smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)NCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000510386382 530137461 /nfs/dbraw/zinc/13/74/61/530137461.db2.gz LKNXTRDYENTPLY-UHFFFAOYSA-N 0 0 391.471 0.686 10 5 GCBERN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cnc([N+](=O)[O-])n2)s1 ZINC000609517713 530137743 /nfs/dbraw/zinc/13/77/43/530137743.db2.gz KZRTVZKMGBIISG-QMMMGPOBSA-N 0 0 383.415 0.491 10 5 GCBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)C(F)(F)F)CC2)c1 ZINC000185152741 530586830 /nfs/dbraw/zinc/58/68/30/530586830.db2.gz KDXHSJOGBNJRTI-LBPRGKRZSA-N 0 0 383.348 0.824 10 5 GCBERN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCSC[C@@H]1CCO)OCCO2 ZINC000535456702 530903847 /nfs/dbraw/zinc/90/38/47/530903847.db2.gz YEDCZAZMDGLHQH-JTQLQIEISA-N 0 0 390.439 0.855 10 5 GCBERN Cc1c(Cl)cc(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619752356 530883070 /nfs/dbraw/zinc/88/30/70/530883070.db2.gz VIQJEAZRBRXYOG-UHFFFAOYSA-N 0 0 397.862 0.915 10 5 GCBERN Cc1sc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000115835209 530890955 /nfs/dbraw/zinc/89/09/55/530890955.db2.gz UHZDGISZOINGNM-UHFFFAOYSA-N 0 0 376.460 0.272 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(F)(F)CO ZINC000466411993 530912205 /nfs/dbraw/zinc/91/22/05/530912205.db2.gz JJZOFQKXOZZERN-QMMMGPOBSA-N 0 0 381.357 0.783 10 5 GCBERN C[C@@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000472585342 530923978 /nfs/dbraw/zinc/92/39/78/530923978.db2.gz KTIQUAOPUFYWRP-LLVKDONJSA-N 0 0 392.459 0.192 10 5 GCBERN CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443767110 530936379 /nfs/dbraw/zinc/93/63/79/530936379.db2.gz YDYSCDBAJSSAID-UHFFFAOYSA-N 0 0 391.471 0.780 10 5 GCBERN CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443791619 530938699 /nfs/dbraw/zinc/93/86/99/530938699.db2.gz RTPFTKXAPOWNCH-JSGCOSHPSA-N 0 0 391.471 0.732 10 5 GCBERN O=C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1 ZINC000193769494 530994003 /nfs/dbraw/zinc/99/40/03/530994003.db2.gz ZORTZXQAOJZXHM-UHFFFAOYSA-N 0 0 378.204 0.868 10 5 GCBERN Cn1nc(Br)cc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192179454 530998676 /nfs/dbraw/zinc/99/86/76/530998676.db2.gz VQVLRLVKMWKXEW-MFKMUULPSA-N 0 0 399.201 0.915 10 5 GCBERN CN1CCO[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173080704 639637020 /nfs/dbraw/zinc/63/70/20/639637020.db2.gz IECFQEVJXPZRIC-JTQLQIEISA-N 0 0 394.247 0.966 10 5 GCBERN CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000752006733 640399888 /nfs/dbraw/zinc/39/98/88/640399888.db2.gz HNXPHDBUXYMSBT-GFCCVEGCSA-N 0 0 380.469 0.844 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000761798805 640596531 /nfs/dbraw/zinc/59/65/31/640596531.db2.gz VANIDXNFXFEVBS-UHFFFAOYSA-N 0 0 381.146 0.934 10 5 GCBERN CC(=O)NC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CCO1 ZINC000798292343 641581154 /nfs/dbraw/zinc/58/11/54/641581154.db2.gz DOSGKMQGTPGXCM-SECBINFHSA-N 0 0 387.190 0.729 10 5 GCBERN C[C@@](O)(CO)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000097514796 642065645 /nfs/dbraw/zinc/06/56/45/642065645.db2.gz BPSGPWUOZLAGKN-NSHDSACASA-N 0 0 380.138 0.673 10 5 GCBERN COc1ccc(C(=O)NCC(=O)NC[C@@H](C)N2CCCCC2=O)cc1[N+](=O)[O-] ZINC000549746946 1192869030 /nfs/dbraw/zinc/86/90/30/1192869030.db2.gz LXDJOTRUHRRHAU-GFCCVEGCSA-N 0 0 392.412 0.850 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)CC1CCC1 ZINC000561018286 1185097613 /nfs/dbraw/zinc/09/76/13/1185097613.db2.gz AAXXFOLZSJVQSO-ZDUSSCGKSA-N 0 0 385.442 0.931 10 5 GCBERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CN(C)CCO1 ZINC000610907175 1186259261 /nfs/dbraw/zinc/25/92/61/1186259261.db2.gz YTLNLCWWSVQOMV-SCRDCRAPSA-N 0 0 380.401 0.628 10 5 GCBERN CO[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000472117939 1186362410 /nfs/dbraw/zinc/36/24/10/1186362410.db2.gz OIHLLTJVFVTWND-AAEUAGOBSA-N 0 0 386.430 0.740 10 5 GCBERN NC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000472184284 1186441988 /nfs/dbraw/zinc/44/19/88/1186441988.db2.gz ZEXMYBNFVCBKJZ-RYUDHWBXSA-N 0 0 378.385 0.906 10 5 GCBERN Cc1noc(CN2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000582986796 1186742746 /nfs/dbraw/zinc/74/27/46/1186742746.db2.gz CVXGMIPPCGGRJX-AWEZNQCLSA-N 0 0 377.401 0.844 10 5 GCBERN CCOC(=O)C1(S(C)(=O)=O)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000376189354 1187661688 /nfs/dbraw/zinc/66/16/88/1187661688.db2.gz UUQJPJBHSSAEIL-UHFFFAOYSA-N 0 0 397.413 0.584 10 5 GCBERN O=C([C@H]1C[C@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000613093767 1187664185 /nfs/dbraw/zinc/66/41/85/1187664185.db2.gz CGGOUUSCVAYFMW-WBVHZDCISA-N 0 0 395.437 0.854 10 5 GCBERN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000452230335 1188023952 /nfs/dbraw/zinc/02/39/52/1188023952.db2.gz RFQZUVLKBZTJMW-AWEZNQCLSA-N 0 0 391.380 0.363 10 5 GCBERN COc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c([N+](=O)[O-])c1 ZINC000377940171 1189379836 /nfs/dbraw/zinc/37/98/36/1189379836.db2.gz ANTRTAGXIBEVMY-ZDUSSCGKSA-N 0 0 399.425 0.662 10 5 GCBERN O=C1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C1CCOCC1 ZINC000377941132 1189380779 /nfs/dbraw/zinc/38/07/79/1189380779.db2.gz FTXHBMRHWBBZPQ-ZDUSSCGKSA-N 0 0 387.389 0.792 10 5 GCBERN COc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000377945352 1189382135 /nfs/dbraw/zinc/38/21/35/1189382135.db2.gz JMFLAASBDRQXHN-ZDUSSCGKSA-N 0 0 399.425 0.662 10 5 GCBERN Cn1cc(N2CC[C@@H](NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000366661223 1194256593 /nfs/dbraw/zinc/25/65/93/1194256593.db2.gz PLPFBJWDGUVTLG-CQSZACIVSA-N 0 0 379.398 0.553 10 5 GCBERN COCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000366707906 1194267766 /nfs/dbraw/zinc/26/77/66/1194267766.db2.gz IOAYYDBWYJERCP-GFCCVEGCSA-N 0 0 381.414 0.767 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000434636813 1194856156 /nfs/dbraw/zinc/85/61/56/1194856156.db2.gz JHUMJSXDBLZVGH-OLZOCXBDSA-N 0 0 381.385 0.792 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000518389614 1195287730 /nfs/dbraw/zinc/28/77/30/1195287730.db2.gz YBBSJBTZRRSHQT-CYBMUJFWSA-N 0 0 390.396 0.873 10 5 GCBERN CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000518934440 1195347038 /nfs/dbraw/zinc/34/70/38/1195347038.db2.gz WRINWJUEMKKDRX-VXGBXAGGSA-N 0 0 378.385 0.777 10 5 GCBERN CN(C[C@H]1CCC[C@H]1O)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000550097006 1195435564 /nfs/dbraw/zinc/43/55/64/1195435564.db2.gz OCHVVIWTBLXVJV-IUODEOHRSA-N 0 0 385.442 0.883 10 5 GCBERN CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000760038125 1195772518 /nfs/dbraw/zinc/77/25/18/1195772518.db2.gz BWSQHAKLWCGDPL-NSHDSACASA-N 0 0 387.414 0.686 10 5 GCBERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000441690232 1195820911 /nfs/dbraw/zinc/82/09/11/1195820911.db2.gz OVVOJXXZTAIDQD-UHFFFAOYSA-N 0 0 392.412 0.938 10 5 GCBERN O=C(NC[C@H]1CCCCS1(=O)=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000544090353 1195881908 /nfs/dbraw/zinc/88/19/08/1195881908.db2.gz LOYGSLXGCFESMD-VXGBXAGGSA-N 0 0 399.425 0.876 10 5 GCBERN CCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000443035830 1196017307 /nfs/dbraw/zinc/01/73/07/1196017307.db2.gz KPPKMQVKXHBSJR-CYBMUJFWSA-N 0 0 384.414 0.000 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC000521863487 1196021239 /nfs/dbraw/zinc/02/12/39/1196021239.db2.gz ZYCHTGNUGSVCHP-NSHDSACASA-N 0 0 380.361 0.866 10 5 GCBERN C[C@@H]1CN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970478 1196029529 /nfs/dbraw/zinc/02/95/29/1196029529.db2.gz LKXWAOYOBALJET-OLZOCXBDSA-N 0 0 380.401 0.629 10 5 GCBERN CN(CCn1cccn1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521985555 1196031867 /nfs/dbraw/zinc/03/18/67/1196031867.db2.gz CXWCZJVYBNQMBP-UHFFFAOYSA-N 0 0 381.414 0.618 10 5 GCBERN Cc1cc(N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)n2ncnc2n1 ZINC000121121290 1196074231 /nfs/dbraw/zinc/07/42/31/1196074231.db2.gz HZWMRWIBKXJKTC-UHFFFAOYSA-N 0 0 382.384 0.886 10 5 GCBERN COC[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000525105637 