWWQNUSA-N 1 2 332.360 1.895 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366619329 446283354 /nfs/dbraw/zinc/28/33/54/446283354.db2.gz KXNNRFVSWLRMJO-UHFFFAOYSA-N 1 2 339.359 1.467 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366619329 446283361 /nfs/dbraw/zinc/28/33/61/446283361.db2.gz KXNNRFVSWLRMJO-UHFFFAOYSA-N 1 2 339.359 1.467 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2CNc2ncccc2[N+](=O)[O-])cn1 ZINC000359637056 446331131 /nfs/dbraw/zinc/33/11/31/446331131.db2.gz KCFKOFAFFZBNLH-QWHCGFSZSA-N 1 2 334.355 1.748 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@@H]2CNc2ncccc2[N+](=O)[O-])cn1 ZINC000359637056 446331136 /nfs/dbraw/zinc/33/11/36/446331136.db2.gz KCFKOFAFFZBNLH-QWHCGFSZSA-N 1 2 334.355 1.748 20 5 EDBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374878564 446431792 /nfs/dbraw/zinc/43/17/92/446431792.db2.gz NXVRNBVRHILSLF-GFCCVEGCSA-N 1 2 345.396 1.636 20 5 EDBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374878564 446431794 /nfs/dbraw/zinc/43/17/94/446431794.db2.gz NXVRNBVRHILSLF-GFCCVEGCSA-N 1 2 345.396 1.636 20 5 EDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374881237 446433483 /nfs/dbraw/zinc/43/34/83/446433483.db2.gz SHNCFGHEEUOHQS-LLVKDONJSA-N 1 2 335.751 1.758 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000411563131 446602355 /nfs/dbraw/zinc/60/23/55/446602355.db2.gz BFOIGSKBRMGIHM-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000411563131 446602357 /nfs/dbraw/zinc/60/23/57/446602357.db2.gz BFOIGSKBRMGIHM-LBPRGKRZSA-N 1 2 334.376 1.476 20 5 EDBDLO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000368188022 446695894 /nfs/dbraw/zinc/69/58/94/446695894.db2.gz KCHQCWIJKIPCLF-ZFWWWQNUSA-N 1 2 333.388 1.419 20 5 EDBDLO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000368188022 446695904 /nfs/dbraw/zinc/69/59/04/446695904.db2.gz KCHQCWIJKIPCLF-ZFWWWQNUSA-N 1 2 333.388 1.419 20 5 EDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411983292 446775776 /nfs/dbraw/zinc/77/57/76/446775776.db2.gz FPPRCYBTCUZTFG-JKSUJKDBSA-N 1 2 347.415 1.925 20 5 EDBDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411983292 446775782 /nfs/dbraw/zinc/77/57/82/446775782.db2.gz FPPRCYBTCUZTFG-JKSUJKDBSA-N 1 2 347.415 1.925 20 5 EDBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000376998412 446850898 /nfs/dbraw/zinc/85/08/98/446850898.db2.gz UGHSETZIVANSBN-GJZGRUSLSA-N 1 2 338.360 1.362 20 5 EDBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000376998412 446850903 /nfs/dbraw/zinc/85/09/03/446850903.db2.gz UGHSETZIVANSBN-GJZGRUSLSA-N 1 2 338.360 1.362 20 5 EDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000372683514 447222194 /nfs/dbraw/zinc/22/21/94/447222194.db2.gz VWRUXJMVWSWIDK-NSHDSACASA-N 1 2 344.375 1.920 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056320 447240161 /nfs/dbraw/zinc/24/01/61/447240161.db2.gz KZQQCNDHRKYMFT-YPMHNXCESA-N 1 2 335.360 1.284 20 5 EDBDLO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376056320 447240165 /nfs/dbraw/zinc/24/01/65/447240165.db2.gz KZQQCNDHRKYMFT-YPMHNXCESA-N 1 2 335.360 1.284 20 5 EDBDLO C[N@@H+]1CCc2ncnc(N3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)c2C1 ZINC000369003012 447257567 /nfs/dbraw/zinc/25/75/67/447257567.db2.gz SLTVMCFHKVQPBB-GFCCVEGCSA-N 1 2 343.391 1.411 20 5 EDBDLO C[N@H+]1CCc2ncnc(N3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)c2C1 ZINC000369003012 447257573 /nfs/dbraw/zinc/25/75/73/447257573.db2.gz SLTVMCFHKVQPBB-GFCCVEGCSA-N 1 2 343.391 1.411 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCc2cn(C)c[nH+]2)c1C ZINC000416531684 447637221 /nfs/dbraw/zinc/63/72/21/447637221.db2.gz HEZQQUHRJMYHQR-UHFFFAOYSA-N 1 2 338.389 1.466 20 5 EDBDLO CCOC(=O)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000459461510 447675462 /nfs/dbraw/zinc/67/54/62/447675462.db2.gz JUZHZVYPYSOMKK-UHFFFAOYSA-N 1 2 334.332 1.829 20 5 EDBDLO CCOC(=O)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000459461510 447675469 /nfs/dbraw/zinc/67/54/69/447675469.db2.gz JUZHZVYPYSOMKK-UHFFFAOYSA-N 1 2 334.332 1.829 20 5 EDBDLO Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC000428903538 447720738 /nfs/dbraw/zinc/72/07/38/447720738.db2.gz CWXISRCANNLKKK-JTQLQIEISA-N 1 2 345.315 1.408 20 5 EDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523305520 447877379 /nfs/dbraw/zinc/87/73/79/447877379.db2.gz OWUPOKSNAFJKRK-UHFFFAOYSA-N 1 2 349.435 1.222 20 5 EDBDLO CC(C)c1nc(N(C)C)nc(NCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000534310230 448443083 /nfs/dbraw/zinc/44/30/83/448443083.db2.gz OEBRTEPPGSOPMC-UHFFFAOYSA-N 1 2 346.391 2.460 20 5 EDBDLO CC(C)c1nc(NCCOc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000534310230 448443086 /nfs/dbraw/zinc/44/30/86/448443086.db2.gz OEBRTEPPGSOPMC-UHFFFAOYSA-N 1 2 346.391 2.460 20 5 EDBDLO COC(=O)[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000535764076 448505228 /nfs/dbraw/zinc/50/52/28/448505228.db2.gz IDCPTQCZWKDADC-CJNGLKHVSA-N 1 2 338.360 1.266 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000538741699 448594487 /nfs/dbraw/zinc/59/44/87/448594487.db2.gz ZIDVMIRTLUFMKS-CYBMUJFWSA-N 1 2 335.404 1.971 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000538741699 448594490 /nfs/dbraw/zinc/59/44/90/448594490.db2.gz ZIDVMIRTLUFMKS-CYBMUJFWSA-N 1 2 335.404 1.971 20 5 EDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000587057339 448834950 /nfs/dbraw/zinc/83/49/50/448834950.db2.gz UIUZMRWKSRPESO-SNVBAGLBSA-N 1 2 344.327 1.307 20 5 EDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000521050543 448950793 /nfs/dbraw/zinc/95/07/93/448950793.db2.gz SHLVWNUUONWPFL-LBPRGKRZSA-N 1 2 330.344 1.549 20 5 EDBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000521621726 449002068 /nfs/dbraw/zinc/00/20/68/449002068.db2.gz CCEWXCXQXMYUBL-SNVBAGLBSA-N 1 2 332.320 1.069 20 5 EDBDLO CNc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000522267104 449070927 /nfs/dbraw/zinc/07/09/27/449070927.db2.gz LLELLWKBEBNUOT-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO CNc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000522267104 449070932 /nfs/dbraw/zinc/07/09/32/449070932.db2.gz LLELLWKBEBNUOT-UHFFFAOYSA-N 1 2 336.392 1.477 20 5 EDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)CO ZINC000597847036 449121085 /nfs/dbraw/zinc/12/10/85/449121085.db2.gz NMLVPCMOCNVKIW-NSHDSACASA-N 1 2 338.389 1.879 20 5 EDBDLO Cn1c(C(=O)NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000597942444 449152150 /nfs/dbraw/zinc/15/21/50/449152150.db2.gz YOOCEJHPRVXOML-UHFFFAOYSA-N 1 2 329.360 1.859 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611083641 449161358 /nfs/dbraw/zinc/16/13/58/449161358.db2.gz QTOJENQHPKORDF-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611083641 449161364 /nfs/dbraw/zinc/16/13/64/449161364.db2.gz QTOJENQHPKORDF-GFCCVEGCSA-N 1 2 327.406 1.618 20 5 EDBDLO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595748113 449145078 /nfs/dbraw/zinc/14/50/78/449145078.db2.gz WQZBQAOVWWCFJP-UHFFFAOYSA-N 1 2 340.401 1.647 20 5 EDBDLO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595748113 449145079 /nfs/dbraw/zinc/14/50/79/449145079.db2.gz WQZBQAOVWWCFJP-UHFFFAOYSA-N 1 2 340.401 1.647 20 5 EDBDLO O=C(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595827279 449190850 /nfs/dbraw/zinc/19/08/50/449190850.db2.gz BHAGJLHUELQFKH-ZDUSSCGKSA-N 1 2 346.387 1.478 20 5 EDBDLO O=C(C[N@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595827279 449190853 /nfs/dbraw/zinc/19/08/53/449190853.db2.gz BHAGJLHUELQFKH-ZDUSSCGKSA-N 1 2 346.387 1.478 20 5 EDBDLO COCCOCC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000593887167 449264851 /nfs/dbraw/zinc/26/48/51/449264851.db2.gz PILBZNMANZSXAE-UHFFFAOYSA-N 1 2 343.405 1.077 20 5 EDBDLO COc1ccc(C[NH+]2CCN(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000594021885 449329151 /nfs/dbraw/zinc/32/91/51/449329151.db2.gz BDUWECNSCCFNAG-UHFFFAOYSA-N 1 2 332.364 1.054 20 5 EDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460990 449406772 /nfs/dbraw/zinc/40/67/72/449406772.db2.gz YRHQXPYDDWYULS-WDEREUQCSA-N 1 2 345.359 1.324 20 5 EDBDLO C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000598590352 449479920 /nfs/dbraw/zinc/47/99/20/449479920.db2.gz QMHZGUIUHFHNDF-LBPRGKRZSA-N 1 2 347.379 1.166 20 5 EDBDLO C[C@@H]1C[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)CO1 ZINC000596426849 449497136 /nfs/dbraw/zinc/49/71/36/449497136.db2.gz BXVKLYXYHIAHMV-GHMZBOCLSA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)CO1 ZINC000596426849 449497140 /nfs/dbraw/zinc/49/71/40/449497140.db2.gz BXVKLYXYHIAHMV-GHMZBOCLSA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@H]1C[N@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428779 449498554 /nfs/dbraw/zinc/49/85/54/449498554.db2.gz HVORDJQNNKDPAA-QWRGUYRKSA-N 1 2 347.375 1.765 20 5 EDBDLO C[C@H]1C[N@@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428779 449498560 /nfs/dbraw/zinc/49/85/60/449498560.db2.gz HVORDJQNNKDPAA-QWRGUYRKSA-N 1 2 347.375 1.765 20 5 EDBDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768462 449682131 /nfs/dbraw/zinc/68/21/31/449682131.db2.gz UVIKZEPUAPNVOG-UHFFFAOYSA-N 1 2 339.377 1.321 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000598917039 449645944 /nfs/dbraw/zinc/64/59/44/449645944.db2.gz QJPCMNMTIXNONH-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000598917039 449645948 /nfs/dbraw/zinc/64/59/48/449645948.db2.gz QJPCMNMTIXNONH-ZDUSSCGKSA-N 1 2 348.403 1.784 20 5 EDBDLO Cc1cc[nH+]c([C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)c1 ZINC000599099234 449730260 /nfs/dbraw/zinc/73/02/60/449730260.db2.gz FZZNDJDJASLCPC-LLVKDONJSA-N 1 2 327.344 1.786 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612422899 449694642 /nfs/dbraw/zinc/69/46/42/449694642.db2.gz JNJNHGHGURQONC-UHFFFAOYSA-N 1 2 328.328 1.658 20 5 EDBDLO Cc1cccc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000599130493 449753560 /nfs/dbraw/zinc/75/35/60/449753560.db2.gz YCJDWNQCVWMSMC-KRWDZBQOSA-N 1 2 335.404 1.931 20 5 EDBDLO Cc1cccc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000599130493 449753568 /nfs/dbraw/zinc/75/35/68/449753568.db2.gz YCJDWNQCVWMSMC-KRWDZBQOSA-N 1 2 335.404 1.931 20 5 EDBDLO Cn1cc(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c([N+](=O)[O-])n1 ZINC000602828891 449840242 /nfs/dbraw/zinc/84/02/42/449840242.db2.gz SNGGXTFICVLJEK-QGZVFWFLSA-N 1 2 346.387 1.482 20 5 EDBDLO Cn1cc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c([N+](=O)[O-])n1 ZINC000602828891 449840250 /nfs/dbraw/zinc/84/02/50/449840250.db2.gz SNGGXTFICVLJEK-QGZVFWFLSA-N 1 2 346.387 1.482 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000601341815 449851164 /nfs/dbraw/zinc/85/11/64/449851164.db2.gz JVRAZJHGHIYCJU-ZDUSSCGKSA-N 1 2 349.359 1.364 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029147 449955882 /nfs/dbraw/zinc/95/58/82/449955882.db2.gz HSLBZPBKXUPOCL-UHFFFAOYSA-N 1 2 329.312 1.658 20 5 EDBDLO O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599428549 449969193 /nfs/dbraw/zinc/96/91/93/449969193.db2.gz CKQJFZUVGUSJLJ-UHFFFAOYSA-N 1 2 335.751 1.968 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599430235 449970744 /nfs/dbraw/zinc/97/07/44/449970744.db2.gz QKRPBXSMSDEIGL-UHFFFAOYSA-N 1 2 331.332 1.323 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)nc1 ZINC000612991461 449974627 /nfs/dbraw/zinc/97/46/27/449974627.db2.gz QTWZIDYSDSJJQQ-DGCLKSJQSA-N 1 2 331.332 1.966 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)nc1 ZINC000612991461 449974630 /nfs/dbraw/zinc/97/46/30/449974630.db2.gz QTWZIDYSDSJJQQ-DGCLKSJQSA-N 1 2 331.332 1.966 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599640996 450122326 /nfs/dbraw/zinc/12/23/26/450122326.db2.gz GFRDUZFOSXYCPZ-OLZOCXBDSA-N 1 2 328.340 1.395 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599640996 450122332 /nfs/dbraw/zinc/12/23/32/450122332.db2.gz GFRDUZFOSXYCPZ-OLZOCXBDSA-N 1 2 328.340 1.395 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603376666 450269941 /nfs/dbraw/zinc/26/99/41/450269941.db2.gz WPIFQFHOKCOGJB-UHFFFAOYSA-N 1 2 327.406 1.451 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603376666 450269944 /nfs/dbraw/zinc/26/99/44/450269944.db2.gz WPIFQFHOKCOGJB-UHFFFAOYSA-N 1 2 327.406 1.451 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000619494916 450490799 /nfs/dbraw/zinc/49/07/99/450490799.db2.gz VKPFULNGOCLFKM-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000619494916 450490802 /nfs/dbraw/zinc/49/08/02/450490802.db2.gz VKPFULNGOCLFKM-WDEREUQCSA-N 1 2 343.405 1.317 20 5 EDBDLO CC[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000347941316 535842383 /nfs/dbraw/zinc/84/23/83/535842383.db2.gz CIXVWHLWURRDII-GWCFXTLKSA-N 1 2 345.359 1.704 20 5 EDBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741148701 579399511 /nfs/dbraw/zinc/39/95/11/579399511.db2.gz RUJFTILLUXYKND-AWEZNQCLSA-N 1 2 335.360 1.951 20 5 EDBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741148701 579399512 /nfs/dbraw/zinc/39/95/12/579399512.db2.gz RUJFTILLUXYKND-AWEZNQCLSA-N 1 2 335.360 1.951 20 5 EDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000742179493 579438134 /nfs/dbraw/zinc/43/81/34/579438134.db2.gz GENVCORGGICTSF-UHFFFAOYSA-N 1 2 331.332 1.085 20 5 EDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000742179493 579438135 /nfs/dbraw/zinc/43/81/35/579438135.db2.gz GENVCORGGICTSF-UHFFFAOYSA-N 1 2 331.332 1.085 20 5 EDBDLO CCOC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000729919469 578598950 /nfs/dbraw/zinc/59/89/50/578598950.db2.gz KYMGYIURLWJLEC-CYBMUJFWSA-N 1 2 343.811 1.768 20 5 EDBDLO C[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000730259356 578637231 /nfs/dbraw/zinc/63/72/31/578637231.db2.gz RDKVVIQJBZLTDQ-CJNGLKHVSA-N 1 2 348.359 1.040 20 5 EDBDLO C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000730259356 578637233 /nfs/dbraw/zinc/63/72/33/578637233.db2.gz RDKVVIQJBZLTDQ-CJNGLKHVSA-N 1 2 348.359 1.040 20 5 EDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000732578951 578719507 /nfs/dbraw/zinc/71/95/07/578719507.db2.gz WJEZTTRIEXKJKQ-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000732578951 578719509 /nfs/dbraw/zinc/71/95/09/578719509.db2.gz WJEZTTRIEXKJKQ-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C)c1[N+](=O)[O-] ZINC000732799853 578730112 /nfs/dbraw/zinc/73/01/12/578730112.db2.gz WMSNKVBPHNUZSV-CQSZACIVSA-N 1 2 335.408 1.843 20 5 EDBDLO Cc1nn(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C)c1[N+](=O)[O-] ZINC000732799853 578730114 /nfs/dbraw/zinc/73/01/14/578730114.db2.gz WMSNKVBPHNUZSV-CQSZACIVSA-N 1 2 335.408 1.843 20 5 EDBDLO Cc1c(C(=O)N2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000733958364 578791342 /nfs/dbraw/zinc/79/13/42/578791342.db2.gz FUTDSIOHBFAAEZ-UHFFFAOYSA-N 1 2 345.315 1.972 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746672116 579606036 /nfs/dbraw/zinc/60/60/36/579606036.db2.gz MMBZXFOONUMJIZ-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746672116 579606038 /nfs/dbraw/zinc/60/60/38/579606038.db2.gz MMBZXFOONUMJIZ-LLVKDONJSA-N 1 2 333.797 1.501 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749850959 579742269 /nfs/dbraw/zinc/74/22/69/579742269.db2.gz SBJRZUYEACQODW-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749850959 579742270 /nfs/dbraw/zinc/74/22/70/579742270.db2.gz SBJRZUYEACQODW-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000756839891 579958041 /nfs/dbraw/zinc/95/80/41/579958041.db2.gz WQUGLPHFLCAHCP-UHFFFAOYSA-N 1 2 345.350 1.613 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000756839891 579958042 /nfs/dbraw/zinc/95/80/42/579958042.db2.gz WQUGLPHFLCAHCP-UHFFFAOYSA-N 1 2 345.350 1.613 20 5 EDBDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764201697 580115349 /nfs/dbraw/zinc/11/53/49/580115349.db2.gz OYNKESXBPGPKEY-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764201697 580115350 /nfs/dbraw/zinc/11/53/50/580115350.db2.gz OYNKESXBPGPKEY-VIFPVBQESA-N 1 2 342.783 1.643 20 5 EDBDLO CCc1n[nH]c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000767684962 580196842 /nfs/dbraw/zinc/19/68/42/580196842.db2.gz RFRRNNHYDNYMAF-NSHDSACASA-N 1 2 334.380 1.922 20 5 EDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770715608 580269176 /nfs/dbraw/zinc/26/91/76/580269176.db2.gz ABICXEOMRRZWKU-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770715608 580269177 /nfs/dbraw/zinc/26/91/77/580269177.db2.gz ABICXEOMRRZWKU-VHSXEESVSA-N 1 2 331.369 1.447 20 5 EDBDLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000771959686 580299522 /nfs/dbraw/zinc/29/95/22/580299522.db2.gz JNRGHDWAJXGTIT-NSHDSACASA-N 1 2 348.315 1.232 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC000776773635 580428666 /nfs/dbraw/zinc/42/86/66/580428666.db2.gz DLSOFSOIIVCPKD-AWEZNQCLSA-N 1 2 340.347 1.349 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC000776773635 580428667 /nfs/dbraw/zinc/42/86/67/580428667.db2.gz DLSOFSOIIVCPKD-AWEZNQCLSA-N 1 2 340.347 1.349 20 5 EDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000781568868 580552617 /nfs/dbraw/zinc/55/26/17/580552617.db2.gz LSCDYDKNAGAYRR-UHFFFAOYSA-N 1 2 333.304 1.449 20 5 EDBDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781967674 580561977 /nfs/dbraw/zinc/56/19/77/580561977.db2.gz NLHAHBPUIBJZLY-ZDUSSCGKSA-N 1 2 329.316 1.470 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781996369 580563013 /nfs/dbraw/zinc/56/30/13/580563013.db2.gz BJGNVDUBUTXDPX-UHFFFAOYSA-N 1 2 348.359 1.416 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000782256846 580569901 /nfs/dbraw/zinc/56/99/01/580569901.db2.gz VHHRSCCXSFJHTG-ZDUSSCGKSA-N 1 2 338.360 1.628 20 5 EDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895978723 591316686 /nfs/dbraw/zinc/31/66/86/591316686.db2.gz UHNBNGAZARWLMU-ZDUSSCGKSA-N 1 2 328.390 1.659 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2OCCO2)nc1-c1ccncc1 ZINC000902624537 592029817 /nfs/dbraw/zinc/02/98/17/592029817.db2.gz LRUCZNQMZXFHST-CYBMUJFWSA-N 1 2 345.359 1.648 20 5 EDBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2C2OCCO2)nc1-c1ccncc1 ZINC000902624537 592029820 /nfs/dbraw/zinc/02/98/20/592029820.db2.gz LRUCZNQMZXFHST-CYBMUJFWSA-N 1 2 345.359 1.648 20 5 EDBDLO C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)[NH+]1CCSCC1 ZINC000911476606 592923719 /nfs/dbraw/zinc/92/37/19/592923719.db2.gz QWOYEQQTMVCZNF-SECBINFHSA-N 1 2 345.371 1.927 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812294760 593494957 /nfs/dbraw/zinc/49/49/57/593494957.db2.gz UDZHBFGIUBGDDF-LBPRGKRZSA-N 1 2 341.327 1.292 20 5 EDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812294760 593494958 /nfs/dbraw/zinc/49/49/58/593494958.db2.gz UDZHBFGIUBGDDF-LBPRGKRZSA-N 1 2 341.327 1.292 20 5 EDBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OCC1CC1 ZINC000822984417 594131713 /nfs/dbraw/zinc/13/17/13/594131713.db2.gz FEICDAPXLIRSDW-UHFFFAOYSA-N 1 2 344.327 1.464 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830886905 594505646 /nfs/dbraw/zinc/50/56/46/594505646.db2.gz WZUGVWKDOQAVAB-CMPLNLGQSA-N 1 2 328.752 1.604 20 5 EDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830886905 594505649 /nfs/dbraw/zinc/50/56/49/594505649.db2.gz WZUGVWKDOQAVAB-CMPLNLGQSA-N 1 2 328.752 1.604 20 5 EDBDLO CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(=O)O1 ZINC000827256007 594656801 /nfs/dbraw/zinc/65/68/01/594656801.db2.gz VZQDDHSTHYYTLX-LLVKDONJSA-N 1 2 344.327 1.604 20 5 EDBDLO CCOC(=O)c1cc(C(=O)N[C@@H]2CCn3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000833305481 594823787 /nfs/dbraw/zinc/82/37/87/594823787.db2.gz QKFIRNXFYLBTLU-CYBMUJFWSA-N 1 2 344.327 1.843 20 5 EDBDLO CCNC(=O)C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000836005624 594908427 /nfs/dbraw/zinc/90/84/27/594908427.db2.gz AHIGNUZWJPCHBB-LLVKDONJSA-N 1 2 346.343 1.852 