1196650492 /nfs/dbraw/zinc/65/04/92/1196650492.db2.gz NZKZQEUXYKCKBA-CYBMUJFWSA-N 0 0 387.414 0.137 10 5 GCBERN COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000447841936 1196753461 /nfs/dbraw/zinc/75/34/61/1196753461.db2.gz FZDYAPUJAGLWJG-HOCLYGCPSA-N 0 0 388.442 0.770 10 5 GCBERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451239721 1196982403 /nfs/dbraw/zinc/98/24/03/1196982403.db2.gz BTSNKCRQZYMZJY-DTWKUNHWSA-N 0 0 385.348 0.929 10 5 GCBERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC12COC2 ZINC000451621398 1197001227 /nfs/dbraw/zinc/00/12/27/1197001227.db2.gz VVDLWHKBXZIPOS-SNVBAGLBSA-N 0 0 388.373 0.934 10 5 GCBERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC12COC2 ZINC000451621397 1197001357 /nfs/dbraw/zinc/00/13/57/1197001357.db2.gz VVDLWHKBXZIPOS-JTQLQIEISA-N 0 0 388.373 0.934 10 5 GCBERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC12COC2 ZINC000451622248 1197001673 /nfs/dbraw/zinc/00/16/73/1197001673.db2.gz ZEKWUXPNFPCDSW-JTQLQIEISA-N 0 0 388.402 0.011 10 5 GCBERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000451619732 1197003262 /nfs/dbraw/zinc/00/32/62/1197003262.db2.gz KNZVQJQHKMZQRH-AWEZNQCLSA-N 0 0 398.437 0.979 10 5 GCBERN COCC1(O)CN(C(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000452568281 1197069374 /nfs/dbraw/zinc/06/93/74/1197069374.db2.gz OWWXXYWZRMUUHL-JTQLQIEISA-N 0 0 387.414 0.259 10 5 GCBERN COC(=O)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000470062947 1197242498 /nfs/dbraw/zinc/24/24/98/1197242498.db2.gz TVRIEBJGMBGYOD-RISCZKNCSA-N 0 0 399.425 0.673 10 5 GCBERN CCn1cc(S(=O)(=O)N[C@H]2CCN(c3ccccc3)C2=O)c([N+](=O)[O-])n1 ZINC000533631835 1197463419 /nfs/dbraw/zinc/46/34/19/1197463419.db2.gz DULYMKRLTHEMRB-LBPRGKRZSA-N 0 0 379.398 0.895 10 5 GCBERN CCN(CC)C(=O)CN1CCCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191813322 1197480702 /nfs/dbraw/zinc/48/07/02/1197480702.db2.gz BKFLOUWXLLCGOK-UHFFFAOYSA-N 0 0 380.449 0.828 10 5 GCBERN CN(C[C@H](O)C(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000542752026 1199025573 /nfs/dbraw/zinc/02/55/73/1199025573.db2.gz ZRQJTVCQHMSWCB-NSHDSACASA-N 0 0 399.347 0.645 10 5 GCBERN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCN(c2cccnn2)CC1 ZINC000067151069 1199493602 /nfs/dbraw/zinc/49/36/02/1199493602.db2.gz KVTMJDBXTYQLQI-UHFFFAOYSA-N 0 0 380.368 0.928 10 5 GCBERN COC(=O)c1cc(C)nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000555901432 1199918963 /nfs/dbraw/zinc/91/89/63/1199918963.db2.gz NTNWXUDPEKYTHO-ZDUSSCGKSA-N 0 0 378.385 0.912 10 5 GCBERN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)nn21 ZINC000377350032 1200936001 /nfs/dbraw/zinc/93/60/01/1200936001.db2.gz HZXHXZWUGBHGIV-LBPRGKRZSA-N 0 0 388.409 1.513 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000611156585 1201219652 /nfs/dbraw/zinc/21/96/52/1201219652.db2.gz BSFAFHSPEGXKNI-CQSZACIVSA-N 0 0 394.819 0.718 10 5 GCBERN COCC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000611508882 1201242256 /nfs/dbraw/zinc/24/22/56/1201242256.db2.gz MOPMPGJBMFTTML-UHFFFAOYSA-N 0 0 383.426 0.854 10 5 GCBERN CN1C(=S)N=NC1CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732073708 1201517506 /nfs/dbraw/zinc/51/75/06/1201517506.db2.gz JTGWITSZZQMYCM-SECBINFHSA-N 0 0 394.413 0.569 10 5 GCBERN C[C@H]1CN(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000733559776 1201595946 /nfs/dbraw/zinc/59/59/46/1201595946.db2.gz VCSXNNVXUJSABR-RYUDHWBXSA-N 0 0 395.368 0.583 10 5 GCBERN COc1ccc([C@H]2[C@H](COC(=O)Cn3cnc([N+](=O)[O-])n3)CC(=O)N2C)cc1 ZINC000735785338 1201702067 /nfs/dbraw/zinc/70/20/67/1201702067.db2.gz MIVBNDVFQNAREX-LRDDRELGSA-N 0 0 389.368 0.958 10 5 GCBERN Cc1nnc(CN2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000736151476 1201710696 /nfs/dbraw/zinc/71/06/96/1201710696.db2.gz FWQVSNGKIFRXSE-UHFFFAOYSA-N 0 0 388.384 0.557 10 5 GCBERN Cn1cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000741324673 1201774616 /nfs/dbraw/zinc/77/46/16/1201774616.db2.gz GUPTYHAWQXKSPZ-NSHDSACASA-N 0 0 376.325 0.952 10 5 GCBERN CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000746156325 1201901973 /nfs/dbraw/zinc/90/19/73/1201901973.db2.gz FNKRTFGZAVYOHD-LLVKDONJSA-N 0 0 379.325 0.816 10 5 GCBERN CC1(C)OC[C@H](COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 ZINC000771615999 1202151168 /nfs/dbraw/zinc/15/11/68/1202151168.db2.gz JGZXRCSROYJAIG-LBPRGKRZSA-N 0 0 388.398 0.958 10 5 GCBERN COC(COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)OC ZINC000789915555 1205451262 /nfs/dbraw/zinc/45/12/62/1205451262.db2.gz 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CS(=O)(=O)NCC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000510181750 1184596180 /nfs/dbraw/zinc/59/61/80/1184596180.db2.gz CFHUTQAQSJYMNO-INIZCTEOSA-N 0 0 396.469 0.961 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000548110864 1185270396 /nfs/dbraw/zinc/27/03/96/1185270396.db2.gz LODLZEJKZMQEGL-VHSXEESVSA-N 0 0 384.414 0.386 10 5 GCBERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000135066232 1185342710 /nfs/dbraw/zinc/34/27/10/1185342710.db2.gz PUIAHUJXHXFNMJ-GFCCVEGCSA-N 0 0 383.364 0.671 10 5 GCBERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610472018 1185452051 /nfs/dbraw/zinc/45/20/51/1185452051.db2.gz VSNANGKQYBWKLC-AWEZNQCLSA-N 0 0 391.380 0.876 10 5 GCBERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCc3c(cccc3[N+](=O)[O-])C1)CC2 ZINC000561570398 1185905727 /nfs/dbraw/zinc/90/57/27/1185905727.db2.gz CGHAHLPQAAQUPN-ZDUSSCGKSA-N 0 0 398.423 0.765 10 5 GCBERN 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CC(=O)NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000188562669 530314414 /nfs/dbraw/zinc/31/44/14/530314414.db2.gz QLGBQJQMWWAKBR-UHFFFAOYSA-N 0 0 378.204 0.866 10 5 GCBERN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000372150080 530890890 /nfs/dbraw/zinc/89/08/90/530890890.db2.gz MUQXCWASALCOOL-SECBINFHSA-N 0 0 397.862 0.869 10 5 GCBERN CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000372150081 530891444 /nfs/dbraw/zinc/89/14/44/530891444.db2.gz MUQXCWASALCOOL-VIFPVBQESA-N 0 0 397.862 0.869 10 5 GCBERN CCS(=O)(=O)N(C)CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443703702 530928681 /nfs/dbraw/zinc/92/86/81/530928681.db2.gz DJUZHFGNXLLRDO-UHFFFAOYSA-N 0 0 379.460 0.686 10 5 GCBERN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443767228 530936532 /nfs/dbraw/zinc/93/65/32/530936532.db2.gz ZHSCDNUMZYJWBA-ZDUSSCGKSA-N 0 0 377.444 0.438 10 5 GCBERN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443767227 530936643 /nfs/dbraw/zinc/93/66/43/530936643.db2.gz ZHSCDNUMZYJWBA-CYBMUJFWSA-N 0 0 377.444 0.438 10 5 GCBERN CN(C(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000096476913 211343500 /nfs/dbraw/zinc/34/35/00/211343500.db2.gz URVRJYLSUVXWBC-GEXIGZQTSA-N 0 0 382.394 0.797 10 5 GCBERN CC[S@](=O)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737847600 639731630 /nfs/dbraw/zinc/73/16/30/639731630.db2.gz QACMERKACJGMAW-QHCPKHFHSA-N 0 0 377.444 0.100 10 5 GCBERN COc1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000759257701 640545531 /nfs/dbraw/zinc/54/55/31/640545531.db2.gz AHEPYBHYALLGRQ-UHFFFAOYSA-N 0 0 393.443 0.307 10 5 GCBERN CC[S@@](=O)CCNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805611965 641166023 /nfs/dbraw/zinc/16/60/23/641166023.db2.gz WFOQQTIOYBKLLN-XMMPIXPASA-N 0 0 375.834 0.792 10 5 GCBERN Cn1c(=O)ccn(CC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)c1=O ZINC000119621248 641248076 /nfs/dbraw/zinc/24/80/76/641248076.db2.gz BZBPWLFNVBAAEE-UHFFFAOYSA-N 0 0 383.158 0.856 10 5 GCBERN COCCN1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1=O ZINC000798176877 641577788 /nfs/dbraw/zinc/57/77/88/641577788.db2.gz ATAKSPVOWIJXDN-UHFFFAOYSA-N 0 0 387.190 0.683 10 5 GCBERN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(=O)OC ZINC000798295708 641581235 /nfs/dbraw/zinc/58/12/35/641581235.db2.gz VXWYBFXFICEQRB-QMMMGPOBSA-N 0 0 390.146 0.587 10 5 GCBERN C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1CCO