20 5 EDBDLO Cc1nn(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000842635048 595152192 /nfs/dbraw/zinc/15/21/92/595152192.db2.gz KTAJBBZSKBIGSV-HNNXBMFYSA-N 1 2 343.387 1.696 20 5 EDBDLO Cc1nn(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000842635048 595152195 /nfs/dbraw/zinc/15/21/95/595152195.db2.gz KTAJBBZSKBIGSV-HNNXBMFYSA-N 1 2 343.387 1.696 20 5 EDBDLO CCOC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835233761 595283016 /nfs/dbraw/zinc/28/30/16/595283016.db2.gz JWJMMPCJZFMYFK-SNVBAGLBSA-N 1 2 333.300 1.889 20 5 EDBDLO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000849371799 595514935 /nfs/dbraw/zinc/51/49/35/595514935.db2.gz WJLWAIOWVFAPHQ-NSHDSACASA-N 1 2 328.394 1.143 20 5 EDBDLO CN(C)C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000855644605 595779384 /nfs/dbraw/zinc/77/93/84/595779384.db2.gz VAUAIIRAGIFFHP-UHFFFAOYSA-N 1 2 347.331 1.209 20 5 EDBDLO CCn1ncc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000858445064 595796706 /nfs/dbraw/zinc/79/67/06/595796706.db2.gz ZIDAXOOCVLFGMF-OAHLLOKOSA-N 1 2 341.375 1.819 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC000853586825 595815413 /nfs/dbraw/zinc/81/54/13/595815413.db2.gz BIIJOFHCOOKANS-BDAKNGLRSA-N 1 2 331.170 1.480 20 5 EDBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC000853586825 595815417 /nfs/dbraw/zinc/81/54/17/595815417.db2.gz BIIJOFHCOOKANS-BDAKNGLRSA-N 1 2 331.170 1.480 20 5 EDBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853589960 595818515 /nfs/dbraw/zinc/81/85/15/595818515.db2.gz LCJHIANCPKYJIU-NWDGAFQWSA-N 1 2 346.343 1.337 20 5 EDBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853589960 595818519 /nfs/dbraw/zinc/81/85/19/595818519.db2.gz LCJHIANCPKYJIU-NWDGAFQWSA-N 1 2 346.343 1.337 20 5 EDBDLO Cc1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[N+](=O)[O-] ZINC000851844265 595944475 /nfs/dbraw/zinc/94/44/75/595944475.db2.gz SQBIRLXPBSJQLB-SNVBAGLBSA-N 1 2 348.319 1.881 20 5 EDBDLO Cc1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[N+](=O)[O-] ZINC000851844265 595944477 /nfs/dbraw/zinc/94/44/77/595944477.db2.gz SQBIRLXPBSJQLB-SNVBAGLBSA-N 1 2 348.319 1.881 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000861763575 596093624 /nfs/dbraw/zinc/09/36/24/596093624.db2.gz UIFVHGXOXBFMLL-UHFFFAOYSA-N 1 2 331.288 1.733 20 5 EDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000861763575 596093630 /nfs/dbraw/zinc/09/36/30/596093630.db2.gz UIFVHGXOXBFMLL-UHFFFAOYSA-N 1 2 331.288 1.733 20 5 EDBDLO O=C1CCC2=C(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)N1 ZINC000852297985 596115551 /nfs/dbraw/zinc/11/55/51/596115551.db2.gz QVVIXFARLMNWRZ-UHFFFAOYSA-N 1 2 327.344 1.841 20 5 EDBDLO O=C1CCC2=C(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)N1 ZINC000852297985 596115553 /nfs/dbraw/zinc/11/55/53/596115553.db2.gz QVVIXFARLMNWRZ-UHFFFAOYSA-N 1 2 327.344 1.841 20 5 EDBDLO NS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000859957116 596233906 /nfs/dbraw/zinc/23/39/06/596233906.db2.gz OXJQCPYSDRTCLF-UHFFFAOYSA-N 1 2 348.812 1.006 20 5 EDBDLO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCn3cc[nH+]c32)C1=O ZINC000863511009 596606110 /nfs/dbraw/zinc/60/61/10/596606110.db2.gz VJDDEOVQVFPSET-MLGOLLRUSA-N 1 2 341.327 1.703 20 5 EDBDLO Cc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000868056123 596672260 /nfs/dbraw/zinc/67/22/60/596672260.db2.gz PXDIIMDYXAACMD-ZDUSSCGKSA-N 1 2 336.392 1.423 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000874698619 597141392 /nfs/dbraw/zinc/14/13/92/597141392.db2.gz IOAPTRCHMSIXDT-ZDUSSCGKSA-N 1 2 337.376 1.201 20 5 EDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000874698619 597141395 /nfs/dbraw/zinc/14/13/95/597141395.db2.gz IOAPTRCHMSIXDT-ZDUSSCGKSA-N 1 2 337.376 1.201 20 5 EDBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)cc1 ZINC000881618110 597659689 /nfs/dbraw/zinc/65/96/89/597659689.db2.gz FPDIOJVJEKQAGJ-UHFFFAOYSA-N 1 2 343.387 1.838 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991432 597963290 /nfs/dbraw/zinc/96/32/90/597963290.db2.gz CZKIHGGPQREQSC-UHFFFAOYSA-N 1 2 335.339 1.330 20 5 EDBDLO Cc1ocnc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031568019 697261149 /nfs/dbraw/zinc/26/11/49/697261149.db2.gz MMMPTQLKSDKZKU-UHFFFAOYSA-N 1 2 330.344 1.753 20 5 EDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000919604302 697304393 /nfs/dbraw/zinc/30/43/93/697304393.db2.gz VEXYSWBEGHLBSG-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000919604302 697304396 /nfs/dbraw/zinc/30/43/96/697304396.db2.gz VEXYSWBEGHLBSG-GFCCVEGCSA-N 1 2 342.421 1.341 20 5 EDBDLO O=C(CCCn1cc[nH+]c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920928094 697492100 /nfs/dbraw/zinc/49/21/00/697492100.db2.gz UFPNJLAUCCGUAT-UHFFFAOYSA-N 1 2 343.387 1.920 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000055268869 214297973 /nfs/dbraw/zinc/29/79/73/214297973.db2.gz VMBQOPVEMUMPIG-UHFFFAOYSA-N 1 2 343.380 1.450 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000171856945 529466559 /nfs/dbraw/zinc/46/65/59/529466559.db2.gz NOVOLXRCZJGDTO-UHFFFAOYSA-N 1 2 346.391 1.936 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000171856945 529466561 /nfs/dbraw/zinc/46/65/61/529466561.db2.gz NOVOLXRCZJGDTO-UHFFFAOYSA-N 1 2 346.391 1.936 20 5 EDBDLO CNC(=O)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153844188 529839582 /nfs/dbraw/zinc/83/95/82/529839582.db2.gz HXYDXMVAOCFVDT-UHFFFAOYSA-N 1 2 345.359 1.283 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000104598217 219398222 /nfs/dbraw/zinc/39/82/22/219398222.db2.gz XWOZFTGNUSTRBT-QWHCGFSZSA-N 1 2 336.392 1.232 20 5 EDBDLO C[C@H](O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414597318 304125727 /nfs/dbraw/zinc/12/57/27/304125727.db2.gz WHIZNOYTSDOKQR-LRDDRELGSA-N 1 2 346.387 1.577 20 5 EDBDLO C[C@H](O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414597318 304125729 /nfs/dbraw/zinc/12/57/29/304125729.db2.gz WHIZNOYTSDOKQR-LRDDRELGSA-N 1 2 346.387 1.577 20 5 EDBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000078511244 217065544 /nfs/dbraw/zinc/06/55/44/217065544.db2.gz BFDLYYWMLNNJKN-CHWSQXEVSA-N 1 2 337.376 1.199 20 5 EDBDLO O=[N+]([O-])c1ccccc1N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000072024474 285163635 /nfs/dbraw/zinc/16/36/35/285163635.db2.gz UUQSXTAVIADDAP-UHFFFAOYSA-N 1 2 334.420 1.439 20 5 EDBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000263778201 139359725 /nfs/dbraw/zinc/35/97/25/139359725.db2.gz GHEASRZZLWYWIW-CQSZACIVSA-N 1 2 348.403 1.255 20 5 EDBDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000263778201 139359726 /nfs/dbraw/zinc/35/97/26/139359726.db2.gz GHEASRZZLWYWIW-CQSZACIVSA-N 1 2 348.403 1.255 20 5 EDBDLO CNC(=O)Cc1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000494472168 255252026 /nfs/dbraw/zinc/25/20/26/255252026.db2.gz IMQOTXWHCMHJCG-UHFFFAOYSA-N 1 2 347.375 1.677 20 5 EDBDLO CNC(=O)Cc1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000494472168 255252027 /nfs/dbraw/zinc/25/20/27/255252027.db2.gz IMQOTXWHCMHJCG-UHFFFAOYSA-N 1 2 347.375 1.677 20 5 EDBDLO COC(=O)N1CC(N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495688566 255315947 /nfs/dbraw/zinc/31/59/47/255315947.db2.gz OTBGMWFIWIMTOV-AWEZNQCLSA-N 1 2 345.359 1.458 20 5 EDBDLO Nc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000154541088 224268506 /nfs/dbraw/zinc/26/85/06/224268506.db2.gz JTTRZZWVEAXUIA-NSHDSACASA-N 1 2 327.344 1.581 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000347367801 533383585 /nfs/dbraw/zinc/38/35/85/533383585.db2.gz MRKMFHYXTUFRAH-GHXNOFRVSA-N 1 2 329.360 1.598 20 5 EDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(CO)nnc2C1 ZINC000347367801 533383593 /nfs/dbraw/zinc/38/35/93/533383593.db2.gz MRKMFHYXTUFRAH-GHXNOFRVSA-N 1 2 329.360 1.598 20 5 EDBDLO C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000332106822 141124303 /nfs/dbraw/zinc/12/43/03/141124303.db2.gz RSFIFQGKQKQZBJ-VXGBXAGGSA-N 1 2 339.417 1.982 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000332348253 141166677 /nfs/dbraw/zinc/16/66/77/141166677.db2.gz OXHZNRZCINNVQJ-VXGBXAGGSA-N 1 2 337.376 1.899 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000332348253 141166678 /nfs/dbraw/zinc/16/66/78/141166678.db2.gz OXHZNRZCINNVQJ-VXGBXAGGSA-N 1 2 337.376 1.899 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000339473729 142054482 /nfs/dbraw/zinc/05/44/82/142054482.db2.gz STNWAIDJJILOLZ-NSHDSACASA-N 1 2 332.364 1.276 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000339783191 142154535 /nfs/dbraw/zinc/15/45/35/142154535.db2.gz UGIRQYCSCSODMS-UHFFFAOYSA-N 1 2 337.376 1.315 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000344936551 143028659 /nfs/dbraw/zinc/02/86/59/143028659.db2.gz RQJKURDRZDWJJX-LLVKDONJSA-N 1 2 338.364 1.115 20 5 EDBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000344936551 143028660 /nfs/dbraw/zinc/02/86/60/143028660.db2.gz RQJKURDRZDWJJX-LLVKDONJSA-N 1 2 338.364 1.115 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000346879890 143255296 /nfs/dbraw/zinc/25/52/96/143255296.db2.gz OKBKADGJJJFBFX-ONGXEEELSA-N 1 2 334.336 1.304 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000346879890 143255297 /nfs/dbraw/zinc/25/52/97/143255297.db2.gz OKBKADGJJJFBFX-ONGXEEELSA-N 1 2 334.336 1.304 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353129442 149298806 /nfs/dbraw/zinc/29/88/06/149298806.db2.gz PYVGFPSSBNVCRM-UHFFFAOYSA-N 1 2 327.304 1.137 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353385070 149387442 /nfs/dbraw/zinc/38/74/42/149387442.db2.gz JLNAEQNEUHGGBE-DUVNUKRYSA-N 1 2 328.372 1.944 20 5 EDBDLO CSc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355067348 150100765 /nfs/dbraw/zinc/10/07/65/150100765.db2.gz JWDDRXVLKSFJAB-NSHDSACASA-N 1 2 339.417 1.767 20 5 EDBDLO CSc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355067348 150100767 /nfs/dbraw/zinc/10/07/67/150100767.db2.gz JWDDRXVLKSFJAB-NSHDSACASA-N 1 2 339.417 1.767 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000355073545 150104402 /nfs/dbraw/zinc/10/44/02/150104402.db2.gz BFECBRPEHZKRRO-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000355073545 150104406 /nfs/dbraw/zinc/10/44/06/150104406.db2.gz BFECBRPEHZKRRO-JTQLQIEISA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCNC(=O)N(C)C ZINC000355078185 150107067 /nfs/dbraw/zinc/10/70/67/150107067.db2.gz ZSQQYKHMWQLUHN-LLVKDONJSA-N 1 2 337.380 1.125 20 5 EDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCNC(=O)N(C)C ZINC000355078185 150107069 /nfs/dbraw/zinc/10/70/69/150107069.db2.gz ZSQQYKHMWQLUHN-LLVKDONJSA-N 1 2 337.380 1.125 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000355247618 150183750 /nfs/dbraw/zinc/18/37/50/150183750.db2.gz FTLMKDRZKBEMRU-UHFFFAOYSA-N 1 2 326.316 1.444 20 5 EDBDLO CCOc1cc(C(=O)NCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC000355272595 150194892 /nfs/dbraw/zinc/19/48/92/150194892.db2.gz UTGSITXBTLBTFX-UHFFFAOYSA-N 1 2 334.332 1.666 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376174262 286249218 /nfs/dbraw/zinc/24/92/18/286249218.db2.gz QLTGDKIBMCOCRO-GXTWGEPZSA-N 1 2 349.387 1.539 20 5 EDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358292592 151328520 /nfs/dbraw/zinc/32/85/20/151328520.db2.gz VIOCRHHVRUCPAF-GFCCVEGCSA-N 1 2 344.375 1.587 20 5 EDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358292592 151328522 /nfs/dbraw/zinc/32/85/22/151328522.db2.gz VIOCRHHVRUCPAF-GFCCVEGCSA-N 1 2 344.375 1.587 20 5 EDBDLO Cc1cccc(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)[nH+]1 ZINC000359841364 151840271 /nfs/dbraw/zinc/84/02/71/151840271.db2.gz JOGIRCQCBSZHNV-UHFFFAOYSA-N 1 2 336.373 1.600 20 5 EDBDLO CNc1c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000361219358 152338560 /nfs/dbraw/zinc/33/85/60/152338560.db2.gz DQGMYQCATRFSNV-NWDGAFQWSA-N 1 2 336.392 1.476 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000363933658 153101123 /nfs/dbraw/zinc/10/11/23/153101123.db2.gz HZEVEFRQLKFBKO-LBPRGKRZSA-N 1 2 335.360 1.150 20 5 EDBDLO CCn1cnnc1[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000364672772 153300392 /nfs/dbraw/zinc/30/03/92/153300392.db2.gz LHBPDEVVFJQHID-GJZGRUSLSA-N 1 2 347.375 1.313 20 5 EDBDLO CCn1cnnc1[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000364672772 153300394 /nfs/dbraw/zinc/30/03/94/153300394.db2.gz LHBPDEVVFJQHID-GJZGRUSLSA-N 1 2 347.375 1.313 20 5 EDBDLO COc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000368012611 154367729 /nfs/dbraw/zinc/36/77/29/154367729.db2.gz UXAXANZGDGYANO-UHFFFAOYSA-N 1 2 338.345 1.004 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369503239 155062736 /nfs/dbraw/zinc/06/27/36/155062736.db2.gz JRXLKIWQOVTSSJ-GFCCVEGCSA-N 1 2 343.387 1.850 20 5 EDBDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000371735459 156083333 /nfs/dbraw/zinc/08/33/33/156083333.db2.gz KEKRWNFZHRIBLP-UHFFFAOYSA-N 1 2 343.343 1.389 20 5 EDBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159141222 225154405 /nfs/dbraw/zinc/15/44/05/225154405.db2.gz SCLMQYDPTHFEJY-UHFFFAOYSA-N 1 2 345.359 1.080 20 5 EDBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159141222 225154409 /nfs/dbraw/zinc/15/44/09/225154409.db2.gz SCLMQYDPTHFEJY-UHFFFAOYSA-N 1 2 345.359 1.080 20 5 EDBDLO Cc1c(CC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000123204137 222233626 /nfs/dbraw/zinc/23/36/26/222233626.db2.gz BKRNJFMGJQXSIW-OAHLLOKOSA-N 1 2 333.388 1.425 20 5 EDBDLO Cc1c(CC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cccc1[N+](=O)[O-] ZINC000123204137 222233628 /nfs/dbraw/zinc/23/36/28/222233628.db2.gz BKRNJFMGJQXSIW-OAHLLOKOSA-N 1 2 333.388 1.425 20 5 EDBDLO C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154173738 287639282 /nfs/dbraw/zinc/63/92/82/287639282.db2.gz LLCUUYAEZLJZFN-YPMHNXCESA-N 1 2 346.343 1.002 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273461484 268044804 /nfs/dbraw/zinc/04/48/04/268044804.db2.gz MZMONVWDJJGHHE-JTQLQIEISA-N 1 2 326.328 1.576 20 5 EDBDLO O=[N+]([O-])c1ccc2c(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)c[nH]c2c1 ZINC000274153491 268109475 /nfs/dbraw/zinc/10/94/75/268109475.db2.gz XNTLBCOFHFEOAP-CQSZACIVSA-N 1 2 340.343 1.798 20 5 EDBDLO C[C@H](O)C[NH+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275127457 268284508 /nfs/dbraw/zinc/28/45/08/268284508.db2.gz JOEYITZJYKTGOM-NSHDSACASA-N 1 2 343.330 1.212 20 5 EDBDLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275751535 268372272 /nfs/dbraw/zinc/37/22/72/268372272.db2.gz RUOBHKOEIXWUTN-WDEREUQCSA-N 1 2 332.364 1.791 20 5 EDBDLO CCN1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000273557039 273044385 /nfs/dbraw/zinc/04/43/85/273044385.db2.gz WAIJOPCTUNFOCZ-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO CCN1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000273557039 273044386 /nfs/dbraw/zinc/04/43/86/273044386.db2.gz WAIJOPCTUNFOCZ-UHFFFAOYSA-N 1 2 334.376 1.396 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000276356354 273163069 /nfs/dbraw/zinc/16/30/69/273163069.db2.gz ROFMESQTWSKHBG-IAQYHMDHSA-N 1 2 345.359 1.561 20 5 EDBDLO CCOc1cc(CS(=O)(=O)Cc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000277623234 273212739 /nfs/dbraw/zinc/21/27/39/273212739.db2.gz ZENQOJPMCUWRGL-UHFFFAOYSA-N 1 2 339.373 1.842 20 5 EDBDLO CN(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1c[nH+]cn1C ZINC000280814715 273402025 /nfs/dbraw/zinc/40/20/25/273402025.db2.gz ROMAEVRWYCIBOW-OAHLLOKOSA-N 1 2 346.391 1.159 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284377833 274180876 /nfs/dbraw/zinc/18/08/76/274180876.db2.gz FTVVNENPYNJCPU-HOTGVXAUSA-N 1 2 348.403 1.206 20 5 EDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284377833 274180878 /nfs/dbraw/zinc/18/08/78/274180878.db2.gz FTVVNENPYNJCPU-HOTGVXAUSA-N 1 2 348.403 1.206 20 5 EDBDLO CCn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1CCOCC1 ZINC000284507172 274227181 /nfs/dbraw/zinc/22/71/81/274227181.db2.gz HPJNMCDNSBTJNA-GFCCVEGCSA-N 1 2 347.379 1.763 20 5 EDBDLO CN1CCO[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000284777815 274327809 /nfs/dbraw/zinc/32/78/09/274327809.db2.gz NBMNHQCKCWKBHG-LSDHHAIUSA-N 1 2 336.348 1.408 20 5 EDBDLO CN1CCO[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000284777815 274327810 /nfs/dbraw/zinc/32/78/10/274327810.db2.gz NBMNHQCKCWKBHG-LSDHHAIUSA-N 1 2 336.348 1.408 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000284777815 274327811 /nfs/dbraw/zinc/32/78/11/274327811.db2.gz NBMNHQCKCWKBHG-LSDHHAIUSA-N 1 2 336.348 1.408 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000284777815 274327812 /nfs/dbraw/zinc/32/78/12/274327812.db2.gz NBMNHQCKCWKBHG-LSDHHAIUSA-N 1 2 336.348 1.408 20 5 EDBDLO Cc1noc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284887891 274374131 /nfs/dbraw/zinc/37/41/31/274374131.db2.gz NSLUYDADZNRDBE-GJZGRUSLSA-N 1 2 347.375 1.308 20 5 EDBDLO Cc1noc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C)n1 ZINC000284887891 274374134 /nfs/dbraw/zinc/37/41/34/274374134.db2.gz NSLUYDADZNRDBE-GJZGRUSLSA-N 1 2 347.375 1.308 20 5 EDBDLO Cc1c(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285706907 274624822 /nfs/dbraw/zinc/62/48/22/274624822.db2.gz HTSUPHPUTRUYHY-CZUORRHYSA-N 1 2 347.415 1.767 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000332494096 277120426 /nfs/dbraw/zinc/12/04/26/277120426.db2.gz BFKAOGPCEOZMIO-ZIAGYGMSSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000332494096 277120427 /nfs/dbraw/zinc/12/04/27/277120427.db2.gz BFKAOGPCEOZMIO-ZIAGYGMSSA-N 1 2 339.779 1.793 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000352273533 277122986 /nfs/dbraw/zinc/12/29/86/277122986.db2.gz JFIFEIOXKSRWIZ-ZIAGYGMSSA-N 1 2 330.344 1.231 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]21 ZINC000352273533 277122988 /nfs/dbraw/zinc/12/29/88/277122988.db2.gz JFIFEIOXKSRWIZ-ZIAGYGMSSA-N 1 2 330.344 1.231 20 5 EDBDLO CN(C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291605090 289122645 /nfs/dbraw/zinc/12/26/45/289122645.db2.gz CCEGXKVCZOHXMN-NSHDSACASA-N 1 2 343.330 1.507 20 5 EDBDLO CN(C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291605090 289122648 /nfs/dbraw/zinc/12/26/48/289122648.db2.gz CCEGXKVCZOHXMN-NSHDSACASA-N 1 2 343.330 1.507 20 5 EDBDLO COc1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292261417 289300487 /nfs/dbraw/zinc/30/04/87/289300487.db2.gz PNHARWJOHVCCSH-GFCCVEGCSA-N 1 2 328.390 1.470 20 5 EDBDLO COc1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292261417 289300489 /nfs/dbraw/zinc/30/04/89/289300489.db2.gz PNHARWJOHVCCSH-GFCCVEGCSA-N 1 2 328.390 1.470 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000267282257 302043739 /nfs/dbraw/zinc/04/37/39/302043739.db2.gz PCRYDOUYCRKKQX-UHFFFAOYSA-N 1 2 348.384 1.943 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362894978 302043950 /nfs/dbraw/zinc/04/39/50/302043950.db2.gz HAZPGPJBSNTYDK-CQSZACIVSA-N 1 2 341.433 1.864 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000362894978 302043952 /nfs/dbraw/zinc/04/39/52/302043952.db2.gz HAZPGPJBSNTYDK-CQSZACIVSA-N 1 2 341.433 1.864 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000046033789 302043990 /nfs/dbraw/zinc/04/39/90/302043990.db2.gz ZMIYDBPFFUJUGE-UHFFFAOYSA-N 1 2 341.433 1.866 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294391471 303101143 /nfs/dbraw/zinc/10/11/43/303101143.db2.gz HWNMGTTXSXDZRO-CYBMUJFWSA-N 1 2 349.387 1.395 20 5 EDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000298020234 303487933 /nfs/dbraw/zinc/48/79/33/303487933.db2.gz DNLZLFUHRJWMCD-SNVBAGLBSA-N 1 2 334.298 1.425 20 5 EDBDLO C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1n1cc[nH+]c1 ZINC000301971394 303705411 /nfs/dbraw/zinc/70/54/11/303705411.db2.gz SGDOLPHLEONMIJ-VXGBXAGGSA-N 1 2 327.348 1.922 20 5 EDBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000428054137 