ZINC000187292604 1184839095 /nfs/dbraw/zinc/83/90/95/1184839095.db2.gz RUEKJWHDGBLTEY-CYBMUJFWSA-N 0 0 392.412 0.808 10 5 GCBERN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCNC[C@@H]1c1cccnc1 ZINC000261718742 1185243455 /nfs/dbraw/zinc/24/34/55/1185243455.db2.gz FAGJUPPPQNRXGW-MRXNPFEDSA-N 0 0 397.391 0.888 10 5 GCBERN C[C@@]1(C[C@@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000510524682 1186023716 /nfs/dbraw/zinc/02/37/16/1186023716.db2.gz YTXBHFYLRKQMCS-BBRMVZONSA-N 0 0 396.425 0.877 10 5 GCBERN C[C@]1(C[C@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000510524684 1186024025 /nfs/dbraw/zinc/02/40/25/1186024025.db2.gz YTXBHFYLRKQMCS-CZUORRHYSA-N 0 0 396.425 0.877 10 5 GCBERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CN(C)CCO1 ZINC000610907174 1186257900 /nfs/dbraw/zinc/25/79/00/1186257900.db2.gz YTLNLCWWSVQOMV-OUCADQQQSA-N 0 0 380.401 0.628 10 5 GCBERN CC(=O)N1CC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582909746 1186728632 /nfs/dbraw/zinc/72/86/32/1186728632.db2.gz SXYVGLZQHHENCI-CYBMUJFWSA-N 0 0 398.441 0.248 10 5 GCBERN Cc1cc(C(=O)NCC(=O)NCCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000611830281 1187041131 /nfs/dbraw/zinc/04/11/31/1187041131.db2.gz VGHXDIIBXJGWOY-UHFFFAOYSA-N 0 0 398.441 0.175 10 5 GCBERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000365183289 1187494593 /nfs/dbraw/zinc/49/45/93/1187494593.db2.gz MPIXEVXALMZPKH-GFCCVEGCSA-N 0 0 398.445 0.514 10 5 GCBERN O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000511374787 1187579192 /nfs/dbraw/zinc/57/91/92/1187579192.db2.gz BLZPXNUZGFDEJC-QWRGUYRKSA-N 0 0 385.398 0.486 10 5 GCBERN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(CCO)CCOCC1 ZINC000613239566 1187705087 /nfs/dbraw/zinc/70/50/87/1187705087.db2.gz DRJPIQILQVUFPC-UHFFFAOYSA-N 0 0 379.369 0.368 10 5 GCBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccnc(N(C)C)n3)CC2)n1 ZINC000582079624 1187732388 /nfs/dbraw/zinc/73/23/88/1187732388.db2.gz RIYJQOWTIVDNPH-UHFFFAOYSA-N 0 0 387.400 0.959 10 5 GCBERN CCN1C(=O)[C@H]2CN(c3nc(C)cc(C(=O)OC)c3[N+](=O)[O-])CCN2C1=O ZINC000376402710 1187817310 /nfs/dbraw/zinc/81/73/10/1187817310.db2.gz KBGILIHCCNCMMF-LLVKDONJSA-N 0 0 377.357 0.558 10 5 GCBERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000472989725 1189515282 /nfs/dbraw/zinc/51/52/82/1189515282.db2.gz DCDWJPCHFBRBOT-NWDGAFQWSA-N 0 0 381.437 0.747 10 5 GCBERN C/C(=C/C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785250371 1189818272 /nfs/dbraw/zinc/81/82/72/1189818272.db2.gz MVADBDGTCYDVIU-FWLQQBITSA-N 0 0 395.437 0.760 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000434636815 1194856293 /nfs/dbraw/zinc/85/62/93/1194856293.db2.gz JHUMJSXDBLZVGH-STQMWFEESA-N 0 0 381.385 0.792 10 5 GCBERN O=C(NCCCN1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518389044 1195287754 /nfs/dbraw/zinc/28/77/54/1195287754.db2.gz DQWIXAIKXMILBD-ZDUSSCGKSA-N 0 0 380.401 0.631 10 5 GCBERN COc1cc(CCNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000550248853 1195470257 /nfs/dbraw/zinc/47/02/57/1195470257.db2.gz SWUJCIGGUPIMRY-CHWSQXEVSA-N 0 0 395.412 0.954 10 5 GCBERN CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000519719138 1195565588 /nfs/dbraw/zinc/56/55/88/1195565588.db2.gz DTBBVFCCLVGTTO-CHWSQXEVSA-N 0 0 394.384 0.156 10 5 GCBERN CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000519719192 1195565920 /nfs/dbraw/zinc/56/59/20/1195565920.db2.gz DTBBVFCCLVGTTO-STQMWFEESA-N 0 0 394.384 0.156 10 5 GCBERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844715 1195573947 /nfs/dbraw/zinc/57/39/47/1195573947.db2.gz XNUPYVOCRFIDES-CQSZACIVSA-N 0 0 389.456 0.842 10 5 GCBERN CC(=O)N1CCN(c2nc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])s2)CC1 ZINC000521059758 1195960162 /nfs/dbraw/zinc/96/01/62/1195960162.db2.gz IGXGVRBNULAHLH-UHFFFAOYSA-N 0 0 382.446 0.388 10 5 GCBERN COC(=O)c1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc([N+](=O)[O-])c1 ZINC000474779578 1196148695 /nfs/dbraw/zinc/14/86/95/1196148695.db2.gz WXQYTQOOCMFLMX-HNNXBMFYSA-N 0 0 391.380 0.891 10 5 GCBERN C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000474999957 1196207763 /nfs/dbraw/zinc/20/77/63/1196207763.db2.gz DGGXAJLKWDNQMH-QWRGUYRKSA-N 0 0 387.414 0.732 10 5 GCBERN C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000474999956 1196207906 /nfs/dbraw/zinc/20/79/06/1196207906.db2.gz DGGXAJLKWDNQMH-MNOVXSKESA-N 0 0 387.414 0.732 10 5 GCBERN COc1cc(OCC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000522923242 1196366797 /nfs/dbraw/zinc/36/67/97/1196366797.db2.gz PTTTYMNFWMTBEL-UHFFFAOYSA-N 0 0 390.400 0.753 10 5 GCBERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000440761409 1196572396 /nfs/dbraw/zinc/57/23/96/1196572396.db2.gz OAMMYHDCARJMTO-UHFFFAOYSA-N 0 0 387.400 0.613 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000526017196 1196732727 /nfs/dbraw/zinc/73/27/27/1196732727.db2.gz OTVWQGFEIMOWLF-UHFFFAOYSA-N 0 0 385.306 0.949 10 5 GCBERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026192291 1196784048 /nfs/dbraw/zinc/78/40/48/1196784048.db2.gz KWUAVHSIJZBRFL-AWEZNQCLSA-N 0 0 389.456 0.842 10 5 GCBERN Cc1nn(C)cc1CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000448794406 1196832279 /nfs/dbraw/zinc/83/22/79/1196832279.db2.gz JMGUSLGECFXWAB-UHFFFAOYSA-N 0 0 381.414 0.274 10 5 GCBERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC12COC2 ZINC000451618606 1197003365 /nfs/dbraw/zinc/00/33/65/1197003365.db2.gz FHHXKKVRPIUGGQ-NSHDSACASA-N 0 0 388.373 0.934 10 5 GCBERN CCOC(=O)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000451621061 1197003750 /nfs/dbraw/zinc/00/37/50/1197003750.db2.gz UDWAPOLOCPWVGQ-CQSZACIVSA-N 0 0 384.410 0.936 10 5 GCBERN NC(=O)COc1cccc2c1CCCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451665482 1197004926 /nfs/dbraw/zinc/00/49/26/1197004926.db2.gz QQNJIQKKJDXRNZ-ZDUSSCGKSA-N 0 0 375.385 0.469 10 5 GCBERN NC(=O)COc1cccc2c1CCCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451665477 1197005126 /nfs/dbraw/zinc/00/51/26/1197005126.db2.gz QQNJIQKKJDXRNZ-CYBMUJFWSA-N 0 0 375.385 0.469 10 5 GCBERN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000520355580 1197110198 /nfs/dbraw/zinc/11/01/98/1197110198.db2.gz ZNODTOTVQCFILC-PWSUYJOCSA-N 0 0 381.341 0.193 10 5 GCBERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC12COC2 ZINC000453792120 1197132631 /nfs/dbraw/zinc/13/26/31/1197132631.db2.gz CINJGTURZVSINY-ZDUSSCGKSA-N 0 0 391.380 0.880 10 5 GCBERN CCN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000542682086 1198996983 /nfs/dbraw/zinc/99/69/83/1198996983.db2.gz UUSPSXKEVGFWDC-LLVKDONJSA-N 0 0 398.441 0.730 10 5 GCBERN CN(C[C@@H](O)C(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000542752025 1199025393 /nfs/dbraw/zinc/02/53/93/1199025393.db2.gz ZRQJTVCQHMSWCB-LLVKDONJSA-N 0 0 399.347 0.645 10 5 GCBERN Cn1ncc2c1nc(N1CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC1)nc2N ZINC000302818783 1199928251 /nfs/dbraw/zinc/92/82/51/1199928251.db2.gz CKMZOHJCMJGYCQ-UHFFFAOYSA-N 0 0 388.413 0.878 10 5 GCBERN CN1CCN(C(=O)CC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000170999856 1200178049 /nfs/dbraw/zinc/17/80/49/1200178049.db2.gz WGZMCEFJINDRGT-UHFFFAOYSA-N 0 0 378.433 0.194 10 5 GCBERN Cc1nnc(CN2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)[nH]1 ZINC000611430805 1201237799 /nfs/dbraw/zinc/23/77/99/1201237799.db2.gz CNAKOKBTNYGQLE-MRXNPFEDSA-N 0 0 385.428 0.944 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)Oc1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC000727633297 1201361831 /nfs/dbraw/zinc/36/18/31/1201361831.db2.gz CTFARPMEVGWARO-ZDUSSCGKSA-N 0 0 375.341 0.839 10 5 GCBERN CC[S@](=O)CCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000733962554 1201635307 /nfs/dbraw/zinc/63/53/07/1201635307.db2.gz LMDPRPUVEOZUHN-MHZLTWQESA-N 0 0 396.469 0.762 10 5 GCBERN COc1ccc([C@@H]2[C@H](COC(=O)Cn3cnc([N+](=O)[O-])n3)CC(=O)N2C)cc1 ZINC000735785337 1201701791 /nfs/dbraw/zinc/70/17/91/1201701791.db2.gz MIVBNDVFQNAREX-BLLLJJGKSA-N 0 0 389.368 0.958 10 5 GCBERN CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000805611214 1205540855 /nfs/dbraw/zinc/54/08/55/1205540855.db2.gz OMBZLQZEHCNNRJ-AREMUKBSSA-N 0 0 382.442 0.128 10 5 GCBERN COCCCS(=O)(=O)N1CCC(OC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000774977737 1205935513 /nfs/dbraw/zinc/93/55/13/1205935513.db2.gz IZOQRSZSCZXKFV-UHFFFAOYSA-N 0 0 389.430 0.921 10 5 GCBERN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000612625451 530270644 /nfs/dbraw/zinc/27/06/44/530270644.db2.gz GZGQELOIOGIABR-UHFFFAOYSA-N 0 0 391.471 0.916 10 5 GCBERN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000167122344 530310241 /nfs/dbraw/zinc/31/02/41/530310241.db2.gz VVAQCUFJITUCKJ-SECBINFHSA-N 0 0 381.204 0.739 10 5 GCBERN Cc1ccc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000407975136 530344042 /nfs/dbraw/zinc/34/40/42/530344042.db2.gz WBSCWSUUHZZMLB-UHFFFAOYSA-N 0 0 377.444 0.559 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H](C)C[S@@](C)=O ZINC000541500960 530385313 /nfs/dbraw/zinc/38/53/13/530385313.db2.gz HDTBSQGCIADHSC-OSNSJERXSA-N 0 0 391.471 0.923 10 5 GCBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185154541 530587025 /nfs/dbraw/zinc/58/70/25/530587025.db2.gz XFIWQNARQVRAFW-GFCCVEGCSA-N 0 0 383.348 0.824 10 5 GCBERN CS[C@H](CO)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000533192536 530900872 /nfs/dbraw/zinc/90/08/72/530900872.db2.gz LPAIAJRBJCAZSB-GXFFZTMASA-N 0 0 391.471 0.492 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(CO)C1 ZINC000619825426 530884534 /nfs/dbraw/zinc/88/45/34/530884534.db2.gz USBGBMUODKGKEK-CQSZACIVSA-N 0 0 375.378 0.196 10 5 GCBERN COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443707022 530929011 /nfs/dbraw/zinc/92/90/11/530929011.db2.gz KVGVTYQTNSMIQA-AWEZNQCLSA-N 0 0 392.455 0.560 10 5 GCBERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132365847 530933382 /nfs/dbraw/zinc/93/33/82/530933382.db2.gz HLFDYWLQXILQSK-ZDUSSCGKSA-N 0 0 388.218 0.780 10 5 GCBERN Cc1c(Cl)cc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000494281715 530934844 /nfs/dbraw/zinc/93/48/44/530934844.db2.gz HLYNXSPLWANHFS-UHFFFAOYSA-N 0 0 397.862 0.726 10 5 GCBERN C[C@H](C[S@@](C)=O)N(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000468293621 530916963 /nfs/dbraw/zinc/91/69/63/530916963.db2.gz BAPZRGPADJSUSC-YDGUKXNOSA-N 0 0 391.471 0.489 10 5 GCBERN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1CCO ZINC000469211878 530918798 /nfs/dbraw/zinc/91/87/98/530918798.db2.gz NCTOCZYBZQXNTO-NSHDSACASA-N 0 0 390.439 0.870 10 5 GCBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000619480883 530922595 /nfs/dbraw/zinc/92/25/95/530922595.db2.gz IKNHEQCDQMHJMJ-UHFFFAOYSA-N 0 0 393.443 0.307 10 5 GCBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000608781525 530942703 /nfs/dbraw/zinc/94/27/03/530942703.db2.gz KYHREJLFEYBROL-UHFFFAOYSA-N 0 0 393.443 0.307 10 5 GCBERN Nc1nsc(N2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000443781769 531098849 /nfs/dbraw/zinc/09/88/49/531098849.db2.gz QWUAQOJYSPZHNQ-UHFFFAOYSA-N 0 0 384.443 0.681 10 5 GCBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCN1CCCS1(=O)=O ZINC000725759398 638547103 /nfs/dbraw/zinc/54/71/03/638547103.db2.gz RAFBERHSQLFUNO-UHFFFAOYSA-N 0 0 375.378 0.655 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[S@@](C)=O ZINC000735052540 640011801 /nfs/dbraw/zinc/01/18/01/640011801.db2.gz MSDFWFCBVJFFPL-UZKFNYRNSA-N 0 0 377.444 0.534 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[S@@](C)=O ZINC000735052537 640011807 /nfs/dbraw/zinc/01/18/07/640011807.db2.gz MSDFWFCBVJFFPL-MXUQEVIESA-N 0 0 377.444 0.534 10 5 GCBERN Cc1c(C(=O)N2CCO[C@@H](C(F)F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000801424464 642131340 /nfs/dbraw/zinc/13/13/40/642131340.db2.gz SLRNAWRUQXEXBG-LLVKDONJSA-N 0 0 379.341 0.657 10 5 GCBERN Cc1c(C(=O)N2CCO[C@H](C(F)F)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000801424465 642131474 /nfs/dbraw/zinc/13/14/74/642131474.db2.gz SLRNAWRUQXEXBG-NSHDSACASA-N 0 0 379.341 0.657 10 5 GCBERN CC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000477992175 1186259911 /nfs/dbraw/zinc/25/99/11/1186259911.db2.gz PPJSULRQSBMWDS-LBPRGKRZSA-N 0 0 377.401 0.473 10 5 GCBERN CO[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000472079847 1186335047 /nfs/dbraw/zinc/33/50/47/1186335047.db2.gz XEZMRURIDTUODZ-NWDGAFQWSA-N 0 0 386.430 0.740 10 5 GCBERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000472130026 1186368069 /nfs/dbraw/zinc/36/80/69/1186368069.db2.gz IZNYJQZGPBGFBA-RYUDHWBXSA-N 0 0 393.400 0.712 10 5 GCBERN CCNC(=O)N1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000472152287 1186395716 /nfs/dbraw/zinc/39/57/16/1186395716.db2.gz FPWHJCDSTXHLMV-NSHDSACASA-N 0 0 391.384 0.240 10 5 GCBERN CCNC(=O)N1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000472152279 1186396093 /nfs/dbraw/zinc/39/60/93/1186396093.db2.gz FPWHJCDSTXHLMV-LLVKDONJSA-N 0 0 391.384 0.240 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000478110739 1186506034 /nfs/dbraw/zinc/50/60/34/1186506034.db2.gz MFGQZFOMGKMAHH-SECBINFHSA-N 0 0 375.263 0.935 10 5 GCBERN O=C(NC[C@@H](O)COCC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000480089049 1186616052 /nfs/dbraw/zinc/61/60/52/1186616052.db2.gz FAFFAIJSEWJHDK-CHWSQXEVSA-N 0 0 381.385 0.696 10 5 GCBERN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cn(C)nn1 ZINC000611946428 1187148282 /nfs/dbraw/zinc/14/82/82/1187148282.db2.gz YMVAYLRMCDFTGR-CQSZACIVSA-N 0 0 392.441 0.891 10 5 GCBERN Cn1cc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nn1 ZINC000611951319 1187149945 /nfs/dbraw/zinc/14/99/45/1187149945.db2.gz XJRGJCIOBVOWFZ-UHFFFAOYSA-N 0 0 379.402 0.452 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000364781630 1187461917 /nfs/dbraw/zinc/46/19/17/1187461917.db2.gz VLCQXBPLKDKHAJ-DIFFPNOSSA-N 0 0 392.437 1.000 10 5 GCBERN O=C(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCC(F)(F)F ZINC000365115618 1187486891 /nfs/dbraw/zinc/48/68/91/1187486891.db2.gz GZJVPTPVAANDLZ-UHFFFAOYSA-N 0 0 378.311 0.816 10 5 GCBERN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCSC[C@@H]1CCO ZINC000511363021 1187558039 /nfs/dbraw/zinc/55/80/39/1187558039.db2.gz QMNFWGCIJHJSOP-LBPRGKRZSA-N 0 0 381.410 0.647 10 5 GCBERN COC(=O)C[C@@](C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000581215956 1187709969 /nfs/dbraw/zinc/70/99/69/1187709969.db2.gz GVGPHXPIXBQNQK-MRXNPFEDSA-N 0 0 377.357 0.790 10 5 GCBERN C/C(=C/C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785248944 1188068124 /nfs/dbraw/zinc/06/81/24/1188068124.db2.gz JKEFPCZRRMJMSJ-GAJOTYCWSA-N 0 0 395.437 0.808 10 5 GCBERN COc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c([N+](=O)[O-])c1 ZINC000377940168 1189379818 /nfs/dbraw/zinc/37/98/18/1189379818.db2.gz ANTRTAGXIBEVMY-CYBMUJFWSA-N 0 0 399.425 0.662 10 5 GCBERN O=C1[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000377962250 1189393647 /nfs/dbraw/zinc/39/36/47/1189393647.db2.gz WUYRHPHKXGQFTP-GFCCVEGCSA-N 0 0 387.389 0.792 10 5 GCBERN O=C1[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000377962252 1189394070 /nfs/dbraw/zinc/39/40/70/1189394070.db2.gz WUYRHPHKXGQFTP-LBPRGKRZSA-N 0 0 387.389 0.792 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000480930639 1189410606 /nfs/dbraw/zinc/41/06/06/1189410606.db2.gz FGSYTGGVRFHACF-GHMZBOCLSA-N 0 0 398.441 0.776 10 5 GCBERN CC(C)N1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1=O ZINC000513315911 1193939192 /nfs/dbraw/zinc/93/91/92/1193939192.db2.gz JVYKKJDTKBFLFA-NWDGAFQWSA-N 0 0 378.385 0.918 10 5 GCBERN Cc1ccc([C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437856205 1195168153 /nfs/dbraw/zinc/16/81/53/1195168153.db2.gz UJZVJMYZKGJBDB-BXUZGUMPSA-N 0 0 381.414 0.785 10 5 GCBERN CCOc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)OC)cc1[N+](=O)[O-] ZINC000518892591 1195342740 /nfs/dbraw/zinc/34/27/40/1195342740.db2.gz SBDCYFNJRBOKSD-UHFFFAOYSA-N 0 0 395.412 0.941 10 5 GCBERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844714 1195574210 /nfs/dbraw/zinc/57/42/10/1195574210.db2.gz XNUPYVOCRFIDES-AWEZNQCLSA-N 0 0 389.456 0.842 10 5 GCBERN CCOCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000521127092 1195966409 /nfs/dbraw/zinc/96/64/09/1195966409.db2.gz GBLRTUBNBZIDAT-AWEZNQCLSA-N 0 0 394.428 0.973 10 5 GCBERN CC[C@@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521248558 1195981806 /nfs/dbraw/zinc/98/18/06/1195981806.db2.gz WCNBODAMDJNTIR-CYBMUJFWSA-N 0 0 384.414 0.000 10 5 GCBERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000521294116 1195985408 /nfs/dbraw/zinc/98/54/08/1195985408.db2.gz LGGJPVSZDOIFSI-KGLIPLIRSA-N 0 0 393.448 0.025 10 5 GCBERN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000521294117 1195985505 /nfs/dbraw/zinc/98/55/05/1195985505.db2.gz LGGJPVSZDOIFSI-UONOGXRCSA-N 0 0 393.448 0.025 10 5 GCBERN C[C@@H]1CN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970477 1196029717 /nfs/dbraw/zinc/02/97/17/1196029717.db2.gz 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10 5 GCBERN Cc1nn(C)cc1CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000449884089 1196903348 /nfs/dbraw/zinc/90/33/48/1196903348.db2.gz AJPJPMYMWSFJHA-UHFFFAOYSA-N 0 0 381.414 0.274 10 5 GCBERN CCOC(=O)[C@H]1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC12COC2 ZINC000450560497 1196935902 /nfs/dbraw/zinc/93/59/02/1196935902.db2.gz LFXAOANMOJCKHU-GFCCVEGCSA-N 0 0 399.425 0.519 10 5 GCBERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451239723 1196982181 /nfs/dbraw/zinc/98/21/81/1196982181.db2.gz BTSNKCRQZYMZJY-RKDXNWHRSA-N 0 0 385.348 0.929 10 5 GCBERN COc1cc(CN2CC[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc(OC)c1 ZINC000531033633 1197039647 /nfs/dbraw/zinc/03/96/47/1197039647.db2.gz VJNKKOOAFNUHBR-ZDUSSCGKSA-N 0 0 390.400 0.594 10 5 GCBERN CCOC(=O)[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC12COC2 ZINC000452270173 1197049557 /nfs/dbraw/zinc/04/95/57/1197049557.db2.gz ZAZVILQDQROUAY-NSHDSACASA-N 0 0 378.337 0.975 10 5 GCBERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC12COC2 ZINC000453792915 1197133238 /nfs/dbraw/zinc/13/32/38/1197133238.db2.gz CYTBWQWUFUNJCY-CYBMUJFWSA-N 0 0 391.380 0.880 10 5 GCBERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000453806048 1197138585 /nfs/dbraw/zinc/13/85/85/1197138585.db2.gz SIPVHBYBHDXZSF-CYBMUJFWSA-N 0 0 377.353 0.571 10 5 GCBERN CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000532370213 1197150094 /nfs/dbraw/zinc/15/00/94/1197150094.db2.gz MSFDTRQQJARQMF-ZDUSSCGKSA-N 0 0 391.432 0.625 10 5 GCBERN CCn1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c([N+](=O)[O-])n1 ZINC000533631830 1197463465 /nfs/dbraw/zinc/46/34/65/1197463465.db2.gz DULYMKRLTHEMRB-GFCCVEGCSA-N 0 0 379.398 0.895 10 5 GCBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000191788608 1197471302 /nfs/dbraw/zinc/47/13/02/1197471302.db2.gz UIHYOFZUMQCQJD-UHFFFAOYSA-N 0 0 386.412 0.890 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000533833939 1197571869 /nfs/dbraw/zinc/57/18/69/1197571869.db2.gz MOEQEDATSMVNKV-UHFFFAOYSA-N 0 0 385.384 0.452 10 5 GCBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066858067 1199459417 /nfs/dbraw/zinc/45/94/17/1199459417.db2.gz OGLALFNSATUNDW-UHFFFAOYSA-N 0 0 392.460 0.502 10 5 GCBERN COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000543450552 1199751767 /nfs/dbraw/zinc/75/17/67/1199751767.db2.gz KVJUVBLUNUONDC-TZMCWYRMSA-N 0 0 392.412 0.407 10 5 GCBERN Cn1ccnc1CN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302021907 1199918751 /nfs/dbraw/zinc/91/87/51/1199918751.db2.gz IMMMKCNFPYZBGF-UHFFFAOYSA-N 0 0 380.430 0.298 10 5 GCBERN COC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000732059960 1201515702 /nfs/dbraw/zinc/51/57/02/1201515702.db2.gz XEHKXHMEMZBDIR-NSHDSACASA-N 0 0 380.357 0.703 10 5 GCBERN CO[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000733284525 1201582543 /nfs/dbraw/zinc/58/25/43/1201582543.db2.gz ZGGUTQOKCWQUKI-NSHDSACASA-N 0 0 399.347 0.957 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000744600387 1201848624 /nfs/dbraw/zinc/84/86/24/1201848624.db2.gz OHLYKYBUHYKNMQ-UHFFFAOYSA-N 0 0 382.384 0.605 10 5 GCBERN C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCOCC1 ZINC000745027957 1201862097 /nfs/dbraw/zinc/86/20/97/1201862097.db2.gz ICCORHBAJHDOMX-NWDGAFQWSA-N 0 0 395.368 0.583 10 5 GCBERN CC(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000746156326 1201902086 /nfs/dbraw/zinc/90/20/86/1201902086.db2.gz FNKRTFGZAVYOHD-NSHDSACASA-N 0 0 379.325 0.816 10 5 GCBERN CC(=O)N1CCC[C@H](COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000766463597 1201925338 /nfs/dbraw/zinc/92/53/38/1201925338.db2.gz GZHKEQSNTRZTLQ-LBPRGKRZSA-N 0 0 389.364 0.993 10 5 GCBERN CC1(C)OC[C@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 ZINC000769215447 1202050864 /nfs/dbraw/zinc/05/08/64/1202050864.db2.gz UCDMDHUPQKVFIB-LBPRGKRZSA-N 0 0 387.414 0.531 10 5 GCBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CN1CCOCC1=O ZINC000790736496 1205470925 /nfs/dbraw/zinc/47/09/25/1205470925.db2.gz HKENXWXUMVIEKI-SNVBAGLBSA-N 0 0 381.341 0.332 10 5 GCBERN CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000805611215 1205540895 /nfs/dbraw/zinc/54/08/95/1205540895.db2.gz OMBZLQZEHCNNRJ-SANMLTNESA-N 0 0 382.442 0.128 10 5 GCBERN CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000805612948 1205541213 /nfs/dbraw/zinc/54/12/13/1205541213.db2.gz GCJLUZJUVMLEPW-SANMLTNESA-N 0 0 382.442 0.128 10 5 GCBERN C[C@@H]1[C@H](OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000806067690 1205550285 /nfs/dbraw/zinc/55/02/85/1205550285.db2.gz ZCNFVBQNMFXDEN-ZWNOBZJWSA-N 0 0 385.398 0.426 10 5 GCBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000747342931 1205560972 /nfs/dbraw/zinc/56/09/72/1205560972.db2.gz IPLYDBJUUWMJRO-HNNXBMFYSA-N 0 0 387.396 0.841 10 5 GCBERN COCCCS(=O)(=O)N1CCC(OC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000774971651 1205933913 /nfs/dbraw/zinc/93/39/13/1205933913.db2.gz GYIRPTZKALPRNA-UHFFFAOYSA-N 0 0 390.418 0.165 10 5 GCBERN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000261690221 530191492 /nfs/dbraw/zinc/19/14/92/530191492.db2.gz KPJADSKEQGZFCQ-QMMMGPOBSA-N 0 0 388.393 0.771 10 5 GCBERN CN1CCO[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120073354 530256856 /nfs/dbraw/zinc/25/68/56/530256856.db2.gz NUSXQDYXJBOOFF-SECBINFHSA-N 0 0 394.247 0.966 10 5 GCBERN C[C@H](CC[S@](C)=O)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479926025 530264439 /nfs/dbraw/zinc/26/44/39/530264439.db2.gz APYKDPTWTHAWNW-JNDILOIQSA-N 0 0 391.471 0.537 10 5 GCBERN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000441492745 530790968 /nfs/dbraw/zinc/79/09/68/530790968.db2.gz RRTCLVXNXVCVNX-JTQLQIEISA-N 0 0 385.789 0.827 10 5 GCBERN CN(Cc1nnnn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028732 530908051 /nfs/dbraw/zinc/90/80/51/530908051.db2.gz OYNSDHUWEAJKKO-UHFFFAOYSA-N 0 0 391.207 0.702 10 5 GCBERN CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711500 530929754 /nfs/dbraw/zinc/92/97/54/530929754.db2.gz UYQKUUZWLJVTPE-AWEZNQCLSA-N 0 0 391.471 0.828 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(F)(F)CO ZINC000466411992 530912105 /nfs/dbraw/zinc/91/21/05/530912105.db2.gz JJZOFQKXOZZERN-MRVPVSSYSA-N 0 0 381.357 0.783 10 5 GCBERN CN(Cc1nnnn1C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000467158546 530914401 /nfs/dbraw/zinc/91/44/01/530914401.db2.gz MQQNOMDKCKCKEB-UHFFFAOYSA-N 0 0 391.207 0.702 10 5 GCBERN C[C@@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000472592602 530924365 /nfs/dbraw/zinc/92/43/65/530924365.db2.gz WGSRAWAMFXPKKU-LLVKDONJSA-N 0 0 392.459 0.192 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CCSC1 ZINC000474889942 530925851 /nfs/dbraw/zinc/92/58/51/530925851.db2.gz YEVAOKASAQCYKW-AWEZNQCLSA-N 0 0 389.455 0.247 10 5 GCBERN CS(=O)(=O)N1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443696034 530928462 /nfs/dbraw/zinc/92/84/62/530928462.db2.gz GAMACGKSUSLDOJ-UHFFFAOYSA-N 0 0 377.444 0.438 10 5 GCBERN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000608781603 