305005938 /nfs/dbraw/zinc/00/59/38/305005938.db2.gz NMBGXVREXFZQCL-ZDUSSCGKSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000428054137 305005939 /nfs/dbraw/zinc/00/59/39/305005939.db2.gz NMBGXVREXFZQCL-ZDUSSCGKSA-N 1 2 337.376 1.444 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000428064831 305006471 /nfs/dbraw/zinc/00/64/71/305006471.db2.gz RNDSFERYFWSKOI-GFCCVEGCSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000428064831 305006472 /nfs/dbraw/zinc/00/64/72/305006472.db2.gz RNDSFERYFWSKOI-GFCCVEGCSA-N 1 2 325.340 1.575 20 5 EDBDLO CC[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000447816677 305286230 /nfs/dbraw/zinc/28/62/30/305286230.db2.gz MGCWGFFNAZTBRN-WMLDXEAASA-N 1 2 335.404 1.634 20 5 EDBDLO C[C@H]1COCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451188761 305333601 /nfs/dbraw/zinc/33/36/01/305333601.db2.gz VBLXDADEIXTPAE-WCQYABFASA-N 1 2 330.344 1.935 20 5 EDBDLO C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451457923 305347764 /nfs/dbraw/zinc/34/77/64/305347764.db2.gz MIJQQIVFHXRLFF-ZYHUDNBSSA-N 1 2 343.343 1.177 20 5 EDBDLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493735461 305624846 /nfs/dbraw/zinc/62/48/46/305624846.db2.gz BUHBVORAOZLDOZ-GEIFVHNQSA-N 1 2 328.332 1.439 20 5 EDBDLO NC(=O)c1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000534336984 306006193 /nfs/dbraw/zinc/00/61/93/306006193.db2.gz RDJWGDLODPKWJX-UHFFFAOYSA-N 1 2 347.400 1.472 20 5 EDBDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000543542121 306064715 /nfs/dbraw/zinc/06/47/15/306064715.db2.gz MZRHBXRGQFXARJ-TVQRCGJNSA-N 1 2 331.332 1.742 20 5 EDBDLO COCCOC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449962427 447420578 /nfs/dbraw/zinc/42/05/78/447420578.db2.gz SZDGDDOCYOCWOB-GFCCVEGCSA-N 1 2 348.359 1.562 20 5 EDBDLO CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456639455 447430906 /nfs/dbraw/zinc/43/09/06/447430906.db2.gz RXAGBWYBQVSXJU-NSHDSACASA-N 1 2 346.343 1.850 20 5 EDBDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000007355372 441047444 /nfs/dbraw/zinc/04/74/44/441047444.db2.gz KDSNFDGIVKQEPE-HNNXBMFYSA-N 1 2 346.431 1.975 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000080542441 441178536 /nfs/dbraw/zinc/17/85/36/441178536.db2.gz VNXWEYMBSUMDIO-CYBMUJFWSA-N 1 2 332.404 1.692 20 5 EDBDLO CNc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000080920544 441207410 /nfs/dbraw/zinc/20/74/10/441207410.db2.gz QYYFZNSVUVONEK-AWEZNQCLSA-N 1 2 348.403 1.573 20 5 EDBDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596233 441380972 /nfs/dbraw/zinc/38/09/72/441380972.db2.gz WWWLRIRDLAFQJF-CHWSQXEVSA-N 1 2 335.408 1.415 20 5 EDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCO2 ZINC000026933931 441390487 /nfs/dbraw/zinc/39/04/87/441390487.db2.gz BYKRDHVNYSKETI-GFCCVEGCSA-N 1 2 335.360 1.761 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCn2cccn2)CC1 ZINC000064141574 441365341 /nfs/dbraw/zinc/36/53/41/441365341.db2.gz IIALYEKBLGDYJJ-UHFFFAOYSA-N 1 2 335.389 1.311 20 5 EDBDLO COc1cc(CCNC(=O)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000052356504 441447655 /nfs/dbraw/zinc/44/76/55/441447655.db2.gz FDKWBYZWXCXUBG-UHFFFAOYSA-N 1 2 334.332 1.167 20 5 EDBDLO COC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000053897762 441547122 /nfs/dbraw/zinc/54/71/22/441547122.db2.gz DAJUGOKILHAZPM-UHFFFAOYSA-N 1 2 337.332 1.373 20 5 EDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1-n1cc[nH+]c1 ZINC000066051009 441501525 /nfs/dbraw/zinc/50/15/25/441501525.db2.gz PSCBRZHMNISVEG-UHFFFAOYSA-N 1 2 340.343 1.684 20 5 EDBDLO O=C(NCCCn1cc[nH+]c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041749481 441670924 /nfs/dbraw/zinc/67/09/24/441670924.db2.gz IJAPIIIBLZLHJY-UHFFFAOYSA-N 1 2 340.343 1.797 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)CCO1 ZINC000068095655 441728525 /nfs/dbraw/zinc/72/85/25/441728525.db2.gz XYVIIVLJLKPOIQ-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)CCO1 ZINC000068095655 441728530 /nfs/dbraw/zinc/72/85/30/441728530.db2.gz XYVIIVLJLKPOIQ-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO O=C(NCCCn1cc[nH+]c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069376439 441924379 /nfs/dbraw/zinc/92/43/79/441924379.db2.gz FLQFVSKIOAHZAB-UHFFFAOYSA-N 1 2 333.348 1.560 20 5 EDBDLO CNC(=O)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000119789355 441952558 /nfs/dbraw/zinc/95/25/58/441952558.db2.gz BBTBFFHGJDBBIA-UHFFFAOYSA-N 1 2 345.359 1.379 20 5 EDBDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000175091683 442003407 /nfs/dbraw/zinc/00/34/07/442003407.db2.gz LQBPTHBZJIZNPX-AWEZNQCLSA-N 1 2 334.420 1.972 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121113439 442178902 /nfs/dbraw/zinc/17/89/02/442178902.db2.gz WIGHXOCLJAEPHN-ZDUSSCGKSA-N 1 2 331.332 1.175 20 5 EDBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(CC(F)(F)C(F)F)CC2)n1 ZINC000176244952 442198950 /nfs/dbraw/zinc/19/89/50/442198950.db2.gz VBNXHLFSLBTKKW-UHFFFAOYSA-N 1 2 339.293 1.309 20 5 EDBDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140893 442263257 /nfs/dbraw/zinc/26/32/57/442263257.db2.gz FQKIKAIEDTZWAI-GFCCVEGCSA-N 1 2 348.403 1.823 20 5 EDBDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140893 442263259 /nfs/dbraw/zinc/26/32/59/442263259.db2.gz FQKIKAIEDTZWAI-GFCCVEGCSA-N 1 2 348.403 1.823 20 5 EDBDLO C[C@@](O)(CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000153834610 442305998 /nfs/dbraw/zinc/30/59/98/442305998.db2.gz LIWKXVHFJHTRAK-CYBMUJFWSA-N 1 2 330.772 1.138 20 5 EDBDLO CCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000177504972 442350903 /nfs/dbraw/zinc/35/09/03/442350903.db2.gz UIFYPSUDLQCODL-ZYHUDNBSSA-N 1 2 332.364 1.800 20 5 EDBDLO CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000177504972 442350905 /nfs/dbraw/zinc/35/09/05/442350905.db2.gz UIFYPSUDLQCODL-ZYHUDNBSSA-N 1 2 332.364 1.800 20 5 EDBDLO CNC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000178854623 442503566 /nfs/dbraw/zinc/50/35/66/442503566.db2.gz WWZVZMBBBUBXBE-AWEZNQCLSA-N 1 2 345.359 1.281 20 5 EDBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000134353480 442472934 /nfs/dbraw/zinc/47/29/34/442472934.db2.gz CUEXAJCFSTXPOH-NSHDSACASA-N 1 2 345.396 1.636 20 5 EDBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000134353480 442472937 /nfs/dbraw/zinc/47/29/37/442472937.db2.gz CUEXAJCFSTXPOH-NSHDSACASA-N 1 2 345.396 1.636 20 5 EDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000157448338 442584448 /nfs/dbraw/zinc/58/44/48/442584448.db2.gz DMSYUKUYJMBGQI-AWEZNQCLSA-N 1 2 337.351 1.210 20 5 EDBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180411194 442598450 /nfs/dbraw/zinc/59/84/50/442598450.db2.gz WZLIHRBRSPBRCU-UHFFFAOYSA-N 1 2 326.259 1.823 20 5 EDBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182221370 442746976 /nfs/dbraw/zinc/74/69/76/442746976.db2.gz OBOHXOQPPFWBGU-GXTWGEPZSA-N 1 2 342.417 1.604 20 5 EDBDLO C[C@H]1CCC[C@H](CO)[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182221370 442746978 /nfs/dbraw/zinc/74/69/78/442746978.db2.gz OBOHXOQPPFWBGU-GXTWGEPZSA-N 1 2 342.417 1.604 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268186567 442889755 /nfs/dbraw/zinc/88/97/55/442889755.db2.gz MFPVNLHOHRJTOF-YMTOWFKASA-N 1 2 329.360 1.684 20 5 EDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268186567 442889756 /nfs/dbraw/zinc/88/97/56/442889756.db2.gz MFPVNLHOHRJTOF-YMTOWFKASA-N 1 2 329.360 1.684 20 5 EDBDLO Cc1nn(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000183362345 442924848 /nfs/dbraw/zinc/92/48/48/442924848.db2.gz OGHNIAZKVRBODC-GFCCVEGCSA-N 1 2 339.396 1.998 20 5 EDBDLO Cc1nn(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000183362345 442924853 /nfs/dbraw/zinc/92/48/53/442924853.db2.gz OGHNIAZKVRBODC-GFCCVEGCSA-N 1 2 339.396 1.998 20 5 EDBDLO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249312611 442967113 /nfs/dbraw/zinc/96/71/13/442967113.db2.gz DZAWYUVXOCRFCF-IUODEOHRSA-N 1 2 337.376 1.659 20 5 EDBDLO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249312611 442967116 /nfs/dbraw/zinc/96/71/16/442967116.db2.gz DZAWYUVXOCRFCF-IUODEOHRSA-N 1 2 337.376 1.659 20 5 EDBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000195401891 443015458 /nfs/dbraw/zinc/01/54/58/443015458.db2.gz GSSIBWKENBMDPX-UHFFFAOYSA-N 1 2 337.357 1.832 20 5 EDBDLO CC(=O)N1CC[NH+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296212424 318674060 /nfs/dbraw/zinc/67/40/60/318674060.db2.gz CSTCIQMSMIBZMS-UHFFFAOYSA-N 1 2 343.387 1.719 20 5 EDBDLO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184619755 443050295 /nfs/dbraw/zinc/05/02/95/443050295.db2.gz DANXJEVNJVNXSX-TXEJJXNPSA-N 1 2 337.376 1.530 20 5 EDBDLO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184619755 443050299 /nfs/dbraw/zinc/05/02/99/443050299.db2.gz DANXJEVNJVNXSX-TXEJJXNPSA-N 1 2 337.376 1.530 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351245565 319098146 /nfs/dbraw/zinc/09/81/46/319098146.db2.gz QONCLAQBMVMDDC-ONGXEEELSA-N 1 2 348.363 1.856 20 5 EDBDLO CCc1[nH]nc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351245565 319098148 /nfs/dbraw/zinc/09/81/48/319098148.db2.gz QONCLAQBMVMDDC-ONGXEEELSA-N 1 2 348.363 1.856 20 5 EDBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188172 443255737 /nfs/dbraw/zinc/25/57/37/443255737.db2.gz BGOGYOIFJCHQFI-OSAQELSMSA-N 1 2 347.371 1.467 20 5 EDBDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191188172 443255742 /nfs/dbraw/zinc/25/57/42/443255742.db2.gz BGOGYOIFJCHQFI-OSAQELSMSA-N 1 2 347.371 1.467 20 5 EDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185864541 443271084 /nfs/dbraw/zinc/27/10/84/443271084.db2.gz WXMRQZHCRXYTBH-LLVKDONJSA-N 1 2 345.359 1.524 20 5 EDBDLO O=C(c1ccsc1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267108676 443344410 /nfs/dbraw/zinc/34/44/10/443344410.db2.gz WTGLNTOJUPJBNL-UHFFFAOYSA-N 1 2 335.389 1.311 20 5 EDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267071835 443332315 /nfs/dbraw/zinc/33/23/15/443332315.db2.gz WAIJHFGAEIORHI-UHFFFAOYSA-N 1 2 331.369 1.248 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]CCn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000272552898 443360666 /nfs/dbraw/zinc/36/06/66/443360666.db2.gz RRVZHGQEAHALHE-CQSZACIVSA-N 1 2 327.348 1.299 20 5 EDBDLO Cc1cccn2cc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000264744964 443402335 /nfs/dbraw/zinc/40/23/35/443402335.db2.gz KJSIQWFKANXDEB-UHFFFAOYSA-N 1 2 328.332 1.454 20 5 EDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272929797 443492517 /nfs/dbraw/zinc/49/25/17/443492517.db2.gz CAFBFFCHCORYCY-XHDPSFHLSA-N 1 2 343.343 1.489 20 5 EDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272817789 443455713 /nfs/dbraw/zinc/45/57/13/443455713.db2.gz IKFUOUPLRQYLIK-WCBMZHEXSA-N 1 2 345.446 1.954 20 5 EDBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272817789 443455717 /nfs/dbraw/zinc/45/57/17/443455717.db2.gz IKFUOUPLRQYLIK-WCBMZHEXSA-N 1 2 345.446 1.954 20 5 EDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(CC(F)F)CC1 ZINC000273082893 443534389 /nfs/dbraw/zinc/53/43/89/443534389.db2.gz XYUYNJGOQLYEBT-GFCCVEGCSA-N 1 2 345.346 1.217 20 5 EDBDLO C[C@H]1OCC[C@@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279373017 443567821 /nfs/dbraw/zinc/56/78/21/443567821.db2.gz DXHHZJBNRVJICF-BDJLRTHQSA-N 1 2 346.343 1.050 20 5 EDBDLO C[C@H]1OCC[C@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279373021 443567999 /nfs/dbraw/zinc/56/79/99/443567999.db2.gz DXHHZJBNRVJICF-BZNIZROVSA-N 1 2 346.343 1.050 20 5 EDBDLO Cn1c[nH+]cc1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000267814675 443585783 /nfs/dbraw/zinc/58/57/83/443585783.db2.gz VESYLDPYVUXSOA-OAHLLOKOSA-N 1 2 329.316 1.296 20 5 EDBDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)[nH+]1 ZINC000427181272 319892334 /nfs/dbraw/zinc/89/23/34/319892334.db2.gz DQWYQVDFUYIDPL-UHFFFAOYSA-N 1 2 327.304 1.524 20 5 EDBDLO CCC(=O)c1ccc(NC[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000279989303 443653995 /nfs/dbraw/zinc/65/39/95/443653995.db2.gz GLZUCLBAMBRUPW-ZDUSSCGKSA-N 1 2 337.376 1.293 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)[C@H]3CCCO3)n2)cc1 ZINC000447924964 320147213 /nfs/dbraw/zinc/14/72/13/320147213.db2.gz XTWLZJQOEUDHGF-CHWSQXEVSA-N 1 2 334.332 1.274 20 5 EDBDLO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccn(C)n1 ZINC000459788593 320349716 /nfs/dbraw/zinc/34/97/16/320349716.db2.gz LSSMWVRKDLELDX-XHDPSFHLSA-N 1 2 329.360 1.784 20 5 EDBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1c(F)cccc1F ZINC000285386506 443964701 /nfs/dbraw/zinc/96/47/01/443964701.db2.gz DEQHNJYJGWQAJT-LLVKDONJSA-N 1 2 339.302 1.629 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000299298133 444009957 /nfs/dbraw/zinc/00/99/57/444009957.db2.gz YFQRYFSWOSMMAO-UHFFFAOYSA-N 1 2 347.824 1.883 20 5 EDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)cc1OC ZINC000299308334 444012847 /nfs/dbraw/zinc/01/28/47/444012847.db2.gz AXIZZRCBGHRLHX-UHFFFAOYSA-N 1 2 349.387 1.922 20 5 EDBDLO CC(C)(NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000573259041 321446772 /nfs/dbraw/zinc/44/67/72/321446772.db2.gz DUIWHASPJIEVPN-UHFFFAOYSA-N 1 2 345.359 1.489 20 5 EDBDLO CC(C)(NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1[nH]cc[nH+]1 ZINC000573379487 321452398 /nfs/dbraw/zinc/45/23/98/321452398.db2.gz JKHKRHUTKUXQPJ-UHFFFAOYSA-N 1 2 346.343 1.683 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000302081117 444203515 /nfs/dbraw/zinc/20/35/15/444203515.db2.gz JAOBMLMEBNREOT-UHFFFAOYSA-N 1 2 337.376 1.904 20 5 EDBDLO Cc1cc(N2C[C@H](CO)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302788603 444224044 /nfs/dbraw/zinc/22/40/44/444224044.db2.gz XNWGSNHJKCYOLN-SWLSCSKDSA-N 1 2 344.371 1.946 20 5 EDBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C[NH+]1CCOCC1 ZINC000298097461 444414644 /nfs/dbraw/zinc/41/46/44/444414644.db2.gz SEJUKRPDMYAYEW-AWEZNQCLSA-N 1 2 343.811 1.373 20 5 EDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CN1CCOCC1 ZINC000298097461 444414648 /nfs/dbraw/zinc/41/46/48/444414648.db2.gz SEJUKRPDMYAYEW-AWEZNQCLSA-N 1 2 343.811 1.373 20 5 EDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CN1CCOCC1 ZINC000298097461 444414650 /nfs/dbraw/zinc/41/46/50/444414650.db2.gz SEJUKRPDMYAYEW-AWEZNQCLSA-N 1 2 343.811 1.373 20 5 EDBDLO COc1c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000331057478 444377087 /nfs/dbraw/zinc/37/70/87/444377087.db2.gz LVBMLZDUPIYQKV-IUODEOHRSA-N 1 2 349.387 1.396 20 5 EDBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331413317 444471170 /nfs/dbraw/zinc/47/11/70/444471170.db2.gz RWBVWLXUFBGLRV-HOCLYGCPSA-N 1 2 349.387 1.512 20 5 EDBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331413317 444471171 /nfs/dbraw/zinc/47/11/71/444471171.db2.gz RWBVWLXUFBGLRV-HOCLYGCPSA-N 1 2 349.387 1.512 20 5 EDBDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1=O ZINC000340773645 444505995 /nfs/dbraw/zinc/50/59/95/444505995.db2.gz JBLCEYOHNYMMFW-GFCCVEGCSA-N 1 2 330.348 1.326 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000342183178 444552020 /nfs/dbraw/zinc/55/20/20/444552020.db2.gz XCYXTAVJUVNOPJ-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000342183178 444552022 /nfs/dbraw/zinc/55/20/22/444552022.db2.gz XCYXTAVJUVNOPJ-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000342183178 444552030 /nfs/dbraw/zinc/55/20/30/444552030.db2.gz XCYXTAVJUVNOPJ-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000342183178 444552031 /nfs/dbraw/zinc/55/20/31/444552031.db2.gz XCYXTAVJUVNOPJ-CVEARBPZSA-N 1 2 348.403 1.247 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000341374849 444800854 /nfs/dbraw/zinc/80/08/54/444800854.db2.gz QWQBINUXQVYRAQ-HZPDHXFCSA-N 1 2 348.403 1.518 20 5 EDBDLO Cc1c(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000341374849 444800860 /nfs/dbraw/zinc/80/08/60/444800860.db2.gz QWQBINUXQVYRAQ-HZPDHXFCSA-N 1 2 348.403 1.518 20 5 EDBDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000344202275 444836230 /nfs/dbraw/zinc/83/62/30/444836230.db2.gz NYOULNPKOAZQTP-CYBMUJFWSA-N 1 2 337.376 1.387 20 5 EDBDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000344202275 444836234 /nfs/dbraw/zinc/83/62/34/444836234.db2.gz NYOULNPKOAZQTP-CYBMUJFWSA-N 1 2 337.376 1.387 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1 ZINC000339068571 445018001 /nfs/dbraw/zinc/01/80/01/445018001.db2.gz RCLJKIGMZFSVEV-VXGBXAGGSA-N 1 2 341.433 1.925 20 5 EDBDLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000330821375 445154447 /nfs/dbraw/zinc/15/44/47/445154447.db2.gz FZWSQYAUMKNTBA-DOMZBBRYSA-N 1 2 342.417 1.461 20 5 EDBDLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO 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GBQZRLPIZYUUQS-UHFFFAOYSA-N 1 2 326.316 1.701 20 5 EDBDLO O=C(CCc1c[nH+]c[nH]1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000352155776 697091270 /nfs/dbraw/zinc/09/12/70/697091270.db2.gz GBQZRLPIZYUUQS-UHFFFAOYSA-N 1 2 326.316 1.701 20 5 EDBDLO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccns1 ZINC001031707231 697700417 /nfs/dbraw/zinc/70/04/17/697700417.db2.gz UQHVIJKYHHNLQX-UHFFFAOYSA-N 1 2 332.385 1.913 20 5 EDBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175462783 697757295 /nfs/dbraw/zinc/75/72/95/697757295.db2.gz MJBIGRUEYXPVCR-AWEZNQCLSA-N 1 2 335.360 1.951 20 5 EDBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175462783 697757298 /nfs/dbraw/zinc/75/72/98/697757298.db2.gz MJBIGRUEYXPVCR-AWEZNQCLSA-N 1 2 335.360 1.951 20 5 EDBDLO C[C@H]1CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000179518908 698162561 /nfs/dbraw/zinc/16/25/61/698162561.db2.gz WLMICNXVFCODIB-ZDUSSCGKSA-N 1 2 333.388 1.807 20 5 EDBDLO C[C@H]1CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000179518908 698162564 /nfs/dbraw/zinc/16/25/64/698162564.db2.gz WLMICNXVFCODIB-ZDUSSCGKSA-N 1 2 333.388 1.807 20 5 EDBDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000050992808 214075132 /nfs/dbraw/zinc/07/51/32/214075132.db2.gz FSECWFZGPNPAKC-NSHDSACASA-N 1 2 334.376 1.522 20 5 EDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055268929 214297561 /nfs/dbraw/zinc/29/75/61/214297561.db2.gz OEQTYMXMBZQXFJ-UHFFFAOYSA-N 1 2 339.417 1.620 20 5 EDBDLO C[C@@H]1C[N@H+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CCO1 ZINC000412999056 304048790 /nfs/dbraw/zinc/04/87/90/304048790.db2.gz KCPVQQHGTIMFBQ-LLVKDONJSA-N 1 2 334.332 1.132 20 5 EDBDLO C[C@@H]1C[N@@H+](CCn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CCO1 ZINC000412999056 304048792 /nfs/dbraw/zinc/04/87/92/304048792.db2.gz KCPVQQHGTIMFBQ-LLVKDONJSA-N 1 2 334.332 1.132 20 5 EDBDLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000563359743 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O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)[C@H]3CCCO3)o2)cc1 ZINC000447914544 254628363 /nfs/dbraw/zinc/62/83/63/254628363.db2.gz PFOCKYADDFWXBW-CHWSQXEVSA-N 1 2 334.332 1.274 20 5 EDBDLO NS(=O)(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000491834095 255151202 /nfs/dbraw/zinc/15/12/02/255151202.db2.gz XFPWVGFCYVHORY-UHFFFAOYSA-N 1 2 333.797 1.501 20 5 EDBDLO Cc1nn(CCC(=O)NCCCNc2cccc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000118725176 221174474 /nfs/dbraw/zinc/17/44/74/221174474.db2.gz LJAVRLMKQPUASX-UHFFFAOYSA-N 1 2 346.391 1.812 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000264307670 139395781 /nfs/dbraw/zinc/39/57/81/139395781.db2.gz GAFOBBRKURTNGL-UHFFFAOYSA-N 1 2 347.423 1.602 20 5 EDBDLO COC(=O)[C@]1(F)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000267625602 139644059 /nfs/dbraw/zinc/64/40/59/139644059.db2.gz FMXXTDDNOKUKSC-HNNXBMFYSA-N 1 2 342.323 1.569 20 5 EDBDLO COC(=O)[C@]1(F)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000267625602 139644060 /nfs/dbraw/zinc/64/40/60/139644060.db2.gz FMXXTDDNOKUKSC-HNNXBMFYSA-N 1 2 342.323 1.569 20 5 EDBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000270983934 140213462 /nfs/dbraw/zinc/21/34/62/140213462.db2.gz XOUCAAXSPKOOCW-LBPRGKRZSA-N 1 2 330.344 1.933 20 5 EDBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000270983934 140213464 /nfs/dbraw/zinc/21/34/64/140213464.db2.gz XOUCAAXSPKOOCW-LBPRGKRZSA-N 1 2 330.344 1.933 20 5 EDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)CCC2 ZINC000331527635 141043426 /nfs/dbraw/zinc/04/34/26/141043426.db2.gz MUZUWUHOKGFQDV-NSHDSACASA-N 1 2 332.364 1.449 20 5 EDBDLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000339599362 142088439 /nfs/dbraw/zinc/08/84/39/142088439.db2.gz HOYIVHGIPKVBHQ-LLVKDONJSA-N 1 2 326.303 1.562 20 5 EDBDLO C[N@H+](Cc1c(F)cccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000339599362 142088440 /nfs/dbraw/zinc/08/84/40/142088440.db2.gz HOYIVHGIPKVBHQ-LLVKDONJSA-N 1 2 326.303 1.562 20 5 EDBDLO Cc1cc(NCCn2cncn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339676853 142116691 /nfs/dbraw/zinc/11/66/91/142116691.db2.gz FMGTZGHSBHDLOG-UHFFFAOYSA-N 1 2 325.332 1.486 20 5 EDBDLO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[N@@H+]1C ZINC000345034487 143041827 /nfs/dbraw/zinc/04/18/27/143041827.db2.gz OPSWVLHIOFXJNY-JQWIXIFHSA-N 1 2 327.406 1.893 20 5 EDBDLO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[N@H+]1C ZINC000345034487 143041828 /nfs/dbraw/zinc/04/18/28/143041828.db2.gz OPSWVLHIOFXJNY-JQWIXIFHSA-N 1 2 327.406 1.893 20 5 EDBDLO Cc1[nH+]c[nH]c1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353159047 149306935 /nfs/dbraw/zinc/30/69/35/149306935.db2.gz HGLIOZJLPUAVKI-UHFFFAOYSA-N 1 2 349.372 1.134 20 5 EDBDLO CCn1ncnc1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355612942 150336390 /nfs/dbraw/zinc/33/63/90/150336390.db2.gz XNYINWFCERTJEB-UHFFFAOYSA-N 1 2 349.347 1.048 20 5 EDBDLO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000356145454 150528964 /nfs/dbraw/zinc/52/89/64/150528964.db2.gz FAXYCFAQUJJMJC-LBPRGKRZSA-N 1 2 337.376 1.396 20 5 EDBDLO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000356145454 150528967 /nfs/dbraw/zinc/52/89/67/150528967.db2.gz FAXYCFAQUJJMJC-LBPRGKRZSA-N 1 2 337.376 1.396 20 5 EDBDLO CCn1ncnc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000357944656 151204924 /nfs/dbraw/zinc/20/49/24/151204924.db2.gz NHMLDVUFVQLDLV-UHFFFAOYSA-N 1 2 341.331 1.322 20 5 EDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000360441281 152045536 /nfs/dbraw/zinc/04/55/36/152045536.db2.gz FRRJRXJKXVOEOZ-UHFFFAOYSA-N 1 2 345.359 1.413 20 5 EDBDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361261203 152348141 /nfs/dbraw/zinc/34/81/41/152348141.db2.gz PXQKTMPHASZCBZ-HNNXBMFYSA-N 1 2 348.359 1.217 20 5 EDBDLO CCc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000362163475 152632453 /nfs/dbraw/zinc/63/24/53/152632453.db2.gz JABXWUHYVDDJRE-UHFFFAOYSA-N 1 2 341.331 1.391 20 5 EDBDLO COc1cc(OCC(=O)N[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000364033540 153128728 /nfs/dbraw/zinc/12/87/28/153128728.db2.gz LYSZHUIZMCOICD-LLVKDONJSA-N 1 2 346.343 1.310 20 5 EDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000374334609 157249636 /nfs/dbraw/zinc/24/96/36/157249636.db2.gz XGNDXOWHVKAWPJ-SNVBAGLBSA-N 1 2 345.315 1.866 20 5 EDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374392557 157273264 /nfs/dbraw/zinc/27/32/64/157273264.db2.gz YTZSDCZPBHVXCA-INIZCTEOSA-N 1 2 342.355 1.542 20 5 EDBDLO COc1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)ccc1[N+](=O)[O-] ZINC000352407237 162166636 /nfs/dbraw/zinc/16/66/36/162166636.db2.gz SWDSKVHPVFHIEB-AWEZNQCLSA-N 1 2 332.360 1.701 20 5 EDBDLO COc1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)ccc1[N+](=O)[O-] ZINC000352407237 162166641 /nfs/dbraw/zinc/16/66/41/162166641.db2.gz SWDSKVHPVFHIEB-AWEZNQCLSA-N 1 2 332.360 1.701 20 5 EDBDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000073604871 287262319 /nfs/dbraw/zinc/26/23/19/287262319.db2.gz AIXUUKHRYZWQBX-AWEZNQCLSA-N 1 2 334.420 1.974 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nncn2C)c([N+](=O)[O-])c1 ZINC000157032014 224759419 /nfs/dbraw/zinc/75/94/19/224759419.db2.gz XLEQIKHWEWBMAV-CYBMUJFWSA-N 1 2 347.375 1.948 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2nncn2C)c([N+](=O)[O-])c1 ZINC000157032014 224759423 /nfs/dbraw/zinc/75/94/23/224759423.db2.gz XLEQIKHWEWBMAV-CYBMUJFWSA-N 1 2 347.375 1.948 20 5 EDBDLO Cc1cc(N2C[C@@H](O)C[C@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274652169 268177130 /nfs/dbraw/zinc/17/71/30/268177130.db2.gz SUHKLRZNENNPJN-KBPBESRZSA-N 1 2 330.344 1.292 20 5 EDBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000273675226 273051742 /nfs/dbraw/zinc/05/17/42/273051742.db2.gz ZYMZLIPZWSPDQG-SECBINFHSA-N 1 2 347.400 1.995 20 5 EDBDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275607188 273112408 /nfs/dbraw/zinc/11/24/08/273112408.db2.gz IOXLVFHYQDTQLQ-LBPRGKRZSA-N 1 2 346.366 1.817 20 5 EDBDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275607188 273112410 /nfs/dbraw/zinc/11/24/10/273112410.db2.gz IOXLVFHYQDTQLQ-LBPRGKRZSA-N 1 2 346.366 1.817 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000277025131 273177678 /nfs/dbraw/zinc/17/76/78/273177678.db2.gz FFERNIBXCCCLJW-UHFFFAOYSA-N 1 2 330.344 1.994 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CC[C@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1 ZINC000277278706 273186554 /nfs/dbraw/zinc/18/65/54/273186554.db2.gz SCJCMPDKEZBNPQ-DAOPMYJZSA-N 1 2 342.417 1.825 20 5 EDBDLO COc1ccc(OCC[N@H+]2CC[C@H](C)[S@](=O)CC2)c([N+](=O)[O-])c1 ZINC000277278706 273186555 /nfs/dbraw/zinc/18/65/55/273186555.db2.gz SCJCMPDKEZBNPQ-DAOPMYJZSA-N 1 2 342.417 1.825 20 5 EDBDLO CNC(=O)c1ccc(N(C)[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278892127 273268142 /nfs/dbraw/zinc/26/81/42/273268142.db2.gz PULMPNCEGUURKQ-LBPRGKRZSA-N 1 2 336.392 1.111 20 5 EDBDLO O=C(CCc1[nH]cc[nH+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000279127539 273282035 /nfs/dbraw/zinc/28/20/35/273282035.db2.gz DQACQSHIXVOVNK-UHFFFAOYSA-N 1 2 329.360 1.599 20 5 EDBDLO Cc1cc(OCC(=O)N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000280405805 273359131 /nfs/dbraw/zinc/35/91/31/273359131.db2.gz ALOSGFWZBFXVMR-CYBMUJFWSA-N 1 2 337.376 1.119 20 5 EDBDLO O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191161858 287703161 /nfs/dbraw/zinc/70/31/61/287703161.db2.gz HVKDRSWQXVGSNL-YPMHNXCESA-N 1 2 330.344 1.671 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284646312 274278005 /nfs/dbraw/zinc/27/80/05/274278005.db2.gz VYMXZHDTAGLZNL-KBPBESRZSA-N 1 2 349.387 1.539 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284646312 274278006 /nfs/dbraw/zinc/27/80/06/274278006.db2.gz VYMXZHDTAGLZNL-KBPBESRZSA-N 1 2 349.387 1.539 20 5 EDBDLO CN(CCCn1cc[nH+]c1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286080171 287930197 /nfs/dbraw/zinc/93/01/97/287930197.db2.gz CVRGSOBCOKTSOZ-UHFFFAOYSA-N 1 2 328.332 1.967 20 5 EDBDLO CNC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286499516 288020493 /nfs/dbraw/zinc/02/04/93/288020493.db2.gz YBQHMHCRRQZDNV-OCCSQVGLSA-N 1 2 348.403 1.254 20 5 EDBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000348313864 288070843 /nfs/dbraw/zinc/07/08/43/288070843.db2.gz RWJIVXIFJZCKDJ-SECBINFHSA-N 1 2 333.797 1.573 20 5 EDBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000348313864 288070844 /nfs/dbraw/zinc/07/08/44/288070844.db2.gz RWJIVXIFJZCKDJ-SECBINFHSA-N 1 2 333.797 1.573 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000287319640 288208846 /nfs/dbraw/zinc/20/88/46/288208846.db2.gz MCSUEWLQFNUDTQ-WCQYABFASA-N 1 2 334.376 1.112 20 5 EDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287822246 288331694 /nfs/dbraw/zinc/33/16/94/288331694.db2.gz KZEJOPGOZMEBIA-CYBMUJFWSA-N 1 2 347.419 1.310 20 5 EDBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000292119623 289265815 /nfs/dbraw/zinc/26/58/15/289265815.db2.gz KCOULSMNNXPTAY-NXEZZACHSA-N 1 2 349.313 1.323 20 5 EDBDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000292119623 289265817 /nfs/dbraw/zinc/26/58/17/289265817.db2.gz KCOULSMNNXPTAY-NXEZZACHSA-N 1 2 349.313 1.323 20 5 EDBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000339070191 295196386 /nfs/dbraw/zinc/19/63/86/295196386.db2.gz ZCWRDTKPRMQLGO-GHMZBOCLSA-N 1 2 343.405 1.317 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377716378 447313138 /nfs/dbraw/zinc/31/31/38/447313138.db2.gz BHGXNDBPOVDYMP-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000377716378 447313139 /nfs/dbraw/zinc/31/31/39/447313139.db2.gz BHGXNDBPOVDYMP-GFCCVEGCSA-N 1 2 347.824 1.762 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408083875 301385363 /nfs/dbraw/zinc/38/53/63/301385363.db2.gz LCYCKTMEIZREHX-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408083875 301385368 /nfs/dbraw/zinc/38/53/68/301385368.db2.gz LCYCKTMEIZREHX-RYUDHWBXSA-N 1 2 327.406 1.616 20 5 EDBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]CC1(F)F ZINC000493395693 447316887 /nfs/dbraw/zinc/31/68/87/447316887.db2.gz FCAHQDKQPRIMAK-FOQNGQEVSA-N 1 2 325.315 1.969 20 5 EDBDLO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)[C@@H]2C1 ZINC000295128135 303176471 /nfs/dbraw/zinc/17/64/71/303176471.db2.gz XQKQTUIRWAYZDR-BXUZGUMPSA-N 1 2 339.417 1.529 20 5 EDBDLO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)[C@@H]2C1 ZINC000295128135 303176472 /nfs/dbraw/zinc/17/64/72/303176472.db2.gz XQKQTUIRWAYZDR-BXUZGUMPSA-N 1 2 339.417 1.529 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000295848158 303275053 /nfs/dbraw/zinc/27/50/53/303275053.db2.gz WDVWFVHOIGHTKY-UHFFFAOYSA-N 1 2 333.304 1.958 20 5 EDBDLO C[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000296567822 303325089 /nfs/dbraw/zinc/32/50/89/303325089.db2.gz LKJZDRSTLMKCIY-STQMWFEESA-N 1 2 336.392 1.676 20 5 EDBDLO COc1ccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000298961616 303573557 /nfs/dbraw/zinc/57/35/57/303573557.db2.gz XTVIRPDCZKITNZ-LLVKDONJSA-N 1 2 333.348 1.688 20 5 EDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)s1 ZINC000302002222 303707185 /nfs/dbraw/zinc/70/71/85/303707185.db2.gz XEPVJURQFLTXOE-UHFFFAOYSA-N 1 2 330.391 1.759 20 5 EDBDLO COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448645239 305300748 /nfs/dbraw/zinc/30/07/48/305300748.db2.gz WDVSBSCKVCWUMB-CQSZACIVSA-N 1 2 346.343 1.708 20 5 EDBDLO CCNC(=O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450246871 305328279 /nfs/dbraw/zinc/32/82/79/305328279.db2.gz SAJVRWLGXFHMFL-UHFFFAOYSA-N 1 2 343.387 1.401 20 5 EDBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[NH+]2CCC1CC2 ZINC000451286127 305336382 /nfs/dbraw/zinc/33/63/82/305336382.db2.gz NDHNTEHCNKHRFE-UHFFFAOYSA-N 1 2 341.371 1.905 20 5 EDBDLO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452063837 305381581 /nfs/dbraw/zinc/38/15/81/305381581.db2.gz CLSFBRDKEACXPO-GXSJLCMTSA-N 1 2 327.768 1.889 20 5 EDBDLO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452063837 305381582 /nfs/dbraw/zinc/38/15/82/305381582.db2.gz CLSFBRDKEACXPO-GXSJLCMTSA-N 1 2 327.768 1.889 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000487946126 305554033 /nfs/dbraw/zinc/55/40/33/305554033.db2.gz LDBOMXKJWBDJKK-GFCCVEGCSA-N 1 2 345.359 1.614 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000539808770 306036889 /nfs/dbraw/zinc/03/68/89/306036889.db2.gz VEHJEVUYIOWQKB-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000539808770 306036890 /nfs/dbraw/zinc/03/68/90/306036890.db2.gz VEHJEVUYIOWQKB-LBPRGKRZSA-N 1 2 343.405 1.117 20 5 EDBDLO C[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544502296 306075510 /nfs/dbraw/zinc/07/55/10/306075510.db2.gz AUXBXMVGQJHZHK-NEPJUHHUSA-N 1 2 339.367 1.674 20 5 EDBDLO C[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544502296 306075511 /nfs/dbraw/zinc/07/55/11/306075511.db2.gz AUXBXMVGQJHZHK-NEPJUHHUSA-N 1 2 339.367 1.674 20 5 EDBDLO Cc1nc(NC[C@]2([NH+]3CCOCC3)CCCOC2)ccc1[N+](=O)[O-] ZINC000378145245 447404145 /nfs/dbraw/zinc/40/41/45/447404145.db2.gz BDEALBFWEBIPJD-MRXNPFEDSA-N 1 2 336.392 1.592 20 5 EDBDLO COc1ccc(NC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000415435454 447436757 /nfs/dbraw/zinc/43/67/57/447436757.db2.gz IPNFAJXVNPFCPS-SECBINFHSA-N 1 2 344.318 1.970 20 5 EDBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)on2)cc1[N+](=O)[O-] ZINC000051593604 441416852 /nfs/dbraw/zinc/41/68/52/441416852.db2.gz QRGPBTZILGXIPU-UHFFFAOYSA-N 1 2 334.332 1.970 20 5 EDBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)on2)cc1[N+](=O)[O-] ZINC000051593604 441416855 /nfs/dbraw/zinc/41/68/55/441416855.db2.gz QRGPBTZILGXIPU-UHFFFAOYSA-N 1 2 334.332 1.970 20 5 EDBDLO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000028813870 441438320 /nfs/dbraw/zinc/43/83/20/441438320.db2.gz QZOZZNKCVZHTJL-UHFFFAOYSA-N 1 2 344.371 1.930 20 5 EDBDLO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000028813870 441438322 /nfs/dbraw/zinc/43/83/22/441438322.db2.gz QZOZZNKCVZHTJL-UHFFFAOYSA-N 1 2 344.371 1.930 20 5 EDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCCCn1cc[nH+]c1 ZINC000065516009 441449704 /nfs/dbraw/zinc/44/97/04/441449704.db2.gz WOBYEKYBVONVTG-UHFFFAOYSA-N 1 2 345.359 1.118 20 5 EDBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000027354663 441400705 /nfs/dbraw/zinc/40/07/05/441400705.db2.gz RSVVBISKZQGAGX-UHFFFAOYSA-N 1 2 349.391 1.223 20 5 EDBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000027354663 441400708 /nfs/dbraw/zinc/40/07/08/441400708.db2.gz RSVVBISKZQGAGX-UHFFFAOYSA-N 1 2 349.391 1.223 20 5 EDBDLO Cc1c(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000051181154 441402143 /nfs/dbraw/zinc/40/21/43/441402143.db2.gz XJYQOMZMMIWLFG-CQSZACIVSA-N 1 2 346.431 1.688 20 5 EDBDLO Cc1c(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000051181154 441402148 /nfs/dbraw/zinc/40/21/48/441402148.db2.gz XJYQOMZMMIWLFG-CQSZACIVSA-N 1 2 346.431 1.688 20 5 EDBDLO Cc1c(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051234288 441405050 /nfs/dbraw/zinc/40/50/50/441405050.db2.gz IBSNRGQHCZXWFI-UHFFFAOYSA-N 1 2 346.431 1.643 20 5 EDBDLO Cc1c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051234288 441405054 /nfs/dbraw/zinc/40/50/54/441405054.db2.gz IBSNRGQHCZXWFI-UHFFFAOYSA-N 1 2 346.431 1.643 20 5 EDBDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000088606984 441514860 /nfs/dbraw/zinc/51/48/60/441514860.db2.gz HWJPNDXDGTWMMN-CHWSQXEVSA-N 1 2 333.388 1.589 20 5 EDBDLO C[C@@H]1CN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000088606984 441514865 /nfs/dbraw/zinc/51/48/65/441514865.db2.gz HWJPNDXDGTWMMN-CHWSQXEVSA-N 1 2 333.388 1.589 20 5 EDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054376078 441576210 /nfs/dbraw/zinc/57/62/10/441576210.db2.gz RXPGZLZAAQUUCT-HNNXBMFYSA-N 1 2 344.371 1.554 20 5 EDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054376078 441576213 /nfs/dbraw/zinc/57/62/13/441576213.db2.gz RXPGZLZAAQUUCT-HNNXBMFYSA-N 1 2 344.371 1.554 20 5 EDBDLO CCOC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000055059631 441615436 /nfs/dbraw/zinc/61/54/36/441615436.db2.gz JAAXHZCMEATVGN-UHFFFAOYSA-N 1 2 341.389 1.367 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067486839 441644938 /nfs/dbraw/zinc/64/49/38/441644938.db2.gz JUOMOOIHOMOZSA-UHFFFAOYSA-N 1 2 338.364 1.399 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056401420 441710590 /nfs/dbraw/zinc/71/05/90/441710590.db2.gz MWAXTZRXCCWBGF-CHWSQXEVSA-N 1 2 336.392 1.676 20 5 EDBDLO CN(Cc1nccn1C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041835614 441677131 /nfs/dbraw/zinc/67/71/31/441677131.db2.gz ZQTDHDVHKVHNKG-UHFFFAOYSA-N 1 2 340.343 1.786 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000159446160 441812948 /nfs/dbraw/zinc/81/29/48/441812948.db2.gz PXJJLNMPZMTLPV-CYBMUJFWSA-N 1 2 329.312 1.989 20 5 EDBDLO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[NH+](C2CC2)CC1 ZINC000122828237 441864407 /nfs/dbraw/zinc/86/44/07/441864407.db2.gz YUCPIFWPPGDJNQ-UHFFFAOYSA-N 1 2 341.371 1.701 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000123688674 441894688 /nfs/dbraw/zinc/89/46/88/441894688.db2.gz AQWLQKDILIVADH-UHFFFAOYSA-N 1 2 343.380 1.639 20 5 EDBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078503531 441938000 /nfs/dbraw/zinc/93/80/00/441938000.db2.gz SBKACEVAQNUNPH-UHFFFAOYSA-N 1 2 339.359 1.848 20 5 EDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152583033 442228457 /nfs/dbraw/zinc/22/84/57/442228457.db2.gz QCPDREVAEXHVLB-CYBMUJFWSA-N 1 2 344.375 1.280 20 5 EDBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171756898 442378408 /nfs/dbraw/zinc/37/84/08/442378408.db2.gz LZIMNKAWCOGDLH-UHFFFAOYSA-N 1 2 326.316 1.476 20 5 EDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000172019124 442400520 /nfs/dbraw/zinc/40/05/20/442400520.db2.gz ZBGVNUZMUSMHCZ-UHFFFAOYSA-N 1 2 325.390 1.372 20 5 EDBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000134012095 442445463 /nfs/dbraw/zinc/44/54/63/442445463.db2.gz FZUDPMJZXUXJOJ-MFKMUULPSA-N 1 2 330.348 1.373 20 5 EDBDLO COCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156354008 442471169 /nfs/dbraw/zinc/47/11/69/442471169.db2.gz NVHDIQADLWTHCW-UHFFFAOYSA-N 1 2 331.756 1.127 20 5 EDBDLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156354008 442471172 /nfs/dbraw/zinc/47/11/72/442471172.db2.gz NVHDIQADLWTHCW-UHFFFAOYSA-N 1 2 331.756 1.127 20 5 EDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134451106 442483988 /nfs/dbraw/zinc/48/39/88/442483988.db2.gz JOUOYVASZNRNQY-UHFFFAOYSA-N 1 2 339.367 1.917 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157537146 442591350 /nfs/dbraw/zinc/59/13/50/442591350.db2.gz FYCXTNGTIABIKM-UHFFFAOYSA-N 1 2 336.392 1.546 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157537146 442591356 /nfs/dbraw/zinc/59/13/56/442591356.db2.gz FYCXTNGTIABIKM-UHFFFAOYSA-N 1 2 336.392 1.546 20 5 EDBDLO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135515436 442605971 /nfs/dbraw/zinc/60/59/71/442605971.db2.gz GBDAOHSHPKFKFW-LLVKDONJSA-N 1 2 329.360 1.495 20 5 EDBDLO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135515436 442605975 /nfs/dbraw/zinc/60/59/75/442605975.db2.gz GBDAOHSHPKFKFW-LLVKDONJSA-N 1 2 329.360 1.495 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000135165022 442562533 /nfs/dbraw/zinc/56/25/33/442562533.db2.gz OWONJLMEXZLVPP-UONOGXRCSA-N 1 2 334.376 1.758 20 5 EDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000135165022 442562539 /nfs/dbraw/zinc/56/25/39/442562539.db2.gz OWONJLMEXZLVPP-UONOGXRCSA-N 1 2 334.376 1.758 20 5 EDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180657449 442644450 /nfs/dbraw/zinc/64/44/50/442644450.db2.gz KYMPRYMFEZYTKT-UHFFFAOYSA-N 1 2 341.371 1.971 20 5 EDBDLO COc1cccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000192528113 442658713 /nfs/dbraw/zinc/65/87/13/442658713.db2.gz ZYDKAGVDQULKOB-VXGBXAGGSA-N 1 2 337.376 1.442 20 5 EDBDLO O=C(NCC1(CCO)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187969466 442700954 /nfs/dbraw/zinc/70/09/54/442700954.db2.gz IFIPBVFTWQZPJA-UHFFFAOYSA-N 1 2 330.344 1.673 20 5 EDBDLO COc1cccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000192650164 442672484 /nfs/dbraw/zinc/67/24/84/442672484.db2.gz HUUYRRXWTLWUGV-GXTWGEPZSA-N 1 2 349.387 1.396 20 5 EDBDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000194175272 442857392 /nfs/dbraw/zinc/85/73/92/442857392.db2.gz XGORTCPNDAHVJA-HNNXBMFYSA-N 1 2 348.403 1.154 20 5 EDBDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000194175272 442857398 /nfs/dbraw/zinc/85/73/98/442857398.db2.gz XGORTCPNDAHVJA-HNNXBMFYSA-N 1 2 348.403 1.154 20 5 EDBDLO Cc1c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cnn1C ZINC000179893641 318463263 /nfs/dbraw/zinc/46/32/63/318463263.db2.gz