530942809 /nfs/dbraw/zinc/94/28/09/530942809.db2.gz WTPRZNGHOGBLQQ-UHFFFAOYSA-N 0 0 397.862 0.952 10 5 GCBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000608781518 530942904 /nfs/dbraw/zinc/94/29/04/530942904.db2.gz JSGYWVBUNONTQF-UHFFFAOYSA-N 0 0 391.471 0.861 10 5 GCBERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173118149 639636766 /nfs/dbraw/zinc/63/67/66/639636766.db2.gz SJYWQRKVZMCMKG-ZETCQYMHSA-N 0 0 378.204 0.866 10 5 GCBERN CC[S@](=O)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000733896027 639988702 /nfs/dbraw/zinc/98/87/02/639988702.db2.gz XERQPUCSTMXLNI-DEOSSOPVSA-N 0 0 391.471 0.796 10 5 GCBERN CC[S@](=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000733965416 639990231 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C[C@]1(C[C@@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000510524685 1186023601 /nfs/dbraw/zinc/02/36/01/1186023601.db2.gz YTXBHFYLRKQMCS-XJKSGUPXSA-N 0 0 396.425 0.877 10 5 GCBERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CN(C)CCO1 ZINC000610907176 1186259082 /nfs/dbraw/zinc/25/90/82/1186259082.db2.gz YTLNLCWWSVQOMV-SGMGOOAPSA-N 0 0 380.401 0.628 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000610913589 1186259723 /nfs/dbraw/zinc/25/97/23/1186259723.db2.gz GIENMIZFDMJAMY-UONOGXRCSA-N 0 0 392.412 0.726 10 5 GCBERN CO[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000472079849 1186335004 /nfs/dbraw/zinc/33/50/04/1186335004.db2.gz XEZMRURIDTUODZ-VXGBXAGGSA-N 0 0 386.430 0.740 10 5 GCBERN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000127508835 1186509392 /nfs/dbraw/zinc/50/93/92/1186509392.db2.gz RJMIYBAJRRXSJX-AWEZNQCLSA-N 0 0 392.412 0.976 10 5 GCBERN CC(=O)N1CC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582909747 1186728871 /nfs/dbraw/zinc/72/88/71/1186728871.db2.gz SXYVGLZQHHENCI-ZDUSSCGKSA-N 0 0 398.441 0.248 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000375893604 1187475809 /nfs/dbraw/zinc/47/58/09/1187475809.db2.gz USRZNPARNGPXRT-NSHDSACASA-N 0 0 376.398 0.936 10 5 GCBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000613307292 1187716303 /nfs/dbraw/zinc/71/63/03/1187716303.db2.gz RVBJEUSIPMYCTD-UHFFFAOYSA-N 0 0 398.441 0.692 10 5 GCBERN C/C(=C/C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785249191 1189405571 /nfs/dbraw/zinc/40/55/71/1189405571.db2.gz JKEFPCZRRMJMSJ-HCYCVZQXSA-N 0 0 395.437 0.808 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc2[N+](=O)[O-])CC1 ZINC000416281162 1189476900 /nfs/dbraw/zinc/47/69/00/1189476900.db2.gz FRBMRSDRTBISRO-UJKQEGAGSA-N 0 0 376.413 0.907 10 5 GCBERN 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/nfs/dbraw/zinc/74/90/53/1196749053.db2.gz PWGUVGKLPUAFAN-GOSISDBHSA-N 0 0 398.379 0.810 10 5 GCBERN Cn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447760794 1196749091 /nfs/dbraw/zinc/74/90/91/1196749091.db2.gz PWGUVGKLPUAFAN-SFHVURJKSA-N 0 0 398.379 0.810 10 5 GCBERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC12COC2 ZINC000453792113 1197132753 /nfs/dbraw/zinc/13/27/53/1197132753.db2.gz CINJGTURZVSINY-CYBMUJFWSA-N 0 0 391.380 0.880 10 5 GCBERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC12COC2 ZINC000453796695 1197133653 /nfs/dbraw/zinc/13/36/53/1197133653.db2.gz HIGSIQNWNIBYJU-GFCCVEGCSA-N 0 0 391.380 0.880 10 5 GCBERN C[C@H](O)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000533337719 1197446329 /nfs/dbraw/zinc/44/63/29/1197446329.db2.gz HPMASSMABQNKPV-QWHCGFSZSA-N 0 0 385.442 0.883 10 5 GCBERN CC(C)[C@@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)C ZINC000729702208 1197471956 /nfs/dbraw/zinc/47/19/56/1197471956.db2.gz ZRVVILFMXIPIGI-CQSZACIVSA-N 0 0 377.353 0.847 10 5 GCBERN CC(C)[C@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)C ZINC000729702207 1197472296 /nfs/dbraw/zinc/47/22/96/1197472296.db2.gz ZRVVILFMXIPIGI-AWEZNQCLSA-N 0 0 377.353 0.847 10 5 GCBERN COc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000554064021 1199041393 /nfs/dbraw/zinc/04/13/93/1199041393.db2.gz DAAMFQOPEPBMEB-GFCCVEGCSA-N 0 0 386.430 0.604 10 5 GCBERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330801136 1199861499 /nfs/dbraw/zinc/86/14/99/1199861499.db2.gz DEVHXFDGKBGWCN-HNNXBMFYSA-N 0 0 392.437 0.801 10 5 GCBERN COc1cc(S(=O)(=O)N2CCN(Cc3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000468984952 1199866419 /nfs/dbraw/zinc/86/64/19/1199866419.db2.gz MHECSQIUWDSKLV-UHFFFAOYSA-N 0 0 397.413 0.801 10 5 GCBERN CC(C)(CO)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000611515932 1201243377 /nfs/dbraw/zinc/24/33/77/1201243377.db2.gz LNOCACYCQPHZPS-CYBMUJFWSA-N 0 0 394.428 0.708 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000732173505 1201525932 /nfs/dbraw/zinc/52/59/32/1201525932.db2.gz WZMKCZWPIIESCS-SECBINFHSA-N 0 0 378.418 0.808 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000732173506 1201526059 /nfs/dbraw/zinc/52/60/59/1201526059.db2.gz WZMKCZWPIIESCS-VIFPVBQESA-N 0 0 378.418 0.808 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(n2cncn2)C1 ZINC000732760383 1201559427 /nfs/dbraw/zinc/55/94/27/1201559427.db2.gz SWCHJZJTUUOZTO-NSHDSACASA-N 0 0 394.413 0.714 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(n2cncn2)C1 ZINC000732760382 1201559673 /nfs/dbraw/zinc/55/96/73/1201559673.db2.gz SWCHJZJTUUOZTO-LLVKDONJSA-N 0 0 394.413 0.714 10 5 GCBERN O=C(CN1CCOC[C@@H]1CCO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767595273 1201979702 /nfs/dbraw/zinc/97/97/02/1201979702.db2.gz YWZFXHDSAMBFAG-KRWDZBQOSA-N 0 0 378.429 0.327 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)OC[C@@H]3CCNC3=O)cc2[N+](=O)[O-])CC1 ZINC000774702939 1205903446 /nfs/dbraw/zinc/90/34/46/1205903446.db2.gz JCZDPXAHZVDAOZ-AWEZNQCLSA-N 0 0 390.396 0.556 10 5 GCBERN COc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000608781509 530141851 /nfs/dbraw/zinc/14/18/51/530141851.db2.gz HETVTHXHQFZZNL-UHFFFAOYSA-N 0 0 393.443 0.307 10 5 GCBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000611539144 530266758 /nfs/dbraw/zinc/26/67/58/530266758.db2.gz MEGZEOVJJUNJTH-UHFFFAOYSA-N 0 0 391.471 0.482 10 5 GCBERN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](CO)C1 ZINC000167122263 530310330 /nfs/dbraw/zinc/31/03/30/530310330.db2.gz VVAQCUFJITUCKJ-VIFPVBQESA-N 0 0 381.204 0.739 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H](C)C[S@](C)=O ZINC000541500958 530385322 /nfs/dbraw/zinc/38/53/22/530385322.db2.gz HDTBSQGCIADHSC-IFRODGDISA-N 0 0 391.471 0.923 10 5 GCBERN O=C1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1 ZINC000120319170 530458293 /nfs/dbraw/zinc/45/82/93/530458293.db2.gz HUPLZFGQHFBBHP-UHFFFAOYSA-N 0 0 378.204 0.868 10 5 GCBERN Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000544730251 530578745 /nfs/dbraw/zinc/57/87/45/530578745.db2.gz DMTJLXDMIBOWAE-LLVKDONJSA-N 0 0 388.789 0.481 10 5 GCBERN CNS(=O)(=O)C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000378253615 530903242 /nfs/dbraw/zinc/90/32/42/530903242.db2.gz RBWQGUHLTDYBHR-UHFFFAOYSA-N 0 0 377.444 0.438 10 5 GCBERN C[C@H](C[S@](C)=O)N(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000468293620 530916947 /nfs/dbraw/zinc/91/69/47/530916947.db2.gz BAPZRGPADJSUSC-JNDILOIQSA-N 0 0 391.471 0.489 10 5 GCBERN C[C@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000472585346 530923957 /nfs/dbraw/zinc/92/39/57/530923957.db2.gz KTIQUAOPUFYWRP-NSHDSACASA-N 0 0 392.459 0.192 10 5 GCBERN CCS(=O)(=O)NC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443686764 530927258 /nfs/dbraw/zinc/92/72/58/530927258.db2.gz FXZQJXMCVRNKGH-UHFFFAOYSA-N 0 0 391.471 0.828 10 5 GCBERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000133102786 530938810 /nfs/dbraw/zinc/93/88/10/530938810.db2.gz GGGWVTQVRSJWGJ-NSHDSACASA-N 0 0 388.218 0.780 10 5 GCBERN Cn1nc(Br)cc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192179449 530998614 /nfs/dbraw/zinc/99/86/14/530998614.db2.gz VQVLRLVKMWKXEW-GWCFXTLKSA-N 0 0 399.201 0.915 10 5 GCBERN Cc1sc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000613473539 530987078 /nfs/dbraw/zinc/98/70/78/530987078.db2.gz CCGLPUORPPIICR-UHFFFAOYSA-N 0 0 383.473 0.669 10 5 GCBERN CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1=O ZINC000173201237 639637566 /nfs/dbraw/zinc/63/75/66/639637566.db2.gz VICHYWMNVKNVPB-UHFFFAOYSA-N 0 0 378.204 0.820 10 5 GCBERN O=C(OCCn1cnc([N+](=O)[O-])n1)c1cnn2cc(Br)cnc12 ZINC000180020079 639951517 /nfs/dbraw/zinc/95/15/17/639951517.db2.gz OQEHFMBFIHVAAG-UHFFFAOYSA-N 0 0 382.134 0.849 10 5 GCBERN CNS(=O)(=O)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000764176303 640640524 /nfs/dbraw/zinc/64/05/24/640640524.db2.gz XTUFZIJCPFBFLM-UHFFFAOYSA-N 0 0 379.460 0.762 10 5 GCBERN CSc1ccc(S(=O)(=O)NCC(=O)OC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000766686217 640702006 /nfs/dbraw/zinc/70/20/06/640702006.db2.gz JKWUEIMPNYEMEM-VIFPVBQESA-N 0 0 378.428 0.767 10 5 GCBERN Cn1cc(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)nn1 ZINC000782983034 641260116 /nfs/dbraw/zinc/26/01/16/641260116.db2.gz HFZQDSZWDWIFKI-UHFFFAOYSA-N 0 0 376.192 0.964 10 5 GCBERN C[C@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798176243 641577920 /nfs/dbraw/zinc/57/79/20/641577920.db2.gz BIXOWASHQKXUIG-QMMMGPOBSA-N 0 0 387.190 0.418 10 5 GCBERN O=C1CC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000096715547 642064982 /nfs/dbraw/zinc/06/49/82/642064982.db2.gz CEVSJTGIIORLMM-QMMMGPOBSA-N 0 0 378.204 0.914 10 5 GCBERN C[C@](O)(CO)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000097514795 642065601 /nfs/dbraw/zinc/06/56/01/642065601.db2.gz BPSGPWUOZLAGKN-LLVKDONJSA-N 0 0 380.138 0.673 10 5 GCBERN COc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1[N+](=O)[O-] ZINC000366072381 1192742191 /nfs/dbraw/zinc/74/21/91/1192742191.db2.gz JOLLTYFIUWRIGJ-CYBMUJFWSA-N 0 0 399.425 0.662 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCN(C)C1=O ZINC000548110865 1185270606 /nfs/dbraw/zinc/27/06/06/1185270606.db2.gz LODLZEJKZMQEGL-ZJUUUORDSA-N 0 0 384.414 0.386 10 5 GCBERN CO[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000472108085 1186356123 /nfs/dbraw/zinc/35/61/23/1186356123.db2.gz LCLIGKIQABDQED-AAEUAGOBSA-N 0 0 386.430 0.740 10 5 GCBERN CO[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000472108086 1186356254 /nfs/dbraw/zinc/35/62/54/1186356254.db2.gz LCLIGKIQABDQED-DGCLKSJQSA-N 0 0 386.430 0.740 10 5 GCBERN O=C(COc1ccccc1[N+](=O)[O-])N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000582375716 1186507204 /nfs/dbraw/zinc/50/72/04/1186507204.db2.gz KOVFAFVIZMSELA-OCCSQVGLSA-N 0 0 381.360 0.771 10 5 GCBERN CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000478930780 1186544386 /nfs/dbraw/zinc/54/43/86/1186544386.db2.gz CABNJRJDWYXQJF-WCQYABFASA-N 0 0 378.385 0.872 10 5 GCBERN CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000478930778 1186544480 /nfs/dbraw/zinc/54/44/80/1186544480.db2.gz CABNJRJDWYXQJF-DGCLKSJQSA-N 0 0 378.385 0.872 10 5 GCBERN Cc1noc(CN2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000582986799 1186742474 /nfs/dbraw/zinc/74/24/74/1186742474.db2.gz CVXGMIPPCGGRJX-CQSZACIVSA-N 0 0 377.401 0.844 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364781632 1187461949 /nfs/dbraw/zinc/46/19/49/1187461949.db2.gz VLCQXBPLKDKHAJ-PIGZYNQJSA-N 0 0 392.437 1.000 10 5 GCBERN Cc1nnc(CN2CCN(S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000540878060 1187485617 /nfs/dbraw/zinc/48/56/17/1187485617.db2.gz OTENCPRODTWPIF-UHFFFAOYSA-N 0 0 380.430 0.836 10 5 GCBERN COC[C@](C)(CO)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000613534288 1187841059 /nfs/dbraw/zinc/84/10/59/1187841059.db2.gz LIWQWIUMENRRPT-KRWDZBQOSA-N 0 0 376.369 0.576 10 5 GCBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000377957874 1189388975 /nfs/dbraw/zinc/38/89/75/1189388975.db2.gz UFBKKSUZDVOIHR-ZDUSSCGKSA-N 0 0 383.426 0.961 10 5 GCBERN CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000378246227 1189452664 /nfs/dbraw/zinc/45/26/64/1189452664.db2.gz VVXITMPWADHOAJ-UHFFFAOYSA-N 0 0 384.458 0.568 10 5 GCBERN CN(CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000365834413 1189576525 /nfs/dbraw/zinc/57/65/25/1189576525.db2.gz HLPDLBKFWBEYCF-AWEZNQCLSA-N 0 0 376.413 0.927 10 5 GCBERN CN(CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000365834417 1189577740 /nfs/dbraw/zinc/57/77/40/1189577740.db2.gz HLPDLBKFWBEYCF-CQSZACIVSA-N 0 0 376.413 0.927 10 5 GCBERN CNC(=O)CCCN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512685187 1193734825 /nfs/dbraw/zinc/73/48/25/1193734825.db2.gz LJRWNTDMORXYAO-UHFFFAOYSA-N 0 0 386.430 0.248 10 5 GCBERN CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1=O ZINC000513315912 1193939244 /nfs/dbraw/zinc/93/92/44/1193939244.db2.gz JVYKKJDTKBFLFA-RYUDHWBXSA-N 0 0 378.385 0.918 10 5 GCBERN O=C1[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C1CCOCC1 ZINC000366715376 1194269825 /nfs/dbraw/zinc/26/98/25/1194269825.db2.gz CQAWZUKPQFXIGW-OAHLLOKOSA-N 0 0 383.426 0.794 10 5 GCBERN O=C(c1ccc(N[C@H]2CCCN(CCO)C2=O)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000509598588 1195331847 /nfs/dbraw/zinc/33/18/47/1195331847.db2.gz GMVXWJNBQAHVJD-HNNXBMFYSA-N 0 0 392.412 0.462 10 5 GCBERN CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000518934439 1195346988 /nfs/dbraw/zinc/34/69/88/1195346988.db2.gz WRINWJUEMKKDRX-RYUDHWBXSA-N 0 0 378.385 0.777 10 5 GCBERN CC1(C)C(=O)NCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521136758 1195964860 /nfs/dbraw/zinc/96/48/60/1195964860.db2.gz QWZGCWKHWYMXCU-UHFFFAOYSA-N 0 0 384.414 0.000 10 5 GCBERN CCOCCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000521127093 1195966318 /nfs/dbraw/zinc/96/63/18/1195966318.db2.gz GBLRTUBNBZIDAT-CQSZACIVSA-N 0 0 394.428 0.973 10 5 GCBERN C[C@H]1CN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970480 1196029694 /nfs/dbraw/zinc/02/96/94/1196029694.db2.gz LKXWAOYOBALJET-STQMWFEESA-N 0 0 380.401 0.629 10 5 GCBERN CCC(=O)N1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000474539325 1196124859 /nfs/dbraw/zinc/12/48/59/1196124859.db2.gz ISHUPWAYHZHJGL-GFCCVEGCSA-N 0 0 398.441 0.390 10 5 GCBERN CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000474995339 1196207454 /nfs/dbraw/zinc/20/74/54/1196207454.db2.gz OFUHRAFZORMKEN-VXGBXAGGSA-N 0 0 378.385 0.920 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000475394689 1196408946 /nfs/dbraw/zinc/40/89/46/1196408946.db2.gz DNRZSTNZNVQVMU-SNVBAGLBSA-N 0 0 389.290 0.761 10 5 GCBERN COC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000525105638 1196650591 /nfs/dbraw/zinc/65/05/91/1196650591.db2.gz NZKZQEUXYKCKBA-ZDUSSCGKSA-N 0 0 387.414 0.137 10 5 GCBERN CNS(=O)(=O)c1ccccc1N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450309451 1196924322 /nfs/dbraw/zinc/92/43/22/1196924322.db2.gz SZGGGBGNJFPFFD-UHFFFAOYSA-N 0 0 392.441 0.928 10 5 GCBERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451239722 1196982342 /nfs/dbraw/zinc/98/23/42/1196982342.db2.gz BTSNKCRQZYMZJY-IUCAKERBSA-N 0 0 385.348 0.929 10 5 GCBERN CCOC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451621121 1197001304 /nfs/dbraw/zinc/00/13/04/1197001304.db2.gz USPHBZGVZCRVAL-AWEZNQCLSA-N 0 0 384.410 0.936 10 5 GCBERN CCOC(=O)[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC12COC2 ZINC000452264513 1197048780 /nfs/dbraw/zinc/04/87/80/1197048780.db2.gz OJXPOXSSBZQMLK-ZDUSSCGKSA-N 0 0 380.401 0.836 10 5 GCBERN CCOC(=O)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC12COC2 ZINC000452270152 1197049534 /nfs/dbraw/zinc/04/95/34/1197049534.db2.gz ZAZVILQDQROUAY-LLVKDONJSA-N 0 0 378.337 0.975 10 5 GCBERN CCn1ccnc1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000452573531 1197069780 /nfs/dbraw/zinc/06/97/80/1197069780.db2.gz KTVXXPWRMHAZAS-UHFFFAOYSA-N 0 0 381.414 0.796 10 5 GCBERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC12COC2 ZINC000453792916 1197133194 /nfs/dbraw/zinc/13/31/94/1197133194.db2.gz CYTBWQWUFUNJCY-ZDUSSCGKSA-N 0 0 391.380 0.880 10 5 GCBERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000453806052 1197138528 /nfs/dbraw/zinc/13/85/28/1197138528.db2.gz SIPVHBYBHDXZSF-ZDUSSCGKSA-N 0 0 377.353 0.571 10 5 GCBERN