PPZULZOGENVFQI-UHFFFAOYSA-N 1 2 340.343 1.752 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000194718951 442942196 /nfs/dbraw/zinc/94/21/96/442942196.db2.gz GERJBHSRJXTYLI-TXEJJXNPSA-N 1 2 336.392 1.358 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000194718951 442942198 /nfs/dbraw/zinc/94/21/98/442942198.db2.gz GERJBHSRJXTYLI-TXEJJXNPSA-N 1 2 336.392 1.358 20 5 EDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000194725669 442944152 /nfs/dbraw/zinc/94/41/52/442944152.db2.gz UERMFSXJROHFQD-PHIMTYICSA-N 1 2 327.406 1.838 20 5 EDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000194725669 442944154 /nfs/dbraw/zinc/94/41/54/442944154.db2.gz UERMFSXJROHFQD-PHIMTYICSA-N 1 2 327.406 1.838 20 5 EDBDLO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000249408842 442972616 /nfs/dbraw/zinc/97/26/16/442972616.db2.gz UXRTZRAWNHIQMM-CHWSQXEVSA-N 1 2 337.376 1.659 20 5 EDBDLO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000249408842 442972619 /nfs/dbraw/zinc/97/26/19/442972619.db2.gz UXRTZRAWNHIQMM-CHWSQXEVSA-N 1 2 337.376 1.659 20 5 EDBDLO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000250102819 443010435 /nfs/dbraw/zinc/01/04/35/443010435.db2.gz RPRSPZDDKXJTKM-ZWNOBZJWSA-N 1 2 337.376 1.698 20 5 EDBDLO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000250102819 443010438 /nfs/dbraw/zinc/01/04/38/443010438.db2.gz RPRSPZDDKXJTKM-ZWNOBZJWSA-N 1 2 337.376 1.698 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141349 443146808 /nfs/dbraw/zinc/14/68/08/443146808.db2.gz ZEKPNVTYZHWWOV-SAHAZLINSA-N 1 2 327.406 1.256 20 5 EDBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141349 443146810 /nfs/dbraw/zinc/14/68/10/443146810.db2.gz ZEKPNVTYZHWWOV-SAHAZLINSA-N 1 2 327.406 1.256 20 5 EDBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000414550765 319330353 /nfs/dbraw/zinc/33/03/53/319330353.db2.gz AKSVCLKBDIGTRF-CMPLNLGQSA-N 1 2 332.303 1.371 20 5 EDBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000414550765 319330355 /nfs/dbraw/zinc/33/03/55/319330355.db2.gz AKSVCLKBDIGTRF-CMPLNLGQSA-N 1 2 332.303 1.371 20 5 EDBDLO CC(C)c1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000185833145 443266302 /nfs/dbraw/zinc/26/63/02/443266302.db2.gz WCFGHOGYONURNJ-UHFFFAOYSA-N 1 2 345.407 1.527 20 5 EDBDLO Cc1cc(CN2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000269657776 443382951 /nfs/dbraw/zinc/38/29/51/443382951.db2.gz IYBOOLOGUJWKCS-QGZVFWFLSA-N 1 2 346.387 1.742 20 5 EDBDLO C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000264751913 443406135 /nfs/dbraw/zinc/40/61/35/443406135.db2.gz RIERIZADHFBWIX-IUODEOHRSA-N 1 2 335.408 1.201 20 5 EDBDLO C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000264751913 443406138 /nfs/dbraw/zinc/40/61/38/443406138.db2.gz RIERIZADHFBWIX-IUODEOHRSA-N 1 2 335.408 1.201 20 5 EDBDLO COC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272937966 443495172 /nfs/dbraw/zinc/49/51/72/443495172.db2.gz MUGSFRHYZFIPJE-UHFFFAOYSA-N 1 2 328.390 1.479 20 5 EDBDLO COC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000267830801 443591444 /nfs/dbraw/zinc/59/14/44/443591444.db2.gz QXVOSOQDKIVVHO-AWEZNQCLSA-N 1 2 344.327 1.462 20 5 EDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434947655 320007798 /nfs/dbraw/zinc/00/77/98/320007798.db2.gz RGCATTGKXKJDTG-UHFFFAOYSA-N 1 2 327.772 1.029 20 5 EDBDLO CCNC(=O)CN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448762588 320157463 /nfs/dbraw/zinc/15/74/63/320157463.db2.gz XZQZVXOPJHKCQG-UHFFFAOYSA-N 1 2 345.359 1.379 20 5 EDBDLO C[C@@H](CO)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450276533 320218267 /nfs/dbraw/zinc/21/82/67/320218267.db2.gz PFOWJLLWINDKBC-GFCCVEGCSA-N 1 2 332.360 1.919 20 5 EDBDLO CC(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])nc(NCCO)[nH+]1 ZINC000286211540 443668984 /nfs/dbraw/zinc/66/89/84/443668984.db2.gz GKGBDRUYQVIUKR-UHFFFAOYSA-N 1 2 347.379 1.616 20 5 EDBDLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2ccccc2[N+](=O)[O-])n1 ZINC000286211540 443668985 /nfs/dbraw/zinc/66/89/85/443668985.db2.gz GKGBDRUYQVIUKR-UHFFFAOYSA-N 1 2 347.379 1.616 20 5 EDBDLO CC(C)Nc1nc(NCCO)nc(NCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000286211540 443668986 /nfs/dbraw/zinc/66/89/86/443668986.db2.gz GKGBDRUYQVIUKR-UHFFFAOYSA-N 1 2 347.379 1.616 20 5 EDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000283842216 443738779 /nfs/dbraw/zinc/73/87/79/443738779.db2.gz AZNBJEGOIKDYDZ-ZBFHGGJFSA-N 1 2 349.387 1.295 20 5 EDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000283842216 443738781 /nfs/dbraw/zinc/73/87/81/443738781.db2.gz AZNBJEGOIKDYDZ-ZBFHGGJFSA-N 1 2 349.387 1.295 20 5 EDBDLO 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CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330799046 445146659 /nfs/dbraw/zinc/14/66/59/445146659.db2.gz HPSSVKKWUGPLMT-LBPRGKRZSA-N 1 2 347.824 1.762 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000348346945 445263523 /nfs/dbraw/zinc/26/35/23/445263523.db2.gz SNTXECVAHFNCGL-TZMCWYRMSA-N 1 2 335.360 1.149 20 5 EDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000348346945 445263525 /nfs/dbraw/zinc/26/35/25/445263525.db2.gz SNTXECVAHFNCGL-TZMCWYRMSA-N 1 2 335.360 1.149 20 5 EDBDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000354684908 445339851 /nfs/dbraw/zinc/33/98/51/445339851.db2.gz XUOOBEHXEGABDN-UHFFFAOYSA-N 1 2 337.723 1.237 20 5 EDBDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(C)on2)ccc1[N+](=O)[O-] ZINC000351971440 445409402 /nfs/dbraw/zinc/40/94/02/445409402.db2.gz UAIBPTOCGLXKDQ-UHFFFAOYSA-N 1 2 334.332 1.970 20 5 EDBDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(C)on2)ccc1[N+](=O)[O-] ZINC000351971440 445409408 /nfs/dbraw/zinc/40/94/08/445409408.db2.gz UAIBPTOCGLXKDQ-UHFFFAOYSA-N 1 2 334.332 1.970 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979983 445414514 /nfs/dbraw/zinc/41/45/14/445414514.db2.gz ATCCIGPAYCNLCO-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979983 445414520 /nfs/dbraw/zinc/41/45/20/445414520.db2.gz ATCCIGPAYCNLCO-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979983 445414522 /nfs/dbraw/zinc/41/45/22/445414522.db2.gz ATCCIGPAYCNLCO-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO CN1CCO[C@@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000351979983 445414525 /nfs/dbraw/zinc/41/45/25/445414525.db2.gz ATCCIGPAYCNLCO-ZIAGYGMSSA-N 1 2 345.359 1.160 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000357101326 445429456 /nfs/dbraw/zinc/42/94/56/445429456.db2.gz YQYDGCXTSBGUOK-QWRGUYRKSA-N 1 2 348.363 1.767 20 5 EDBDLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000357101326 445429461 /nfs/dbraw/zinc/42/94/61/445429461.db2.gz YQYDGCXTSBGUOK-QWRGUYRKSA-N 1 2 348.363 1.767 20 5 EDBDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000349021200 445477911 /nfs/dbraw/zinc/47/79/11/445477911.db2.gz BWOSPSGMYOODHS-ZDUSSCGKSA-N 1 2 341.433 1.759 20 5 EDBDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000349021200 445477916 /nfs/dbraw/zinc/47/79/16/445477916.db2.gz BWOSPSGMYOODHS-ZDUSSCGKSA-N 1 2 341.433 1.759 20 5 EDBDLO CCn1ncnc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360107558 445571485 /nfs/dbraw/zinc/57/14/85/445571485.db2.gz LANFHTJZAHRTGQ-UHFFFAOYSA-N 1 2 346.391 1.651 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)c(F)c1 ZINC000352605627 445542229 /nfs/dbraw/zinc/54/22/29/445542229.db2.gz PSEAEBFONWHMMQ-LLVKDONJSA-N 1 2 340.273 1.842 20 5 EDBDLO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)c(F)c1 ZINC000352605627 445542232 /nfs/dbraw/zinc/54/22/32/445542232.db2.gz PSEAEBFONWHMMQ-LLVKDONJSA-N 1 2 340.273 1.842 20 5 EDBDLO COc1c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000356115377 445629869 /nfs/dbraw/zinc/62/98/69/445629869.db2.gz STCNMWMSUNGDEJ-UHFFFAOYSA-N 1 2 345.359 1.285 20 5 EDBDLO COc1ccccc1[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1[nH+]ccn1C ZINC000363340429 445771373 /nfs/dbraw/zinc/77/13/73/445771373.db2.gz QDNHRRBJYHKPGN-BZPMIXESSA-N 1 2 330.344 1.300 20 5 EDBDLO Cc1noc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000349959169 445733928 /nfs/dbraw/zinc/73/39/28/445733928.db2.gz CRTIKOXZOJUTJJ-UHFFFAOYSA-N 1 2 331.376 1.912 20 5 EDBDLO COC(=O)[C@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361667269 445868758 /nfs/dbraw/zinc/86/87/58/445868758.db2.gz OVWCSDZMTVWTHY-MRXNPFEDSA-N 1 2 346.343 1.118 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000350873698 445937152 /nfs/dbraw/zinc/93/71/52/445937152.db2.gz ZYUDQZRQXCODNZ-NEPJUHHUSA-N 1 2 341.433 1.870 20 5 EDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000350873698 445937157 /nfs/dbraw/zinc/93/71/57/445937157.db2.gz ZYUDQZRQXCODNZ-NEPJUHHUSA-N 1 2 341.433 1.870 20 5 EDBDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000354107198 445908838 /nfs/dbraw/zinc/90/88/38/445908838.db2.gz JIFPNIVWWXQKSI-UHFFFAOYSA-N 1 2 344.327 1.296 20 5 EDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000361799114 445955075 /nfs/dbraw/zinc/95/50/75/445955075.db2.gz PEUWIJIFBVKHFV-NSHDSACASA-N 1 2 342.359 1.565 20 5 EDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356725097 445968073 /nfs/dbraw/zinc/96/80/73/445968073.db2.gz DNSQSHANMABIDM-NSHDSACASA-N 1 2 332.364 1.157 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354372180 446154943 /nfs/dbraw/zinc/15/49/43/446154943.db2.gz MBIVZQHSEPKCRC-UHFFFAOYSA-N 1 2 349.778 1.929 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000366606215 446279252 /nfs/dbraw/zinc/27/92/52/446279252.db2.gz GDEFFLJUXAIAPL-CYBMUJFWSA-N 1 2 343.405 1.117 20 5 EDBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000366606215 446279254 /nfs/dbraw/zinc/27/92/54/446279254.db2.gz GDEFFLJUXAIAPL-CYBMUJFWSA-N 1 2 343.405 1.117 20 5 EDBDLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000373678334 446299734 /nfs/dbraw/zinc/29/97/34/446299734.db2.gz AOBMWVSMCDSOKK-JSGCOSHPSA-N 1 2 348.382 2.056 20 5 EDBDLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000373678334 446299738 /nfs/dbraw/zinc/29/97/38/446299738.db2.gz AOBMWVSMCDSOKK-JSGCOSHPSA-N 1 2 348.382 2.056 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)nc[nH+]1 ZINC000362278261 446300990 /nfs/dbraw/zinc/30/09/90/446300990.db2.gz IKFONXGRKFNKJH-SNVBAGLBSA-N 1 2 345.363 1.153 20 5 EDBDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]cn1 ZINC000362278261 446300992 /nfs/dbraw/zinc/30/09/92/446300992.db2.gz IKFONXGRKFNKJH-SNVBAGLBSA-N 1 2 345.363 1.153 20 5 EDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000370555914 446331130 /nfs/dbraw/zinc/33/11/30/446331130.db2.gz IYQRAXVGQHVYMN-KRWDZBQOSA-N 1 2 349.387 1.206 20 5 EDBDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376138562 446350463 /nfs/dbraw/zinc/35/04/63/446350463.db2.gz CNFGVYOTDQURTO-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376138562 446350466 /nfs/dbraw/zinc/35/04/66/446350466.db2.gz CNFGVYOTDQURTO-GFCCVEGCSA-N 1 2 349.387 1.626 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000420433993 446608781 /nfs/dbraw/zinc/60/87/81/446608781.db2.gz DMGRJJHSUSVKLL-CYBMUJFWSA-N 1 2 331.369 1.225 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCN4CCOC[C@H]4C3)o2)cc1 ZINC000375237431 446662020 /nfs/dbraw/zinc/66/20/20/446662020.db2.gz NWZAFQCHQZENIQ-CQSZACIVSA-N 1 2 345.359 1.161 20 5 EDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCN4CCOC[C@H]4C3)o2)cc1 ZINC000375237431 446662025 /nfs/dbraw/zinc/66/20/25/446662025.db2.gz NWZAFQCHQZENIQ-CQSZACIVSA-N 1 2 345.359 1.161 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000371163586 446666855 /nfs/dbraw/zinc/66/68/55/446666855.db2.gz GOXIKYMJAFILQN-WFASDCNBSA-N 1 2 338.314 1.877 20 5 EDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000371163586 446666862 /nfs/dbraw/zinc/66/68/62/446666862.db2.gz GOXIKYMJAFILQN-WFASDCNBSA-N 1 2 338.314 1.877 20 5 EDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420451697 446626679 /nfs/dbraw/zinc/62/66/79/446626679.db2.gz ZKCNNSNSLFBBQC-ZDUSSCGKSA-N 1 2 331.369 1.225 20 5 EDBDLO Cc1nc(N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000420610971 446702218 /nfs/dbraw/zinc/70/22/18/446702218.db2.gz LTSQAGTWXNDVOH-UHFFFAOYSA-N 1 2 342.359 1.119 20 5 EDBDLO C[C@H]1C[C@H](CO)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420642103 446716172 /nfs/dbraw/zinc/71/61/72/446716172.db2.gz ZXDPDTYOQJOBCX-HOCLYGCPSA-N 1 2 349.431 1.882 20 5 EDBDLO O=C(C[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1)N1CCCC1 ZINC000368521572 446918527 /nfs/dbraw/zinc/91/85/27/446918527.db2.gz GSCHNXAEGLUZCW-UHFFFAOYSA-N 1 2 339.421 1.550 20 5 EDBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000419344517 447109812 /nfs/dbraw/zinc/10/98/12/447109812.db2.gz ILWLPAUBBPKCCZ-CQSZACIVSA-N 1 2 335.360 1.157 20 5 EDBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000419344517 447109819 /nfs/dbraw/zinc/10/98/19/447109819.db2.gz ILWLPAUBBPKCCZ-CQSZACIVSA-N 1 2 335.360 1.157 20 5 EDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413293270 447120007 /nfs/dbraw/zinc/12/00/07/447120007.db2.gz BJKSBGFHEJSMED-SNVBAGLBSA-N 1 2 326.328 1.426 20 5 EDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413293270 447120014 /nfs/dbraw/zinc/12/00/14/447120014.db2.gz BJKSBGFHEJSMED-SNVBAGLBSA-N 1 2 326.328 1.426 20 5 EDBDLO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000377477754 447151833 /nfs/dbraw/zinc/15/18/33/447151833.db2.gz OGBJXIVXDXNDOH-ZFWWWQNUSA-N 1 2 346.387 1.068 20 5 EDBDLO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000377477754 447151837 /nfs/dbraw/zinc/15/18/37/447151837.db2.gz OGBJXIVXDXNDOH-ZFWWWQNUSA-N 1 2 346.387 1.068 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000375944651 447165898 /nfs/dbraw/zinc/16/58/98/447165898.db2.gz AQYJLKVCSZSCDO-NSHDSACASA-N 1 2 329.360 1.930 20 5 EDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425474497 447181096 /nfs/dbraw/zinc/18/10/96/447181096.db2.gz LBOMDLYEJMBPEZ-RYUDHWBXSA-N 1 2 345.193 1.939 20 5 EDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425474497 447181098 /nfs/dbraw/zinc/18/10/98/447181098.db2.gz LBOMDLYEJMBPEZ-RYUDHWBXSA-N 1 2 345.193 1.939 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372615943 447185065 /nfs/dbraw/zinc/18/50/65/447185065.db2.gz BJCIDVPLGWXPJT-ZBEGNZNMSA-N 1 2 348.359 1.496 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372615943 447185073 /nfs/dbraw/zinc/18/50/73/447185073.db2.gz BJCIDVPLGWXPJT-ZBEGNZNMSA-N 1 2 348.359 1.496 20 5 EDBDLO CCC(=O)N1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000425508880 447204131 /nfs/dbraw/zinc/20/41/31/447204131.db2.gz IUZGFFPJMDVRGY-UHFFFAOYSA-N 1 2 334.376 1.744 20 5 EDBDLO CCC(=O)N1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000425508880 447204138 /nfs/dbraw/zinc/20/41/38/447204138.db2.gz IUZGFFPJMDVRGY-UHFFFAOYSA-N 1 2 334.376 1.744 20 5 EDBDLO C[N@@H+]1CCc2ncnc(N3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)c2C1 ZINC000369003013 447257264 /nfs/dbraw/zinc/25/72/64/447257264.db2.gz 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349.416 1.784 20 5 EDBDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000602943786 449944787 /nfs/dbraw/zinc/94/47/87/449944787.db2.gz QKKLQABYBTYSOP-CYBMUJFWSA-N 1 2 349.416 1.784 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595383425 450097795 /nfs/dbraw/zinc/09/77/95/450097795.db2.gz NIVYKVVCTNXVGM-VIFPVBQESA-N 1 2 340.361 1.376 20 5 EDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595450832 450150863 /nfs/dbraw/zinc/15/08/63/450150863.db2.gz DNVWPPPZIMKARP-OAHLLOKOSA-N 1 2 334.376 1.211 20 5 EDBDLO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597709342 450212315 /nfs/dbraw/zinc/21/23/15/450212315.db2.gz HRXKCENSZHZRPX-AWEZNQCLSA-N 1 2 349.387 1.540 20 5 EDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595495454 450183980 /nfs/dbraw/zinc/18/39/80/450183980.db2.gz QVGZRJZWFDPIFU-UHFFFAOYSA-N 1 2 331.332 1.254 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000613914028 450356992 /nfs/dbraw/zinc/35/69/92/450356992.db2.gz MCHPABCSRKCGCP-CQSZACIVSA-N 1 2 349.387 1.627 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000613914028 450356997 /nfs/dbraw/zinc/35/69/97/450356997.db2.gz MCHPABCSRKCGCP-CQSZACIVSA-N 1 2 349.387 1.627 20 5 EDBDLO Cn1ncc2c1nc[nH+]c2SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000011685645 491002195 /nfs/dbraw/zinc/00/21/95/491002195.db2.gz ARIUQSSCPFRWQH-UHFFFAOYSA-N 1 2 344.356 1.663 20 5 EDBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174860103 534475476 /nfs/dbraw/zinc/47/54/76/534475476.db2.gz MGULHYZRKLWNNB-NSHDSACASA-N 1 2 336.377 1.351 20 5 EDBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174860103 534475483 /nfs/dbraw/zinc/47/54/83/534475483.db2.gz MGULHYZRKLWNNB-NSHDSACASA-N 1 2 336.377 1.351 20 5 EDBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000131256597 529043306 /nfs/dbraw/zinc/04/33/06/529043306.db2.gz OJZLRQUJGXLVMO-UHFFFAOYSA-N 1 2 347.824 1.963 20 5 EDBDLO CC(C)c1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000353082990 535370514 /nfs/dbraw/zinc/37/05/14/535370514.db2.gz YOKMYVJQYTUXQR-HOTGVXAUSA-N 1 2 333.388 1.873 20 5 EDBDLO CC(C)c1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000353082990 535370515 /nfs/dbraw/zinc/37/05/15/535370515.db2.gz YOKMYVJQYTUXQR-HOTGVXAUSA-N 1 2 333.388 1.873 20 5 EDBDLO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353237719 536476608 /nfs/dbraw/zinc/47/66/08/536476608.db2.gz UHSSKUQQYZCYIB-SNVBAGLBSA-N 1 2 349.347 1.126 20 5 EDBDLO CS(=O)(=O)CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759678789 580011972 /nfs/dbraw/zinc/01/19/72/580011972.db2.gz LJEDNZPUPZIGJU-UHFFFAOYSA-N 1 2 341.433 1.542 20 5 EDBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000747833373 579660135 /nfs/dbraw/zinc/66/01/35/579660135.db2.gz VAOZOBOHPBXHAP-CQSZACIVSA-N 1 2 347.375 1.184 20 5 EDBDLO C/C(=C\C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752013828 579833546 /nfs/dbraw/zinc/83/35/46/579833546.db2.gz QWZRDNILHCXKRO-YPDDLIOESA-N 1 2 333.388 1.835 20 5 EDBDLO C/C(=C\C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752013828 579833547 /nfs/dbraw/zinc/83/35/47/579833547.db2.gz QWZRDNILHCXKRO-YPDDLIOESA-N 1 2 333.388 1.835 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768711764 580218866 /nfs/dbraw/zinc/21/88/66/580218866.db2.gz FYAMUEODYJKOFE-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768711764 580218867 /nfs/dbraw/zinc/21/88/67/580218867.db2.gz FYAMUEODYJKOFE-SNVBAGLBSA-N 1 2 327.768 1.699 20 5 EDBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768866467 580223052 /nfs/dbraw/zinc/22/30/52/580223052.db2.gz SQOWPFPGXHZNEE-VIFPVBQESA-N 1 2 342.402 1.568 20 5 EDBDLO C[S@](=O)CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000771916736 580298401 /nfs/dbraw/zinc/29/84/01/580298401.db2.gz FDOOKRLNGLOOAU-NRFANRHFSA-N 1 2 332.813 1.144 20 5 EDBDLO C[C@H](C(=O)OCCOc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000774982073 580379754 /nfs/dbraw/zinc/37/97/54/580379754.db2.gz NWJUREBHHIKWDY-GFCCVEGCSA-N 1 2 340.401 1.954 20 5 EDBDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586303 580422481 /nfs/dbraw/zinc/42/24/81/580422481.db2.gz MTJFOSOMKAKLGC-CQSZACIVSA-N 1 2 344.433 1.773 20 5 EDBDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586303 580422482 /nfs/dbraw/zinc/42/24/82/580422482.db2.gz MTJFOSOMKAKLGC-CQSZACIVSA-N 1 2 344.433 1.773 20 5 EDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779215312 580481299 /nfs/dbraw/zinc/48/12/99/580481299.db2.gz XEDLYHBMXBEVFV-JTQLQIEISA-N 1 2 331.288 1.444 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000783750384 580605219 /nfs/dbraw/zinc/60/52/19/580605219.db2.gz XVBCHWUBMIIABI-LLVKDONJSA-N 1 2 326.374 1.946 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000783750384 580605220 /nfs/dbraw/zinc/60/52/20/580605220.db2.gz XVBCHWUBMIIABI-LLVKDONJSA-N 1 2 326.374 1.946 20 5 EDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000786823364 580680258 /nfs/dbraw/zinc/68/02/58/580680258.db2.gz LBYHMJMMGDBBKV-UHFFFAOYSA-N 1 2 326.356 1.923 20 5 EDBDLO O=[N+]([O-])c1c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)nc2ccccn21 ZINC000788319800 580717216 /nfs/dbraw/zinc/71/72/16/580717216.db2.gz ZGWAQKPPPIZEHH-CYBMUJFWSA-N 1 2 342.359 1.916 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000789541133 580748950 /nfs/dbraw/zinc/74/89/50/580748950.db2.gz LXNUOLRFGSSRLE-KRWDZBQOSA-N 1 2 345.355 1.651 20 5 EDBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789541133 580748951 /nfs/dbraw/zinc/74/89/51/580748951.db2.gz LXNUOLRFGSSRLE-KRWDZBQOSA-N 1 2 345.355 1.651 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21 ZINC000793655789 580850273 /nfs/dbraw/zinc/85/02/73/580850273.db2.gz QXSXOZYBDHAZJU-IMRBUKKESA-N 1 2 343.343 1.162 20 5 EDBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21 ZINC000793655789 580850274 /nfs/dbraw/zinc/85/02/74/580850274.db2.gz QXSXOZYBDHAZJU-IMRBUKKESA-N 1 2 343.343 1.162 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)OCc2c[nH+]cn2CC(F)(F)F)n1 ZINC000797112653 580968423 /nfs/dbraw/zinc/96/84/23/580968423.db2.gz ALBHZNNZGBFHPS-UHFFFAOYSA-N 1 2 347.253 1.927 20 5 EDBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000799355236 581026461 /nfs/dbraw/zinc/02/64/61/581026461.db2.gz RPDNWNRDYIHPOF-NSHDSACASA-N 1 2 340.767 1.397 20 5 EDBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000799355236 581026462 /nfs/dbraw/zinc/02/64/62/581026462.db2.gz RPDNWNRDYIHPOF-NSHDSACASA-N 1 2 340.767 1.397 20 5 EDBDLO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800213947 581047893 /nfs/dbraw/zinc/04/78/93/581047893.db2.gz CNCCLYBSKRTCIS-JTQLQIEISA-N 1 2 339.348 1.063 20 5 EDBDLO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800213947 581047894 /nfs/dbraw/zinc/04/78/94/581047894.db2.gz CNCCLYBSKRTCIS-JTQLQIEISA-N 1 2 339.348 1.063 20 5 EDBDLO CCN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1c1[nH+]ccn1C ZINC000800871018 581060459 /nfs/dbraw/zinc/06/04/59/581060459.db2.gz CUHGJDPWYCBRLP-OAHLLOKOSA-N 1 2 330.392 1.794 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1OCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)OCCO2 ZINC000902902287 592082687 /nfs/dbraw/zinc/08/26/87/592082687.db2.gz PEJGCEGAAXQVRI-TXEJJXNPSA-N 1 2 336.344 1.608 20 5 EDBDLO O=[N+]([O-])c1cc2c(cc1OCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)OCCO2 ZINC000902902287 592082690 /nfs/dbraw/zinc/08/26/90/592082690.db2.gz PEJGCEGAAXQVRI-TXEJJXNPSA-N 1 2 336.344 1.608 20 5 EDBDLO C/C(=C/C(=O)NCc1cccc([N+](=O)[O-])c1C)C[NH+]1CCOCC1 ZINC000907694037 592759780 /nfs/dbraw/zinc/75/97/80/592759780.db2.gz ANMBLTWHGHKGLE-RAXLEYEMSA-N 1 2 333.388 1.798 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000910780860 592893945 /nfs/dbraw/zinc/89/39/45/592893945.db2.gz ZRWPBXFLJSQZGX-UHFFFAOYSA-N 1 2 341.371 1.429 20 5 EDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)n1 ZINC000910780860 592893946 /nfs/dbraw/zinc/89/39/46/592893946.db2.gz ZRWPBXFLJSQZGX-UHFFFAOYSA-N 1 2 341.371 1.429 20 5 EDBDLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000838111848 593126198 /nfs/dbraw/zinc/12/61/98/593126198.db2.gz FUBREAYDDJNQSG-OLZOCXBDSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000838111848 593126200 /nfs/dbraw/zinc/12/62/00/593126200.db2.gz FUBREAYDDJNQSG-OLZOCXBDSA-N 1 2 336.392 1.676 20 5 EDBDLO C[C@H]1CN(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)[C@@H]1C ZINC000839947323 593218685 /nfs/dbraw/zinc/21/86/85/593218685.db2.gz DLLVLFBSDONFAE-UONOGXRCSA-N 1 2 332.404 1.789 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])ccc1Cl ZINC000839782187 593382701 /nfs/dbraw/zinc/38/27/01/593382701.db2.gz GIXJKKTZLWWGHR-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])ccc1Cl ZINC000839782187 593382704 /nfs/dbraw/zinc/38/27/04/593382704.db2.gz GIXJKKTZLWWGHR-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(=O)O1 ZINC000839780981 593382833 /nfs/dbraw/zinc/38/28/33/593382833.db2.gz YDAMEXBLSLIZNE-ONGXEEELSA-N 1 2 330.300 1.214 20 5 EDBDLO CCn1nc(C)c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000818220996 593685028 /nfs/dbraw/zinc/68/50/28/593685028.db2.gz LTMIZDVFEGFBNF-UHFFFAOYSA-N 1 2 333.348 1.576 20 5 EDBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000819018072 593734232 /nfs/dbraw/zinc/73/42/32/593734232.db2.gz PEGWPHJTDBGWLL-GFCCVEGCSA-N 1 2 341.165 1.904 20 5 EDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822710366 594089702 /nfs/dbraw/zinc/08/97/02/594089702.db2.gz NGLZGGJYXGDZJJ-JKSUJKDBSA-N 1 2 347.415 1.925 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(O)(CO)CC1 ZINC000827146617 594647800 /nfs/dbraw/zinc/64/78/00/594647800.db2.gz HMMQLRVQNQOBIH-UHFFFAOYSA-N 1 2 345.193 1.677 20 5 EDBDLO COC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000835264861 594805970 /nfs/dbraw/zinc/80/59/70/594805970.db2.gz MAXZIFMVFGDEBW-CQSZACIVSA-N 1 2 345.311 1.889 20 5 EDBDLO CN1CC[NH+](C[C@H](O)COc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000840764505 594815557 /nfs/dbraw/zinc/81/55/57/594815557.db2.gz TXMKKINTTLNHIF-JTQLQIEISA-N 1 2 347.774 1.374 20 5 EDBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000836864595 595006332 /nfs/dbraw/zinc/00/63/32/595006332.db2.gz PMZDRZCRWPWLLY-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000836864595 595006335 /nfs/dbraw/zinc/00/63/35/595006335.db2.gz PMZDRZCRWPWLLY-TXEJJXNPSA-N 1 2 339.779 1.841 20 5 EDBDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842315763 595075209 /nfs/dbraw/zinc/07/52/09/595075209.db2.gz YBIRQHUHELBDQN-IJLUTSLNSA-N 1 2 328.365 1.001 20 5 EDBDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842315763 595075212 /nfs/dbraw/zinc/07/52/12/595075212.db2.gz YBIRQHUHELBDQN-IJLUTSLNSA-N 1 2 328.365 1.001 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000843838050 595197896 /nfs/dbraw/zinc/19/78/96/595197896.db2.gz WTTWITUGIHJTJT-GXFFZTMASA-N 1 2 325.340 1.491 20 5 EDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000843838050 595197899 /nfs/dbraw/zinc/19/78/99/595197899.db2.gz WTTWITUGIHJTJT-GXFFZTMASA-N 1 2 325.340 1.491 20 5 EDBDLO CO[C@@H]1C[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1OC ZINC000848484919 595391995 /nfs/dbraw/zinc/39/19/95/595391995.db2.gz GSTVLWRUTJBSDP-HRCADAONSA-N 1 2 349.387 1.214 20 5 EDBDLO CO[C@@H]1C[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H]1OC ZINC000848484919 595391996 /nfs/dbraw/zinc/39/19/96/595391996.db2.gz GSTVLWRUTJBSDP-HRCADAONSA-N 1 2 349.387 1.214 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1F ZINC000855025481 595570195 /nfs/dbraw/zinc/57/01/95/595570195.db2.gz AEHUMNCBAFQWFF-SNVBAGLBSA-N 1 2 341.314 1.072 20 5 EDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1F ZINC000855025481 595570197 /nfs/dbraw/zinc/57/01/97/595570197.db2.gz AEHUMNCBAFQWFF-SNVBAGLBSA-N 1 2 341.314 1.072 20 5 EDBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000857982707 595676115 /nfs/dbraw/zinc/67/61/15/595676115.db2.gz QSTIHAJCSGVYBR-ABAIWWIYSA-N 1 2 341.327 1.546 20 5 EDBDLO C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCNC1=O ZINC000853180571 595694832 /nfs/dbraw/zinc/69/48/32/595694832.db2.gz FEYNFQPKFDMZQQ-INIZCTEOSA-N 1 2 344.327 1.464 20 5 EDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855410163 595699723 /nfs/dbraw/zinc/69/97/23/595699723.db2.gz HZMBNAOZIRBBCD-QWRGUYRKSA-N 1 2 325.340 1.573 20 5 EDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855410163 595699724 /nfs/dbraw/zinc/69/97/24/595699724.db2.gz HZMBNAOZIRBBCD-QWRGUYRKSA-N 1 2 325.340 1.573 20 5 EDBDLO COc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)c([N+](=O)[O-])cc1C ZINC000853290039 595729426 /nfs/dbraw/zinc/72/94/26/595729426.db2.gz SSRMOHIFOMAREP-UHFFFAOYSA-N 1 2 345.403 1.968 20 5 EDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853540459 595791598 /nfs/dbraw/zinc/79/15/98/595791598.db2.gz HSYUOTVGLPJRMX-CYBMUJFWSA-N 1 2 331.332 1.429 20 5 EDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853540459 595791601 /nfs/dbraw/zinc/79/16/01/595791601.db2.gz HSYUOTVGLPJRMX-CYBMUJFWSA-N 1 2 331.332 1.429 20 5 EDBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000853651967 595846749 /nfs/dbraw/zinc/84/67/49/595846749.db2.gz WSLNQSRJYFNJCC-CYBMUJFWSA-N 1 2 336.348 1.804 20 5 EDBDLO Cc1cc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1F ZINC000851856243 595949418 /nfs/dbraw/zinc/94/94/18/595949418.db2.gz LWIHVUHCNMQODR-VIFPVBQESA-N 1 2 342.352 1.815 20 5 EDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000852430734 596155541 /nfs/dbraw/zinc/15/55/41/596155541.db2.gz LQXYAGDLQFVOPX-CYBMUJFWSA-N 1 2 349.343 1.488 20 5 EDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000852430734 596155545 /nfs/dbraw/zinc/15/55/45/596155545.db2.gz LQXYAGDLQFVOPX-CYBMUJFWSA-N 1 2 349.343 1.488 20 5 EDBDLO O=C(/C=C/C[NH+]1CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000866775417 596337335 /nfs/dbraw/zinc/33/73/35/596337335.db2.gz CPZINGNLAMXSLR-GORDUTHDSA-N 1 2 345.399 1.974 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000867710351 596508211 /nfs/dbraw/zinc/50/82/11/596508211.db2.gz BFUHGRVXWDRJFC-ZDUSSCGKSA-N 1 2 345.396 1.448 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867710351 596508215 /nfs/dbraw/zinc/50/82/15/596508215.db2.gz BFUHGRVXWDRJFC-ZDUSSCGKSA-N 1 2 345.396 1.448 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000863297829 596542566 /nfs/dbraw/zinc/54/25/66/596542566.db2.gz KFFQNWKXPKACBG-INIZCTEOSA-N 1 2 348.359 1.474 20 5 EDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000863297829 596542567 /nfs/dbraw/zinc/54/25/67/596542567.db2.gz KFFQNWKXPKACBG-INIZCTEOSA-N 1 2 348.359 1.474 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867933544 596624316 /nfs/dbraw/zinc/62/43/16/596624316.db2.gz PZQVVACEFZQSED-GFCCVEGCSA-N 1 2 339.367 1.456 20 5 EDBDLO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927329 596724442 /nfs/dbraw/zinc/72/44/42/596724442.db2.gz AFAGCKDMFOANEQ-NSHDSACASA-N 1 2 340.355 1.931 20 5 EDBDLO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927329 596724447 /nfs/dbraw/zinc/72/44/47/596724447.db2.gz AFAGCKDMFOANEQ-NSHDSACASA-N 1 2 340.355 1.931 20 5 EDBDLO O=c1c2c([nH]n1-c1cc([N+](=O)[O-])ccc1Br)CC[NH2+]C2 ZINC000871959596 596759967 /nfs/dbraw/zinc/75/99/67/596759967.db2.gz OIFJBRMBQKRLSK-MRVPVSSYSA-N 1 2 339.149 1.669 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000874896822 597212697 /nfs/dbraw/zinc/21/26/97/597212697.db2.gz RFQMEHXQBAFOHB-ZDUSSCGKSA-N 1 2 347.350 1.563 20 5 EDBDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000918189098 697139745 /nfs/dbraw/zinc/13/97/45/697139745.db2.gz OLQCYDQOENHTHY-UHFFFAOYSA-N 1 2 342.355 1.425 20 5 EDBDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000918189098 697139746 /nfs/dbraw/zinc/13/97/46/697139746.db2.gz OLQCYDQOENHTHY-UHFFFAOYSA-N 1 2 342.355 1.425 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cncs1 ZINC001031567642 697260634 /nfs/dbraw/zinc/26/06/34/697260634.db2.gz XMZGKCKIFLXXTN-UHFFFAOYSA-N 1 2 332.385 1.913 20 5 EDBDLO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cccnn1 ZINC001032066359 697816979 /nfs/dbraw/zinc/81/69/79/697816979.db2.gz PIMLWQBXMLNACV-UHFFFAOYSA-N 1 2 327.344 1.247 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C(C)(C)C2CC2)CC1 ZINC001003466320 710363637 /nfs/dbraw/zinc/36/36/37/710363637.db2.gz UTFQCRUNMHBFNX-UHFFFAOYSA-N 1 2 349.435 1.845 20 5 EDBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000159600356 529837923 /nfs/dbraw/zinc/83/79/23/529837923.db2.gz KYWDNAXVPZYNGN-UHFFFAOYSA-N 1 2 345.783 1.109 20 5 EDBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000159600356 529837925 /nfs/dbraw/zinc/83/79/25/529837925.db2.gz KYWDNAXVPZYNGN-UHFFFAOYSA-N 1 2 345.783 1.109 20 5 EDBDLO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000412694379 304027478 /nfs/dbraw/zinc/02/74/78/304027478.db2.gz HGANKLVVXRMUHC-CYBMUJFWSA-N 1 2 343.387 1.675 20 5 EDBDLO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000412694379 304027479 /nfs/dbraw/zinc/02/74/79/304027479.db2.gz HGANKLVVXRMUHC-CYBMUJFWSA-N 1 2 343.387 1.675 20 5 EDBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000093093231 138291715 /nfs/dbraw/zinc/29/17/15/138291715.db2.gz LJGSQMWBTWFVQE-AWEZNQCLSA-N 1 2 332.404 1.250 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186943175 236072255 /nfs/dbraw/zinc/07/22/55/236072255.db2.gz GCWKSIUMLPNPEK-VHSXEESVSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1sc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186943175 236072258 /nfs/dbraw/zinc/07/22/58/236072258.db2.gz GCWKSIUMLPNPEK-VHSXEESVSA-N 1 2 327.406 1.492 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080919307 217342204 /nfs/dbraw/zinc/34/22/04/217342204.db2.gz FZRBNGMQEBKRTI-OAHLLOKOSA-N 1 2 333.388 1.840 20 5 EDBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000152927260 224032863 /nfs/dbraw/zinc/03/28/63/224032863.db2.gz MFIMSJQCTSRMHR-LBPRGKRZSA-N 1 2 339.396 1.733 20 5 EDBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000152927260 224032864 /nfs/dbraw/zinc/03/28/64/224032864.db2.gz MFIMSJQCTSRMHR-LBPRGKRZSA-N 1 2 339.396 1.733 20 5 EDBDLO CC[C@]1(O)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495185967 255271699 /nfs/dbraw/zinc/27/16/99/255271699.db2.gz AQRBJFZBEINZRN-AWEZNQCLSA-N 1 2 328.390 1.215 20 5 EDBDLO CC[C@]1(O)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495185967 255271700 /nfs/dbraw/zinc/27/17/00/255271700.db2.gz AQRBJFZBEINZRN-AWEZNQCLSA-N 1 2 328.390 1.215 20 5 EDBDLO Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000154551652 224269783 /nfs/dbraw/zinc/26/97/83/224269783.db2.gz DKGNCRVSLXYDNJ-GFCCVEGCSA-N 1 2 341.371 1.889 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264278220 139392848 /nfs/dbraw/zinc/39/28/48/139392848.db2.gz FLSMUAZZPMLKBJ-AWEZNQCLSA-N 1 2 345.355 1.679 20 5 EDBDLO C[C@H]([C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCOCC1 ZINC000264292321 139394293 /nfs/dbraw/zinc/39/42/93/139394293.db2.gz QLTHXSFXYDJLAM-NWDGAFQWSA-N 1 2 346.387 1.915 20 5 EDBDLO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000355315065 285379334 /nfs/dbraw/zinc/37/93/34/285379334.db2.gz IFEUETKSEBJDGA-ZFWWWQNUSA-N 1 2 335.360 1.236 20 5 EDBDLO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000355315065 285379336 /nfs/dbraw/zinc/37/93/36/285379336.db2.gz IFEUETKSEBJDGA-ZFWWWQNUSA-N 1 2 335.360 1.236 20 5 EDBDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C2 ZINC000331901611 141095697 /nfs/dbraw/zinc/09/56/97/141095697.db2.gz ZENNYIBCQPNCIB-UHFFFAOYSA-N 1 2 331.376 1.989 20 5 EDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340094967 142264069 /nfs/dbraw/zinc/26/40/69/142264069.db2.gz NVYTVQXMIPVNLL-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340094967 142264071 /nfs/dbraw/zinc/26/40/71/142264071.db2.gz NVYTVQXMIPVNLL-CYBMUJFWSA-N 1 2 336.392 1.157 20 5 EDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340124317 142273227 /nfs/dbraw/zinc/27/32/27/142273227.db2.gz KYBSLLUIJMSYHP-LBPRGKRZSA-N 1 2 346.387 1.456 20 5 EDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000340124317 142273228 /nfs/dbraw/zinc/27/32/28/142273228.db2.gz KYBSLLUIJMSYHP-LBPRGKRZSA-N 1 2 346.387 1.456 20 5 EDBDLO NC(=O)[C@H]1C[C@@H](F)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346078188 143165157 /nfs/dbraw/zinc/16/51/57/143165157.db2.gz UHWQBQDKOLVEHZ-DGCLKSJQSA-N 1 2 348.334 1.690 20 5 EDBDLO NC(=O)[C@H]1C[C@@H](F)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346078188 143165158 /nfs/dbraw/zinc/16/51/58/143165158.db2.gz UHWQBQDKOLVEHZ-DGCLKSJQSA-N 1 2 348.334 1.690 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)n1 ZINC000346895234 143257293 /nfs/dbraw/zinc/25/72/93/143257293.db2.gz JVQWUOFVCPCKLC-ZYHUDNBSSA-N 1 2 348.363 1.787 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)n1 ZINC000346895234 143257294 /nfs/dbraw/zinc/25/72/94/143257294.db2.gz JVQWUOFVCPCKLC-ZYHUDNBSSA-N 1 2 348.363 1.787 20 5 EDBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355606651 150334151 /nfs/dbraw/zinc/33/41/51/150334151.db2.gz LYMDDMDWXRTDPL-ZDUSSCGKSA-N 1 2 338.360 1.757 20 5 EDBDLO CC[C@H]1COCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355606651 150334154 /nfs/dbraw/zinc/33/41/54/150334154.db2.gz LYMDDMDWXRTDPL-ZDUSSCGKSA-N 1 2 338.360 1.757 20 5 EDBDLO COCCC(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000355686180 150360407 /nfs/dbraw/zinc/36/04/07/150360407.db2.gz YFTKOEMONZPVBG-UHFFFAOYSA-N 1 2 337.376 1.154 20 5 EDBDLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000357840229 151168738 /nfs/dbraw/zinc/16/87/38/151168738.db2.gz RKBOGCYZEBBFRW-KRWDZBQOSA-N 1 2 345.403 1.747 20 5 EDBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000357840229 151168740 /nfs/dbraw/zinc/16/87/40/151168740.db2.gz RKBOGCYZEBBFRW-KRWDZBQOSA-N 1 2 345.403 1.747 20 5 EDBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000359636996 151774433 /nfs/dbraw/zinc/77/44/33/151774433.db2.gz JQOGSQJCDOKYJQ-JSGCOSHPSA-N 1 2 334.355 1.748 20 5 EDBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000359636996 151774434 /nfs/dbraw/zinc/77/44/34/151774434.db2.gz JQOGSQJCDOKYJQ-JSGCOSHPSA-N 1 2 334.355 1.748 20 5 EDBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363887305 153086542 /nfs/dbraw/zinc/08/65/42/153086542.db2.gz UAORFCIEGPWRFE-OAHLLOKOSA-N 1 2 329.360 1.273 20 5 EDBDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363887305 153086544 /nfs/dbraw/zinc/08/65/44/153086544.db2.gz UAORFCIEGPWRFE-OAHLLOKOSA-N 1 2 329.360 1.273 20 5 EDBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000364398145 153227011 /nfs/dbraw/zinc/22/70/11/153227011.db2.gz FQHULLZTXYTNTG-SWLSCSKDSA-N 1 2 334.376 1.173 20 5 EDBDLO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000364725022 153315132 /nfs/dbraw/zinc/31/51/32/153315132.db2.gz CKRGMKCUZCFXJP-SECBINFHSA-N 1 2 326.316 1.412 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367731919 154248262 /nfs/dbraw/zinc/24/82/62/154248262.db2.gz YJENFPXAUXWERQ-OCCSQVGLSA-N 1 2 349.387 1.539 20 5 EDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CCC2 ZINC000368419160 154551712 /nfs/dbraw/zinc/55/17/12/154551712.db2.gz ILQQXGDGPNUZOS-SNVBAGLBSA-N 1 2 330.348 1.384 20 5 EDBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372156668 156247187 /nfs/dbraw/zinc/24/71/87/156247187.db2.gz LDUSJGAWVIPMIO-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372156668 156247190 /nfs/dbraw/zinc/24/71/90/156247190.db2.gz LDUSJGAWVIPMIO-NSHDSACASA-N 1 2 333.797 1.372 20 5 EDBDLO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374051914 157123236 /nfs/dbraw/zinc/12/32/36/157123236.db2.gz ADRQIQXBJWJSBB-CYBMUJFWSA-N 1 2 333.396 1.591 20 5 EDBDLO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374051914 157123239 /nfs/dbraw/zinc/12/32/39/157123239.db2.gz ADRQIQXBJWJSBB-CYBMUJFWSA-N 1 2 333.396 1.591 20 5 EDBDLO COc1cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418191 162171405 /nfs/dbraw/zinc/17/14/05/162171405.db2.gz ZYZHLVBZJGJWGU-GHMZBOCLSA-N 1 2 330.406 1.857 20 5 EDBDLO COc1cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000352418191 162171408 /nfs/dbraw/zinc/17/14/08/162171408.db2.gz ZYZHLVBZJGJWGU-GHMZBOCLSA-N 1 2 330.406 1.857 20 5 EDBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1ccccc1 ZINC000090512054 287330704 /nfs/dbraw/zinc/33/07/04/287330704.db2.gz PRRWARMMBQEXOP-UHFFFAOYSA-N 1 2 330.344 1.327 20 5 EDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1ccccc1 ZINC000090512054 287330705 /nfs/dbraw/zinc/33/07/05/287330705.db2.gz PRRWARMMBQEXOP-UHFFFAOYSA-N 1 2 330.344 1.327 20 5 EDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000123718001 222322845 /nfs/dbraw/zinc/32/28/45/222322845.db2.gz XDZRDBHGWYQIFU-UHFFFAOYSA-N 1 2 331.369 1.498 20 5 EDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000273961348 273062355 /nfs/dbraw/zinc/06/23/55/273062355.db2.gz FTRIHMVJRMMVOO-OAHLLOKOSA-N 1 2 334.376 1.939 20 5 EDBDLO COc1ccc(OCC[N@@H+]2CCC[C@]23CCOC3=O)c([N+](=O)[O-])c1 ZINC000275121556 273101445 /nfs/dbraw/zinc/10/14/45/273101445.db2.gz PHZSQNBNIMEHSW-MRXNPFEDSA-N 1 2 336.344 1.764 20 5 EDBDLO COc1ccc(OCC[N@H+]2CCC[C@]23CCOC3=O)c([N+](=O)[O-])c1 ZINC000275121556 273101446 /nfs/dbraw/zinc/10/14/46/273101446.db2.gz PHZSQNBNIMEHSW-MRXNPFEDSA-N 1 2 336.344 1.764 20 5 EDBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000275161077 273105131 /nfs/dbraw/zinc/10/51/31/273105131.db2.gz IWSKLUZIRSAMFD-MNOVXSKESA-N 1 2 332.364 1.710 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000275763100 273126156 /nfs/dbraw/zinc/12/61/56/273126156.db2.gz BFIPWHOGTDUVHV-IAQYHMDHSA-N 1 2 346.343 1.684 20 5 EDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000284040940 274057751 /nfs/dbraw/zinc/05/77/51/274057751.db2.gz KJIVBBPBHXAGRH-UKRRQHHQSA-N 1 2 345.355 1.886 20 5 EDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000284040940 274057752 /nfs/dbraw/zinc/05/77/52/274057752.db2.gz KJIVBBPBHXAGRH-UKRRQHHQSA-N 1 2 345.355 1.886 20 5 EDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000284898792 274378972 /nfs/dbraw/zinc/37/89/72/274378972.db2.gz HATXGORXXLSMIE-UHFFFAOYSA-N 1 2 345.359 1.155 20 5 EDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285564466 274580998 /nfs/dbraw/zinc/58/09/98/274580998.db2.gz HHQMYJAMEMQHCG-SWLSCSKDSA-N 1 2 334.376 1.922 20 5 EDBDLO CC(C)[C@](C)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(N)=O ZINC000289391964 288689169 /nfs/dbraw/zinc/68/91/69/288689169.db2.gz RANOWJIPTQDKAN-HNNXBMFYSA-N 1 2 333.348 1.634 20 5 EDBDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459499367 289337152 /nfs/dbraw/zinc/33/71/52/289337152.db2.gz WVWSZXJNOLRQPT-GFCCVEGCSA-N 1 2 335.408 1.415 20 5 EDBDLO C[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)CS(C)(=O)=O ZINC000176942311 289605502 /nfs/dbraw/zinc/60/55/02/289605502.db2.gz FAGQFHMSYJRGAS-CYBMUJFWSA-N 1 2 341.433 1.398 20 5 EDBDLO O=C(NCCCn1cc[nH+]c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000161362427 302926199 /nfs/dbraw/zinc/92/61/99/302926199.db2.gz VGOGPSWOQCGCSO-UHFFFAOYSA-N 1 2 340.343 1.797 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293857604 303029176 /nfs/dbraw/zinc/02/91/76/303029176.db2.gz RRJYRBUSWDCHOV-SECBINFHSA-N 1 2 332.282 1.856 20 5 EDBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293857604 303029179 /nfs/dbraw/zinc/02/91/79/303029179.db2.gz RRJYRBUSWDCHOV-SECBINFHSA-N 1 2 332.282 1.856 20 5 EDBDLO O=c1ccn(Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000421838606 304816119 /nfs/dbraw/zinc/81/61/19/304816119.db2.gz VHCZMKBIGHBFQC-UHFFFAOYSA-N 1 2 329.356 1.637 20 5 EDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000427698145 304994920 /nfs/dbraw/zinc/99/49/20/304994920.db2.gz SFBAWINYDQSZQE-NSHDSACASA-N 1 2 332.364 1.624 20 5 EDBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000432886111 305096996 /nfs/dbraw/zinc/09/69/96/305096996.db2.gz BSVZTLXRPUDCNC-CZUORRHYSA-N 1 2 344.371 1.907 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000433839857 305113702 /nfs/dbraw/zinc/11/37/02/305113702.db2.gz BJJXTSVJCYTVKD-UHFFFAOYSA-N 1 2 332.364 1.832 20 5 EDBDLO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000437489231 305176007 /nfs/dbraw/zinc/17/60/07/305176007.db2.gz YXWMYNNBQJVWGT-JTQLQIEISA-N 1 2 332.364 1.945 20 5 EDBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000444433594 305248362 /nfs/dbraw/zinc/24/83/62/305248362.db2.gz PSVMLHKLPLFJAP-SNVBAGLBSA-N 1 2 341.331 1.400 20 5 EDBDLO CCc1nnc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000449347545 305312067 /nfs/dbraw/zinc/31/20/67/305312067.db2.gz QVQXZXYZAIVVIQ-UHFFFAOYSA-N 1 2 341.375 1.966 20 5 EDBDLO COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000450008434 305323162 /nfs/dbraw/zinc/32/31/62/305323162.db2.gz CKCAPMWBZDBOBG-CQSZACIVSA-N 1 2 344.327 1.462 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451432897 305345672 /nfs/dbraw/zinc/34/56/72/305345672.db2.gz OPCKBFUHAQAMIQ-CQSZACIVSA-N 1 2 329.303 1.544 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451432897 305345673 /nfs/dbraw/zinc/34/56/73/305345673.db2.gz OPCKBFUHAQAMIQ-CQSZACIVSA-N 1 2 329.303 1.544 20 5 EDBDLO C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451470425 305348465 /nfs/dbraw/zinc/34/84/65/305348465.db2.gz ZBTGZKXKGQOCAE-YPMHNXCESA-N 1 2 330.344 1.623 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(=O)N1C ZINC000451477479 305348768 /nfs/dbraw/zinc/34/87/68/305348768.db2.gz IDVZCMRDKUDCRL-LLVKDONJSA-N 1 2 343.343 1.083 20 5 EDBDLO O=C(NCC1=CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452430297 305398535 /nfs/dbraw/zinc/39/85/35/305398535.db2.gz YGGOWCISEYKXJA-UHFFFAOYSA-N 1 2 328.328 1.857 20 5 EDBDLO CC1(C)COC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456554064 305466409 /nfs/dbraw/zinc/46/64/09/305466409.db2.gz VKDCIAZTMKZMDJ-AWEZNQCLSA-N 1 2 330.344 1.935 20 5 EDBDLO CO[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000489185423 305561728 /nfs/dbraw/zinc/56/17/28/305561728.db2.gz HBKNLXCBMDOETP-GJZGRUSLSA-N 1 2 346.343 1.266 20 5 EDBDLO CN1CC[NH+](CCCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000543731215 306068105 /nfs/dbraw/zinc/06/81/05/306068105.db2.gz XEUKOBMTCDCHMD-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO C[NH+]1CCN(CCCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000543731215 306068106 /nfs/dbraw/zinc/06/81/06/306068106.db2.gz XEUKOBMTCDCHMD-UHFFFAOYSA-N 1 2 336.392 1.058 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(N)=O)CC1 ZINC000058377999 441187520 /nfs/dbraw/zinc/18/75/20/441187520.db2.gz TXLCSOCDRMHEOS-NSHDSACASA-N 1 2 335.364 1.008 20 5 EDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(N)=O)CC1 ZINC000058377999 441187523 /nfs/dbraw/zinc/18/75/23/441187523.db2.gz TXLCSOCDRMHEOS-NSHDSACASA-N 1 2 335.364 1.008 20 5 EDBDLO O=C(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000015117675 441196293 /nfs/dbraw/zinc/19/62/93/441196293.db2.gz UROZSYDYCHPSCR-UHFFFAOYSA-N 1 2 347.419 1.514 20 5 EDBDLO CC(C)=CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072817497 441262116 /nfs/dbraw/zinc/26/21/16/441262116.db2.gz QGNFJQFSVGMZQU-UHFFFAOYSA-N 1 2 339.417 1.867 20 5 EDBDLO Nc1c(C(=O)NCc2cn3ccccc3[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC000063663335 441341248 /nfs/dbraw/zinc/34/12/48/441341248.db2.gz DIRNVOXCQFAIPQ-UHFFFAOYSA-N 1 2 329.291 1.894 20 5 EDBDLO O=C(COc1ccccc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000028833534 441437653 /nfs/dbraw/zinc/43/76/53/441437653.db2.gz XUSCSFWHQULILC-UHFFFAOYSA-N 1 2 326.312 1.938 20 5 EDBDLO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493863 441539332 /nfs/dbraw/zinc/53/93/32/441539332.db2.gz JPKOAHCLDQFGEX-OAHLLOKOSA-N 1 2 342.417 1.273 20 5 EDBDLO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493863 441539335 /nfs/dbraw/zinc/53/93/35/441539335.db2.gz JPKOAHCLDQFGEX-OAHLLOKOSA-N 1 2 342.417 1.273 20 5 EDBDLO CC(C)NC(=O)CN1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075618860 441541885 /nfs/dbraw/zinc/54/18/85/441541885.db2.gz MBSCEOYUUVRPTP-CQSZACIVSA-N 1 2 334.420 1.798 20 5 EDBDLO CC(C)NC(=O)C[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075618860 441541888 /nfs/dbraw/zinc/54/18/88/441541888.db2.gz MBSCEOYUUVRPTP-CQSZACIVSA-N 1 2 334.420 1.798 20 5 EDBDLO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000032935123 441580154 /nfs/dbraw/zinc/58/01/54/441580154.db2.gz OASHRJBLLDORLL-MRXNPFEDSA-N 1 2 335.404 1.990 20 5 EDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000054763598 441595464 /nfs/dbraw/zinc/59/54/64/441595464.db2.gz NFFHLQVCJZOFAS-SDDRHHMPSA-N 1 2 339.367 1.961 20 5 EDBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000054763598 441595470 /nfs/dbraw/zinc/59/54/70/441595470.db2.gz NFFHLQVCJZOFAS-SDDRHHMPSA-N 1 2 339.367 1.961 20 5 EDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000174368132 441917143 /nfs/dbraw/zinc/91/71/43/441917143.db2.gz OGQZSULHFXOPGW-GFCCVEGCSA-N 1 2 349.387 1.613 20 5 EDBDLO COCCc1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000151133636 442011296 /nfs/dbraw/zinc/01/12/96/442011296.db2.gz DIACSCFFZMZADD-UHFFFAOYSA-N 1 2 336.348 1.678 20 5 EDBDLO COCCc1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000151133636 442011301 /nfs/dbraw/zinc/01/13/01/442011301.db2.gz DIACSCFFZMZADD-UHFFFAOYSA-N 1 2 336.348 1.678 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000127927065 442233951 /nfs/dbraw/zinc/23/39/51/442233951.db2.gz OUPJAXSKCSTCTP-CQSZACIVSA-N 1 2 343.387 1.766 20 5 EDBDLO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000127927065 442233952 /nfs/dbraw/zinc/23/39/52/442233952.db2.gz OUPJAXSKCSTCTP-CQSZACIVSA-N 1 2 343.387 1.766 20 5 EDBDLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000153716441 442298197 /nfs/dbraw/zinc/29/81/97/442298197.db2.gz QGRMAXZPMQGUAS-NSHDSACASA-N 1 2 343.343 1.489 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178747567 442472894 /nfs/dbraw/zinc/47/28/94/442472894.db2.gz RKACRDYJDUQFRZ-UHFFFAOYSA-N 1 2 346.368 1.862 20 5 EDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752042 442533895 /nfs/dbraw/zinc/53/38/95/442533895.db2.gz DLYGZOZCFNHUFF-NFAHFFEMSA-N 1 2 331.372 1.541 20 5 EDBDLO CS(=O)(=O)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156779119 442519902 /nfs/dbraw/zinc/51/99/02/442519902.db2.gz JOJANRBLZGMRTE-UHFFFAOYSA-N 1 2 328.390 1.483 20 5 EDBDLO CS(=O)(=O)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156779119 442519909 /nfs/dbraw/zinc/51/99/09/442519909.db2.gz JOJANRBLZGMRTE-UHFFFAOYSA-N 1 2 328.390 1.483 20 5 EDBDLO CCS(=O)(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232024 442571550 /nfs/dbraw/zinc/57/15/50/442571550.db2.gz PMNDODLYACECFY-UHFFFAOYSA-N 1 2 327.406 1.499 20 5 EDBDLO CCS(=O)(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232024 442571552 /nfs/dbraw/zinc/57/15/52/442571552.db2.gz PMNDODLYACECFY-UHFFFAOYSA-N 1 2 327.406 1.499 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](C2CCOCC2)CC1 ZINC000187647624 442683993 /nfs/dbraw/zinc/68/39/93/442683993.db2.gz ARNPLXUGIQRBQH-UHFFFAOYSA-N 1 2 335.360 1.237 20 5 EDBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000192936178 442700082 /nfs/dbraw/zinc/70/00/82/442700082.db2.gz PEKXHGDHXWEGAD-JTQLQIEISA-N 1 2 340.343 1.587 20 5 EDBDLO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187266807 442665532 /nfs/dbraw/zinc/66/55/32/442665532.db2.gz RTPKYFYYWIPGAV-GFCCVEGCSA-N 1 2 339.417 1.212 20 5 EDBDLO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187266807 442665534 /nfs/dbraw/zinc/66/55/34/442665534.db2.gz RTPKYFYYWIPGAV-GFCCVEGCSA-N 1 2 339.417 1.212 20 5 EDBDLO CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265508275 442801253 /nfs/dbraw/zinc/80/12/53/442801253.db2.gz JUOOAYNEFHVTDW-UHFFFAOYSA-N 1 2 341.799 1.291 20 5 EDBDLO CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265508275 442801257 /nfs/dbraw/zinc/80/12/57/442801257.db2.gz JUOOAYNEFHVTDW-UHFFFAOYSA-N 1 2 341.799 1.291 20 5 EDBDLO O=C1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246690069 442803556 /nfs/dbraw/zinc/80/35/56/442803556.db2.gz RHEWBBPNSMUCBU-CWRNSKLLSA-N 1 2 349.387 1.078 20 5 EDBDLO O=C1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246690069 442803558 /nfs/dbraw/zinc/80/35/58/442803558.db2.gz RHEWBBPNSMUCBU-CWRNSKLLSA-N 1 2 349.387 1.078 20 5 EDBDLO CCS(=O)(=O)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182719270 442812674 /nfs/dbraw/zinc/81/26/74/442812674.db2.gz BNYPNZFLVZBRRP-ZDUSSCGKSA-N 1 2 341.433 1.932 20 5 EDBDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000268013868 442817659 /nfs/dbraw/zinc/81/76/59/442817659.db2.gz FZEPTEGPONQGIG-CQSZACIVSA-N 1 2 347.419 1.431 20 5 EDBDLO O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)occ1O ZINC000268132313 442862239 /nfs/dbraw/zinc/86/22/39/442862239.db2.gz XQBKLCOZFSLQSJ-UHFFFAOYSA-N 1 2 331.328 1.576 20 5 EDBDLO COc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000268210568 442901292 /nfs/dbraw/zinc/90/12/92/442901292.db2.gz QIXRREADCIGZLV-IAQYHMDHSA-N 1 2 339.367 1.899 20 5 EDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185004251 318540711 /nfs/dbraw/zinc/54/07/11/318540711.db2.gz QOSGYAHVWSDTPC-VXGBXAGGSA-N 1 2 339.367 1.674 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000185136071 443145020 /nfs/dbraw/zinc/14/50/20/443145020.db2.gz ONTWROSWMKZKQD-WYVULQQZSA-N 1 2 343.405 1.241 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000185136071 443145025 /nfs/dbraw/zinc/14/50/25/443145025.db2.gz ONTWROSWMKZKQD-WYVULQQZSA-N 1 2 343.405 1.241 20 5 EDBDLO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000184948489 443104846 /nfs/dbraw/zinc/10/48/46/443104846.db2.gz FBQUJKNHSOQIHJ-UHFFFAOYSA-N 1 2 345.334 1.795 20 5 EDBDLO O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000245536716 443234646 /nfs/dbraw/zinc/23/46/46/443234646.db2.gz IOCHYXSFDJTPRG-JOCQHMNTSA-N 1 2 330.344 1.814 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185420634 443197739 /nfs/dbraw/zinc/19/77/39/443197739.db2.gz FUUBKIAEKDFDLB-SAHAZLINSA-N 1 2 327.406 1.541 20 5 EDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185420634 443197741 /nfs/dbraw/zinc/19/77/41/443197741.db2.gz FUUBKIAEKDFDLB-SAHAZLINSA-N 1 2 327.406 1.541 20 5 EDBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000269280475 443265089 /nfs/dbraw/zinc/26/50/89/443265089.db2.gz LFUINHZBUTWNKY-ZDUSSCGKSA-N 1 2 335.360 1.237 20 5 EDBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCN2CC3)c(Br)c1 ZINC000269461693 443314701 /nfs/dbraw/zinc/31/47/01/443314701.db2.gz HCKXYWJMTKRINH-JTQLQIEISA-N 1 2 342.197 1.164 20 5 EDBDLO NC(=O)c1ccc(N2CCCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000186023156 443299097 /nfs/dbraw/zinc/29/90/97/443299097.db2.gz LQYMQBDCIRHYBT-UHFFFAOYSA-N 1 2 341.371 1.805 20 5 EDBDLO Cn1cc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000267573207 443501452 /nfs/dbraw/zinc/50/14/52/443501452.db2.gz DTJCCGYNEFWXBB-MRXNPFEDSA-N 1 2 332.360 1.781 20 5 EDBDLO Cn1cc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000267573207 443501454 /nfs/dbraw/zinc/50/14/54/443501454.db2.gz DTJCCGYNEFWXBB-MRXNPFEDSA-N 1 2 332.360 1.781 20 5 EDBDLO CCCc1n[nH]c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000279410718 443580546 /nfs/dbraw/zinc/58/05/46/443580546.db2.gz WZZDNKDNLVBPSP-NSHDSACASA-N 1 2 339.396 1.063 20 5 EDBDLO CCCc1[nH]nc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000279410718 443580549 /nfs/dbraw/zinc/58/05/49/443580549.db2.gz WZZDNKDNLVBPSP-NSHDSACASA-N 1 2 339.396 1.063 20 5 EDBDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000431588359 319943487 /nfs/dbraw/zinc/94/34/87/319943487.db2.gz FLIHELUTALBYLB-UHFFFAOYSA-N 1 2 337.357 1.785 20 5 EDBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000432888574 319968896 /nfs/dbraw/zinc/96/88/96/319968896.db2.gz VCZPTBQTVPYZLE-NHYWBVRUSA-N 1 2 330.344 1.978 20 5 EDBDLO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCSC1 ZINC000436967262 320029032 /nfs/dbraw/zinc/02/90/32/320029032.db2.gz QAROZLDUDUDSTB-CQSZACIVSA-N 1 2 325.390 1.468 20 5 EDBDLO CNC(=O)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450214033 320213737 /nfs/dbraw/zinc/21/37/37/320213737.db2.gz XGNCWNXIHLYJSF-UHFFFAOYSA-N 1 2 345.359 1.379 20 5 EDBDLO CCn1cc[nH+]c1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452570666 320252206 /nfs/dbraw/zinc/25/22/06/320252206.db2.gz LTBZDVHTBKTWNO-UHFFFAOYSA-N 1 2 346.343 1.441 20 5 EDBDLO O=C(C[N@@H+](CCCO)Cc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000280946549 443780482 /nfs/dbraw/zinc/78/04/82/443780482.db2.gz IIZHRWHGAKVMQE-UHFFFAOYSA-N 1 2 344.371 1.813 20 5 EDBDLO O=C(C[N@H+](CCCO)Cc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000280946549 443780485 /nfs/dbraw/zinc/78/04/85/443780485.db2.gz IIZHRWHGAKVMQE-UHFFFAOYSA-N 1 2 344.371 1.813 20 5 EDBDLO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292657243 443810335 /nfs/dbraw/zinc/81/03/35/443810335.db2.gz CDXVCYGYKCXZEV-PHIMTYICSA-N 1 2 327.406 1.527 20 5 EDBDLO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292657243 443810341 /nfs/dbraw/zinc/81/03/41/443810341.db2.gz CDXVCYGYKCXZEV-PHIMTYICSA-N 1 2 327.406 1.527 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000285186487 443887931 /nfs/dbraw/zinc/88/79/31/443887931.db2.gz CBMHSTGCXMPVOF-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000285186487 443887934 /nfs/dbraw/zinc/88/79/34/443887934.db2.gz CBMHSTGCXMPVOF-ZDUSSCGKSA-N 1 2 341.433 1.926 20 5 EDBDLO COCCn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000536638677 320728964 /nfs/dbraw/zinc/72/89/64/320728964.db2.gz GTYLGTDZHHOPRU-UHFFFAOYSA-N 1 2 346.391 1.155 20 5 EDBDLO CO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000285276043 443923199 /nfs/dbraw/zinc/92/31/99/443923199.db2.gz FDSNECULEMATGZ-BETUJISGSA-N 1 2 328.390 1.478 20 5 EDBDLO CO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000285276043 443923201 /nfs/dbraw/zinc/92/32/01/443923201.db2.gz FDSNECULEMATGZ-BETUJISGSA-N 1 2 328.390 1.478 20 5 EDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000277970611 444071670 /nfs/dbraw/zinc/07/16/70/444071670.db2.gz QCBLDEOCKDJRIH-UHFFFAOYSA-N 1 2 344.371 1.671 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000289667677 444188736 /nfs/dbraw/zinc/18/87/36/444188736.db2.gz OVZRHWRTKWKKPM-ZDUSSCGKSA-N 1 2 345.407 1.620 20 5 EDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000289667677 444188738 /nfs/dbraw/zinc/18/87/38/444188738.db2.gz OVZRHWRTKWKKPM-ZDUSSCGKSA-N 1 2 345.407 1.620 20 5 EDBDLO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000325728843 444368741 /nfs/dbraw/zinc/36/87/41/444368741.db2.gz ZRCMSOORONVSAK-SNVBAGLBSA-N 1 2 326.316 1.995 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331179763 444433068 /nfs/dbraw/zinc/43/30/68/444433068.db2.gz YQOKEKGJOAVIFF-UHFFFAOYSA-N 1 2 343.330 1.934 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000342228818 444576527 /nfs/dbraw/zinc/57/65/27/444576527.db2.gz LOBDIMGTVGPVAZ-LLVKDONJSA-N 1 2 336.348 1.052 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000342228818 444576529 /nfs/dbraw/zinc/57/65/29/444576529.db2.gz LOBDIMGTVGPVAZ-LLVKDONJSA-N 1 2 336.348 1.052 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000342500844 444718520 /nfs/dbraw/zinc/71/85/20/444718520.db2.gz DEGIFRVCLNUMFO-PSASIEDQSA-N 1 2 333.435 1.726 20 5 EDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000342500844 444718523 /nfs/dbraw/zinc/71/85/23/444718523.db2.gz DEGIFRVCLNUMFO-PSASIEDQSA-N 1 2 333.435 1.726 20 5 EDBDLO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000344084182 444772026 /nfs/dbraw/zinc/77/20/26/444772026.db2.gz GDLWOALNZSXUBB-LLVKDONJSA-N 1 2 333.348 1.807 20 5 EDBDLO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000344084182 444772031 /nfs/dbraw/zinc/77/20/31/444772031.db2.gz GDLWOALNZSXUBB-LLVKDONJSA-N 1 2 333.348 1.807 20 5 EDBDLO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000339069844 445018307 /nfs/dbraw/zinc/01/83/07/445018307.db2.gz XKMQVVATXMNVQG-STQMWFEESA-N 1 2 341.433 1.492 20 5 EDBDLO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000347893860 445254679 /nfs/dbraw/zinc/25/46/79/445254679.db2.gz CGRZQMDMSNDJJF-UONOGXRCSA-N 1 2 349.387 1.626 20 5 EDBDLO COc1ccc(NC(=O)[C@H](C)N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357044030 445391797 /nfs/dbraw/zinc/39/17/97/445391797.db2.gz UGUCINYKFBPFAW-NSHDSACASA-N 1 2 345.359 1.643 20 5 EDBDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000360195732 445623114 /nfs/dbraw/zinc/62/31/14/445623114.db2.gz VMAUFNFEGJJZIX-MRXNPFEDSA-N 1 2 333.388 1.808 20 5 EDBDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000360195732 445623116 /nfs/dbraw/zinc/62/31/16/445623116.db2.gz VMAUFNFEGJJZIX-MRXNPFEDSA-N 1 2 333.388 1.808 20 5 EDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000353523408 445640575 /nfs/dbraw/zinc/64/05/75/445640575.db2.gz UAFQIHUSGKPLSL-NEPJUHHUSA-N 1 2 326.303 1.633 20 5 EDBDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000362995032 445642915 /nfs/dbraw/zinc/64/29/15/445642915.db2.gz UHRFTQKRTUMBIO-ZETOZRRWSA-N 1 2 339.342 1.711 20 5 EDBDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000362995032 445642921 /nfs/dbraw/zinc/64/29/21/445642921.db2.gz UHRFTQKRTUMBIO-ZETOZRRWSA-N 1 2 339.342 1.711 20 5 EDBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356205271 445674402 /nfs/dbraw/zinc/67/44/02/445674402.db2.gz OXAKNLGVBOIXBO-LBPRGKRZSA-N 1 2 344.375 1.242 20 5 EDBDLO Cc1ccc2[nH+]c(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cn2c1 ZINC000358761902 445761872 /nfs/dbraw/zinc/76/18/72/445761872.db2.gz GLZXWQQIZDGCTJ-UHFFFAOYSA-N 1 2 327.300 1.582 20 5 EDBDLO CN(C)c1cc2c(nn1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000363495098 445830989 /nfs/dbraw/zinc/83/09/89/445830989.db2.gz HGXOEISTFNXXOF-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO CN(C)c1cc2c(nn1)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000363495098 445830992 /nfs/dbraw/zinc/83/09/92/445830992.db2.gz HGXOEISTFNXXOF-UHFFFAOYSA-N 1 2 343.387 1.888 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361590288 445837045 /nfs/dbraw/zinc/83/70/45/445837045.db2.gz UBVIKYHLYSZTJT-ZDUSSCGKSA-N 1 2 329.360 1.985 20 5 EDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361590288 445837050 /nfs/dbraw/zinc/83/70/50/445837050.db2.gz UBVIKYHLYSZTJT-ZDUSSCGKSA-N 1 2 329.360 1.985 20 5 EDBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000369341388 446086866 /nfs/dbraw/zinc/08/68/66/446086866.db2.gz DAMRZIBFNMVYBA-UHFFFAOYSA-N 1 2 327.348 1.807 20 5 EDBDLO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365358826 446166812 /nfs/dbraw/zinc/16/68/12/446166812.db2.gz QOLHMMRYMXPMRV-RBSFLKMASA-N 1 2 335.429 1.385 20 5 EDBDLO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365358826 446166815 /nfs/dbraw/zinc/16/68/15/446166815.db2.gz QOLHMMRYMXPMRV-RBSFLKMASA-N 1 2 335.429 1.385 20 5 EDBDLO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000373464405 446226395 /nfs/dbraw/zinc/22/63/95/446226395.db2.gz FKBITCCXMIMWEO-CYBMUJFWSA-N 1 2 335.360 1.284 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@H](O)C[C@@H]3CO)cs2)c1 ZINC000370399117 446262242 /nfs/dbraw/zinc/26/22/42/446262242.db2.gz SAQGYOJPRXNJAD-ZIAGYGMSSA-N 1 2 335.385 1.646 20 5 EDBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cs2)c1 ZINC000370399117 446262247 /nfs/dbraw/zinc/26/22/47/446262247.db2.gz SAQGYOJPRXNJAD-ZIAGYGMSSA-N 1 2 335.385 1.646 20 5 EDBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000370533267 446321505 /nfs/dbraw/zinc/32/15/05/446321505.db2.gz KRVPESINMDUDIO-UHFFFAOYSA-N 1 2 335.360 1.237 20 5 EDBDLO Cc1c(C(=O)N2CCc3c([nH+]cn3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000370745290 446413411 /nfs/dbraw/zinc/41/34/11/446413411.db2.gz PFJGDIAUXUZEHT-UHFFFAOYSA-N 1 2 345.315 1.743 20 5 EDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000420437022 446612458 /nfs/dbraw/zinc/61/24/58/446612458.db2.gz BVOBXUNJUINPIJ-NSHDSACASA-N 1 2 349.359 1.259 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371383501 446823108 /nfs/dbraw/zinc/82/31/08/446823108.db2.gz FFQHGHPGBDKUNL-NSHDSACASA-N 1 2 331.380 1.703 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371383501 446823114 /nfs/dbraw/zinc/82/31/14/446823114.db2.gz FFQHGHPGBDKUNL-NSHDSACASA-N 1 2 331.380 1.703 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000371383501 446823121 /nfs/dbraw/zinc/82/31/21/446823121.db2.gz FFQHGHPGBDKUNL-NSHDSACASA-N 1 2 331.380 1.703 20 5 EDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000371383501 446823128 /nfs/dbraw/zinc/82/31/28/446823128.db2.gz FFQHGHPGBDKUNL-NSHDSACASA-N 1 2 331.380 1.703 20 5 EDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420994991 446971214 /nfs/dbraw/zinc/97/12/14/446971214.db2.gz NXZAJHDXUHOCCH-GFCCVEGCSA-N 1 2 349.387 1.921 20 5 EDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420994991 446971219 /nfs/dbraw/zinc/97/12/19/446971219.db2.gz NXZAJHDXUHOCCH-GFCCVEGCSA-N 1 2 349.387 1.921 20 5 EDBDLO COc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000372614432 447184220 /nfs/dbraw/zinc/18/42/20/447184220.db2.gz UCEGSRNWVBAIQB-OAHLLOKOSA-N 1 2 339.323 1.817 20 5 EDBDLO COc1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000372614432 447184225 /nfs/dbraw/zinc/18/42/25/447184225.db2.gz UCEGSRNWVBAIQB-OAHLLOKOSA-N 1 2 339.323 1.817 20 5 EDBDLO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019395 447267085 /nfs/dbraw/zinc/26/70/85/447267085.db2.gz XTNLRJRJTWLFEA-DZGCQCFKSA-N 1 2 347.350 1.794 20 5 EDBDLO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019395 447267087 /nfs/dbraw/zinc/26/70/87/447267087.db2.gz XTNLRJRJTWLFEA-DZGCQCFKSA-N 1 2 347.350 1.794 20 5 EDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H](O)C2(CC2)C1 ZINC000450780734 447574322 /nfs/dbraw/zinc/57/43/22/447574322.db2.gz RFSNHDAHQOJSMQ-AWEZNQCLSA-N 1 2 328.328 1.377 20 5 EDBDLO Cc1nc(N(CC[NH+]2CCOCC2)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000450945930 447628294 /nfs/dbraw/zinc/62/82/94/447628294.db2.gz XIOGPJBPVXLHDE-UHFFFAOYSA-N 1 2 347.375 1.625 20 5 EDBDLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000576210266 447999733 /nfs/dbraw/zinc/99/97/33/447999733.db2.gz HNTGTHLSZSAQAE-OAHLLOKOSA-N 1 2 336.392 1.505 20 5 EDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000576210266 447999739 /nfs/dbraw/zinc/99/97/39/447999739.db2.gz HNTGTHLSZSAQAE-OAHLLOKOSA-N 1 2 336.392 1.505 20 5 EDBDLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515033390 448244572 /nfs/dbraw/zinc/24/45/72/448244572.db2.gz SUGSLNDYBKQHLO-UHFFFAOYSA-N 1 2 349.416 1.344 20 5 EDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379222 448416030 /nfs/dbraw/zinc/41/60/30/448416030.db2.gz VLIOVARZWYYWIN-UHFFFAOYSA-N 1 2 340.295 1.901 20 5 EDBDLO CC(C)Oc1nc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000516937907 448503342 /nfs/dbraw/zinc/50/33/42/448503342.db2.gz PLAZURHTQCAOCO-STQMWFEESA-N 1 2 338.408 2.298 20 5 EDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000584664656 448592881 /nfs/dbraw/zinc/59/28/81/448592881.db2.gz MBMBLRJYHPNBCT-UHFFFAOYSA-N 1 2 342.359 1.238 20 5 EDBDLO COC(=O)[C@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000544123540 448755220 /nfs/dbraw/zinc/75/52/20/448755220.db2.gz LZMOAGAPNRABEM-BLLLJJGKSA-N 1 2 338.360 1.266 20 5 EDBDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000586790347 448812619 /nfs/dbraw/zinc/81/26/19/448812619.db2.gz VPXHSJVGUHLCFR-LBPRGKRZSA-N 1 2 340.343 1.765 20 5 EDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000587866712 448845689 /nfs/dbraw/zinc/84/56/89/448845689.db2.gz PJVXWBMSTJKUIW-LLVKDONJSA-N 1 2 331.332 1.814 20 5 EDBDLO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000592866264 449027060 /nfs/dbraw/zinc/02/70/60/449027060.db2.gz XELNVMUABHXBKT-LLVKDONJSA-N 1 2 346.343 1.710 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)CO ZINC000597849040 449121812 /nfs/dbraw/zinc/12/18/12/449121812.db2.gz ZAVZMMRYTUCMQF-CYBMUJFWSA-N 1 2 348.359 1.524 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000595790967 449167928 /nfs/dbraw/zinc/16/79/28/449167928.db2.gz RPUBQXXFEQIDDX-KAOXEZKKSA-N 1 2 340.401 1.400 20 5 EDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000595790967 449167934 /nfs/dbraw/zinc/16/79/34/449167934.db2.gz RPUBQXXFEQIDDX-KAOXEZKKSA-N 1 2 340.401 1.400 20 5 EDBDLO COCCOCCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000593116549 449142387 /nfs/dbraw/zinc/14/23/87/449142387.db2.gz LURMRXJZFXALTC-UHFFFAOYSA-N 1 2 337.420 1.684 20 5 EDBDLO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000590589207 449204939 /nfs/dbraw/zinc/20/49/39/449204939.db2.gz MPXBDYLZDUHWKP-UHFFFAOYSA-N 1 2 331.369 1.369 20 5 EDBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611196644 449212059 /nfs/dbraw/zinc/21/20/59/449212059.db2.gz YFQGXTFCKOKIEP-LBPRGKRZSA-N 1 2 344.371 1.623 20 5 EDBDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611204844 449213243 /nfs/dbraw/zinc/21/32/43/449213243.db2.gz BCRGLHIUYCPXEV-GFCCVEGCSA-N 1 2 336.392 1.640 20 5 EDBDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611204844 449213248 /nfs/dbraw/zinc/21/32/48/449213248.db2.gz BCRGLHIUYCPXEV-GFCCVEGCSA-N 1 2 336.392 1.640 20 5 EDBDLO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C(N)=O)O1 ZINC000600192717 449237006 /nfs/dbraw/zinc/23/70/06/449237006.db2.gz JQLIKYWSJBVLQS-MEDUHNTESA-N 1 2 345.355 1.929 20 5 EDBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C(N)=O)O1 ZINC000600192717 449237013 /nfs/dbraw/zinc/23/70/13/449237013.db2.gz JQLIKYWSJBVLQS-MEDUHNTESA-N 1 2 345.355 1.929 20 5 EDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000604562301 449257189 /nfs/dbraw/zinc/25/71/89/449257189.db2.gz LLPHGPQWEXNGLZ-HNNXBMFYSA-N 1 2 333.388 1.840 20 5 EDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342067 449356487 /nfs/dbraw/zinc/35/64/87/449356487.db2.gz DCSMXMIYXPCUOS-UHFFFAOYSA-N 1 2 347.415 1.708 20 5 EDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@]1(C)CO ZINC000598448542 449398874 /nfs/dbraw/zinc/39/88/74/449398874.db2.gz NWWDXLCHCSIXBH-PXAZEXFGSA-N 1 2 344.371 1.871 20 5 EDBDLO CCOC(=O)c1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000598459045 449405810 /nfs/dbraw/zinc/40/58/10/449405810.db2.gz CXRGKIUYLVSKOZ-JTQLQIEISA-N 1 2 346.343 1.996 20 5 EDBDLO COc1cc(NC[C@H]2C[NH+]3CCN2CC3)c(Cl)cc1[N+](=O)[O-] ZINC000596170547 449394651 /nfs/dbraw/zinc/39/46/51/449394651.db2.gz UNAZBPGDPUZSEL-JTQLQIEISA-N 1 2 326.784 1.669 20 5 EDBDLO O=[N+]([O-])c1cccc(Br)c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000596169732 449395135 /nfs/dbraw/zinc/39/51/35/449395135.db2.gz KNUMWXKVMYGXDA-JTQLQIEISA-N 1 2 341.209 1.769 20 5 EDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598606479 449489760 /nfs/dbraw/zinc/48/97/60/449489760.db2.gz KYMQGKJRIKOWKF-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598606479 449489767 /nfs/dbraw/zinc/48/97/67/449489767.db2.gz KYMQGKJRIKOWKF-LBPRGKRZSA-N 1 2 341.433 1.926 20 5 EDBDLO CC(C)Oc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000598940488 449659396 /nfs/dbraw/zinc/65/93/96/449659396.db2.gz VGYWVRAULZMODS-GFCCVEGCSA-N 1 2 330.344 1.933 20 5 EDBDLO CC1CC[NH+](CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594749611 449665584 /nfs/dbraw/zinc/66/55/84/449665584.db2.gz VPWGIXDAMAKOGX-UHFFFAOYSA-N 1 2 328.394 1.000 20 5 EDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997474 449642832 /nfs/dbraw/zinc/64/28/32/449642832.db2.gz CPNBMUOWBHDEBP-AWEZNQCLSA-N 1 2 347.415 1.853 20 5 EDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599067286 449715950 /nfs/dbraw/zinc/71/59/50/449715950.db2.gz YUEUKZMJQOBCQR-ARFHVFGLSA-N 1 2 346.387 1.547 20 5 EDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602875877 449884215 /nfs/dbraw/zinc/88/42/15/449884215.db2.gz VIHWDNXPGLFWEK-GFCCVEGCSA-N 1 2 329.347 1.901 20 5 EDBDLO CCOC(=O)[C@@]1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000603003047 449998618 /nfs/dbraw/zinc/99/86/18/449998618.db2.gz REVLDKPMNMYUDX-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000603003047 449998621 /nfs/dbraw/zinc/99/86/21/449998621.db2.gz REVLDKPMNMYUDX-MRXNPFEDSA-N 1 2 338.360 1.628 20 5 EDBDLO CCc1ccc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595381988 450095117 /nfs/dbraw/zinc/09/51/17/450095117.db2.gz AVEJOFSKGDJVOI-JTQLQIEISA-N 1 2 338.389 1.930 20 5 EDBDLO CCOC(=O)C1(COC)CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595466862 450160858 /nfs/dbraw/zinc/16/08/58/450160858.db2.gz ONZPLPXDIVEVHX-UHFFFAOYSA-N 1 2 341.364 1.683 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595467318 450162252 /nfs/dbraw/zinc/16/22/52/450162252.db2.gz KDMAXIHVACMBOH-JTQLQIEISA-N 1 2 333.348 1.897 20 5 EDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595475581 450168986 /nfs/dbraw/zinc/16/89/86/450168986.db2.gz LMQPWEPAUFLRFS-HNNXBMFYSA-N 1 2 334.376 1.211 20 5 EDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708597 450212960 /nfs/dbraw/zinc/21/29/60/450212960.db2.gz CIJRBYWMFKZJPB-AWEZNQCLSA-N 1 2 349.387 1.540 20 5 EDBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000616136034 450332079 /nfs/dbraw/zinc/33/20/79/450332079.db2.gz QXIFHPUHZSBQDB-UHFFFAOYSA-N 1 2 334.332 1.502 20 5 EDBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000616136034 450332081 /nfs/dbraw/zinc/33/20/81/450332081.db2.gz QXIFHPUHZSBQDB-UHFFFAOYSA-N 1 2 334.332 1.502 20 5 EDBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000603844275 450358545 /nfs/dbraw/zinc/35/85/45/450358545.db2.gz IUXXHTYBCYMYDY-LBPRGKRZSA-N 1 2 325.332 1.902 20 5 EDBDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000603878498 450363968 /nfs/dbraw/zinc/36/39/68/450363968.db2.gz QMAXCYXTYHSGIT-UHFFFAOYSA-N 1 2 348.403 1.914 20 5 EDBDLO O=C(NCC1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194696826 491235688 /nfs/dbraw/zinc/23/56/88/491235688.db2.gz FYXKIHMFOBACOG-UHFFFAOYSA-N 1 2 330.344 1.937 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000187273277 533877731 /nfs/dbraw/zinc/87/77/31/533877731.db2.gz ORJRGWRXUHXECF-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000187273277 533877736 /nfs/dbraw/zinc/87/77/36/533877736.db2.gz ORJRGWRXUHXECF-JTQLQIEISA-N 1 2 327.768 1.387 20 5 EDBDLO CCc1nn(C)c(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000271220783 536181907 /nfs/dbraw/zinc/18/19/07/536181907.db2.gz CRJADAGQAKFJQB-UHFFFAOYSA-N 1 2 346.391 1.734 20 5 EDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000760593878 580034410 /nfs/dbraw/zinc/03/44/10/580034410.db2.gz DZZLUUPCASDRDG-UHFFFAOYSA-N 1 2 340.336 1.519 20 5 EDBDLO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000761484738 580058068 /nfs/dbraw/zinc/05/80/68/580058068.db2.gz XCUSBZOWIWLZQK-UHFFFAOYSA-N 1 2 338.287 1.626 20 5 EDBDLO CN1CC[C@H]([N@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1=O ZINC000777956454 580453473 /nfs/dbraw/zinc/45/34/73/580453473.db2.gz HCFYCDUKHPXSPN-HNNXBMFYSA-N 1 2 329.360 1.578 20 5 EDBDLO CN1CC[C@H]([N@@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1=O ZINC000777956454 580453474 /nfs/dbraw/zinc/45/34/74/580453474.db2.gz HCFYCDUKHPXSPN-HNNXBMFYSA-N 1 2 329.360 1.578 20 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580244933 /nfs/dbraw/zinc/24/49/33/580244933.db2.gz JNXQIGVKJAZKBR-UHFFFAOYSA-N 1 2 338.364 1.274 20 5 EDBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000771149289 580280961 /nfs/dbraw/zinc/28/09/61/580280961.db2.gz ZAGKYJBFHRFNNZ-JOCHJYFZSA-N 1 2 327.406 1.104 20 5 EDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636052 580368330 /nfs/dbraw/zinc/36/83/30/580368330.db2.gz JQWNELKEEVQKJE-MNOVXSKESA-N 1 2 349.778 1.908 20 5 EDBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636052 580368331 /nfs/dbraw/zinc/36/83/31/580368331.db2.gz JQWNELKEEVQKJE-MNOVXSKESA-N 1 2 349.778 1.908 20 5 EDBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584611 580422291 /nfs/dbraw/zinc/42/22/91/580422291.db2.gz NIWCKNJYKUZUHY-UHIISALHSA-N 1 2 330.406 1.382 20 5 EDBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584611 580422292 /nfs/dbraw/zinc/42/22/92/580422292.db2.gz NIWCKNJYKUZUHY-UHIISALHSA-N 1 2 330.406 1.382 20 5 EDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000779566960 580490087 /nfs/dbraw/zinc/49/00/87/580490087.db2.gz SNGROEKSHCMRDC-GFCCVEGCSA-N 1 2 332.316 1.071 20 5 EDBDLO COc1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000782207601 580569119 /nfs/dbraw/zinc/56/91/19/580569119.db2.gz OFXHWYGCAYOSBK-UHFFFAOYSA-N 1 2 340.405 1.222 20 5 EDBDLO COC[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@@H](C)O1 ZINC000783968967 580609509 /nfs/dbraw/zinc/60/95/09/580609509.db2.gz SCVQEZZSFJWUBD-MFKMUULPSA-N 1 2 335.364 1.341 20 5 EDBDLO COC[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@@H](C)O1 ZINC000783968967 580609510 /nfs/dbraw/zinc/60/95/10/580609510.db2.gz SCVQEZZSFJWUBD-MFKMUULPSA-N 1 2 335.364 1.341 20 5 EDBDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000800190840 581047090 /nfs/dbraw/zinc/04/70/90/581047090.db2.gz PFQIMWQHTKMICW-GFCCVEGCSA-N 1 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CO[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000895968742 591315033 /nfs/dbraw/zinc/31/50/33/591315033.db2.gz FLSNCYFPEFDKLR-HNNXBMFYSA-N 1 2 332.360 1.800 20 5 EDBDLO CCn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000894800371 591420453 /nfs/dbraw/zinc/42/04/53/591420453.db2.gz CSYFZNBCYNVONJ-UHFFFAOYSA-N 1 2 330.392 1.837 20 5 EDBDLO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895247158 591679597 /nfs/dbraw/zinc/67/95/97/591679597.db2.gz FEBJLGIEVIIFGO-NHYWBVRUSA-N 1 2 335.408 1.001 20 5 EDBDLO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895247158 591679598 /nfs/dbraw/zinc/67/95/98/591679598.db2.gz FEBJLGIEVIIFGO-NHYWBVRUSA-N 1 2 335.408 1.001 20 5 EDBDLO COC[C@H]1CC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083144 593142718 /nfs/dbraw/zinc/14/27/18/593142718.db2.gz MZEWKSZYIUMXLJ-CJNGLKHVSA-N 1 2 348.359 1.040 20 5 EDBDLO COC[C@H]1CC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083144 593142720 /nfs/dbraw/zinc/14/27/20/593142720.db2.gz MZEWKSZYIUMXLJ-CJNGLKHVSA-N 1 2 348.359 1.040 20 5 EDBDLO C[N@H+](CCn1cc(Br)cn1)Cn1nccc1[N+](=O)[O-] ZINC000808242763 593245100 /nfs/dbraw/zinc/24/51/00/593245100.db2.gz KOWDICVJRUIDJL-UHFFFAOYSA-N 1 2 329.158 1.340 20 5 EDBDLO C[N@@H+](CCn1cc(Br)cn1)Cn1nccc1[N+](=O)[O-] ZINC000808242763 593245102 /nfs/dbraw/zinc/24/51/02/593245102.db2.gz KOWDICVJRUIDJL-UHFFFAOYSA-N 1 2 329.158 1.340 20 5 EDBDLO O=C1[C@H]2CCC[C@H]2CN1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000839964165 593246595 /nfs/dbraw/zinc/24/65/95/593246595.db2.gz NQKLPGKINLSBEP-YOEHRIQHSA-N 1 2 344.415 1.933 20 5 EDBDLO O=C(C[N@H+]1CCC[C@](O)(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839149714 593264931 /nfs/dbraw/zinc/26/49/31/593264931.db2.gz VCGRRNXVQKKOBG-CQSZACIVSA-N 1 2 343.767 1.006 20 5 EDBDLO O=C(C[N@@H+]1CCC[C@](O)(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839149714 593264933 /nfs/dbraw/zinc/26/49/33/593264933.db2.gz VCGRRNXVQKKOBG-CQSZACIVSA-N 1 2 343.767 1.006 20 5 EDBDLO C[C@H]1CSCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840010934 593345099 /nfs/dbraw/zinc/34/50/99/593345099.db2.gz WSAPKEUPAIEOPX-XHDPSFHLSA-N 1 2 337.401 1.927 20 5 EDBDLO C[C@H]1CSCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840010934 593345100 /nfs/dbraw/zinc/34/51/00/593345100.db2.gz WSAPKEUPAIEOPX-XHDPSFHLSA-N 1 2 337.401 1.927 20 5 EDBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000839691978 593364320 /nfs/dbraw/zinc/36/43/20/593364320.db2.gz JRZKSMRFVHTKKB-MIGQKNRLSA-N 1 2 333.388 1.057 20 5 EDBDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000839691978 593364322 /nfs/dbraw/zinc/36/43/22/593364322.db2.gz JRZKSMRFVHTKKB-MIGQKNRLSA-N 1 2 333.388 1.057 20 5 EDBDLO COC[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840021132 593383063 /nfs/dbraw/zinc/38/30/63/593383063.db2.gz ALLUWIBFGDOOMY-BBRMVZONSA-N 1 2 335.360 1.600 20 5 EDBDLO COC[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840021132 593383066 /nfs/dbraw/zinc/38/30/66/593383066.db2.gz ALLUWIBFGDOOMY-BBRMVZONSA-N 1 2 335.360 1.600 20 5 EDBDLO Nc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)cc(CO)c1[N+](=O)[O-] ZINC000811779541 593481778 /nfs/dbraw/zinc/48/17/78/593481778.db2.gz VMMWKWNSWZAARU-UHFFFAOYSA-N 1 2 340.343 1.862 20 5 EDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000819336819 593751133 /nfs/dbraw/zinc/75/11/33/593751133.db2.gz KFXVDLUVROJFEJ-CYBMUJFWSA-N 1 2 336.373 1.300 20 5 EDBDLO