CCn1nncc1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000459309706 1197365128 /nfs/dbraw/zinc/36/51/28/1197365128.db2.gz ZGHBCYKRBUESOI-UHFFFAOYSA-N 0 0 380.430 0.713 10 5 GCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000191762803 1197396398 /nfs/dbraw/zinc/39/63/98/1197396398.db2.gz QAHZATNXAHYXEV-MRXNPFEDSA-N 0 0 386.412 0.796 10 5 GCBERN COc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000729696853 1197471875 /nfs/dbraw/zinc/47/18/75/1197471875.db2.gz UKHWFZJEIYNRGK-OAHLLOKOSA-N 0 0 381.385 0.989 10 5 GCBERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330801138 1199861316 /nfs/dbraw/zinc/86/13/16/1199861316.db2.gz DEVHXFDGKBGWCN-OAHLLOKOSA-N 0 0 392.437 0.801 10 5 GCBERN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000171559206 1200224512 /nfs/dbraw/zinc/22/45/12/1200224512.db2.gz XJXHEULCAVLTSF-CYBMUJFWSA-N 0 0 378.433 0.383 10 5 GCBERN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(Cc3nccn3C(F)F)CC2)c1 ZINC000175072461 1200415627 /nfs/dbraw/zinc/41/56/27/1200415627.db2.gz KHHYWTNQHLQFQA-ZDUSSCGKSA-N 0 0 385.375 0.562 10 5 GCBERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000730306220 1201442944 /nfs/dbraw/zinc/44/29/44/1201442944.db2.gz GOBDTBPWOUXZIA-NSHDSACASA-N 0 0 397.365 0.727 10 5 GCBERN O=Cc1ccc(OCC(=O)NCCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000731624921 1201491649 /nfs/dbraw/zinc/49/16/49/1201491649.db2.gz APZYZBYWIYDVGN-UHFFFAOYSA-N 0 0 385.398 0.328 10 5 GCBERN COC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000732059959 1201515886 /nfs/dbraw/zinc/51/58/86/1201515886.db2.gz XEHKXHMEMZBDIR-LLVKDONJSA-N 0 0 380.357 0.703 10 5 GCBERN CC[S@@](=O)CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000733883059 1201611019 /nfs/dbraw/zinc/61/10/19/1201611019.db2.gz UTVFKWFUEHBKHI-AREMUKBSSA-N 0 0 378.410 0.948 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)O[C@@H]3CCNC3=O)cc2[N+](=O)[O-])CC1 ZINC000769949554 1202078265 /nfs/dbraw/zinc/07/82/65/1202078265.db2.gz DEFWYAHHEDRYPU-OAHLLOKOSA-N 0 0 376.369 0.309 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)O[C@H]3CC(=O)N(C)C3)cc2[N+](=O)[O-])CC1 ZINC000770162597 1202088398 /nfs/dbraw/zinc/08/83/98/1202088398.db2.gz 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1185895291 /nfs/dbraw/zinc/89/52/91/1185895291.db2.gz JZTCZTDSUCTSON-UHFFFAOYSA-N 0 0 398.383 0.672 10 5 GCBERN C[C@@]1(C[C@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000510524683 1186023887 /nfs/dbraw/zinc/02/38/87/1186023887.db2.gz YTXBHFYLRKQMCS-CJNGLKHVSA-N 0 0 396.425 0.877 10 5 GCBERN Nc1c(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000477829054 1186097537 /nfs/dbraw/zinc/09/75/37/1186097537.db2.gz SANCUCATYYPCQZ-UHFFFAOYSA-N 0 0 375.429 0.851 10 5 GCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262517283 1186303428 /nfs/dbraw/zinc/30/34/28/1186303428.db2.gz LORVOLVMAMTKJC-ZDUSSCGKSA-N 0 0 398.441 0.188 10 5 GCBERN COc1ccc(CC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000582054241 1186384047 /nfs/dbraw/zinc/38/40/47/1186384047.db2.gz LEYPUQILZVGJAG-UHFFFAOYSA-N 0 0 385.442 0.934 10 5 GCBERN CCNC(=O)N1CC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000472144178 1186384547 /nfs/dbraw/zinc/38/45/47/1186384547.db2.gz 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0.833 10 5 GCBERN CC(=O)c1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000561332463 1185547990 /nfs/dbraw/zinc/54/79/90/1185547990.db2.gz FVPCKLNLOYMXID-UHFFFAOYSA-N 0 0 398.441 0.496 10 5 GCBERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000548303507 1185954327 /nfs/dbraw/zinc/95/43/27/1185954327.db2.gz RSTOZZSTBZNGOQ-LBPRGKRZSA-N 0 0 387.396 1.522 10 5 GCBERN CN(CCCNC(=O)COc1ccc([N+](=O)[O-])c2ncccc12)S(C)(=O)=O ZINC000471894704 1186083269 /nfs/dbraw/zinc/08/32/69/1186083269.db2.gz ZULAYFJUYAQOMM-UHFFFAOYSA-N 0 0 396.425 0.920 10 5 GCBERN CC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000478001129 1186270376 /nfs/dbraw/zinc/27/03/76/1186270376.db2.gz MJQKPOIKFHBLRG-NSHDSACASA-N 0 0 376.369 0.399 10 5 GCBERN CC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000478001126 1186271866 /nfs/dbraw/zinc/27/18/66/1186271866.db2.gz MJQKPOIKFHBLRG-LLVKDONJSA-N 0 0 376.369 0.399 10 5 GCBERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000472130024 1186367933 /nfs/dbraw/zinc/36/79/33/1186367933.db2.gz IZNYJQZGPBGFBA-NEPJUHHUSA-N 0 0 393.400 0.712 10 5 GCBERN NC(=O)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000472184285 1186441422 /nfs/dbraw/zinc/44/14/22/1186441422.db2.gz ZEXMYBNFVCBKJZ-VXGBXAGGSA-N 0 0 378.385 0.906 10 5 GCBERN Cc1nn(C)cc1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000478222307 1186509597 /nfs/dbraw/zinc/50/95/97/1186509597.db2.gz DIUHEKCTCTULCQ-UHFFFAOYSA-N 0 0 381.414 0.622 10 5 GCBERN COC(=O)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(OC)c(Cl)c1 ZINC000472230393 1186559792 /nfs/dbraw/zinc/55/97/92/1186559792.db2.gz OFJPTKNHPGNJTB-LBPRGKRZSA-N 0 0 383.748 0.879 10 5 GCBERN Cn1cc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])nn1 ZINC000611930522 1187140083 /nfs/dbraw/zinc/14/00/83/1187140083.db2.gz TVFSGDAQEVBSKW-UHFFFAOYSA-N 0 0 395.445 0.272 10 5 GCBERN NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC[C@H](C(F)(F)F)C2)c1=O ZINC000128271385 1187146636 /nfs/dbraw/zinc/14/66/36/1187146636.db2.gz LEIFFEJZAFXECO-QMMMGPOBSA-N 0 0 376.291 0.656 10 5 GCBERN COC(=O)c1n[nH]c2c1CN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000451948981 1187249125 /nfs/dbraw/zinc/24/91/25/1187249125.db2.gz WESQPXGNJOYXHW-UHFFFAOYSA-N 0 0 380.382 0.993 10 5 GCBERN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000364989578 1187476518 /nfs/dbraw/zinc/47/65/18/1187476518.db2.gz ZLFKKARGQVDDCK-LBPRGKRZSA-N 0 0 385.398 0.087 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)N3CCNC(=O)CC3)cc2[N+](=O)[O-])CC1 ZINC000065903238 1187481448 /nfs/dbraw/zinc/48/14/48/1187481448.db2.gz DJFXVWOUKIGYNI-UHFFFAOYSA-N 0 0 389.412 0.225 10 5 GCBERN CCN1C(=O)[C@@H]2CN(c3nc(C)cc(C(=O)OC)c3[N+](=O)[O-])CCN2C1=O ZINC000376402716 1187817096 /nfs/dbraw/zinc/81/70/96/1187817096.db2.gz KBGILIHCCNCMMF-NSHDSACASA-N 0 0 377.357 0.558 10 5 GCBERN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1[N+](=O)[O-] ZINC000377939400 1189379156 /nfs/dbraw/zinc/37/91/56/1189379156.db2.gz DGIMIUSJMHDJML-CQSZACIVSA-N 0 0 383.426 0.961 10 5 GCBERN COc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000377945349 1189382429 /nfs/dbraw/zinc/38/24/29/1189382429.db2.gz JMFLAASBDRQXHN-CYBMUJFWSA-N 0 0 399.425 0.662 10 5 GCBERN O=C1[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000377961984 1189394104 /nfs/dbraw/zinc/39/41/04/1189394104.db2.gz SQJZRFSCLDDZAC-HNNXBMFYSA-N 0 0 383.426 0.794 10 5 GCBERN C/C(=C\C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785249197 1189405800 /nfs/dbraw/zinc/40/58/00/1189405800.db2.gz JKEFPCZRRMJMSJ-IEZBTEQYSA-N 0 0 395.437 0.808 10 5 GCBERN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183747186 1194440630 /nfs/dbraw/zinc/44/06/30/1194440630.db2.gz UWZQKDQVGJOFBK-UHFFFAOYSA-N 0 0 378.364 0.869 10 5 GCBERN CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517670070 1195205933 /nfs/dbraw/zinc/20/59/33/1195205933.db2.gz PUYLBKRFOVGPKA-ZDUSSCGKSA-N 0 0 380.401 0.583 10 5 GCBERN CNC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000517701608 1195208687 /nfs/dbraw/zinc/20/86/87/1195208687.db2.gz USOJWIRALOUTGG-LBPRGKRZSA-N 0 0 398.441 0.248 10 5 GCBERN O=C(NCC1(CO)CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000439614468 1195337533 /nfs/dbraw/zinc/33/75/33/1195337533.db2.gz AFJNBMGOMYCKDT-LBPRGKRZSA-N 0 0 381.385 0.698 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@H]1C1CC1 ZINC000536374507 1195751450 /nfs/dbraw/zinc/75/14/50/1195751450.db2.gz KKNRUYJXZLRFHT-HNNXBMFYSA-N 0 0 383.426 0.901 10 5 GCBERN CC[C@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521248559 1195981729 /nfs/dbraw/zinc/98/17/29/1195981729.db2.gz WCNBODAMDJNTIR-ZDUSSCGKSA-N 0 0 384.414 0.000 10 5 GCBERN CC(C)(C)c1nc(CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)no1 ZINC000522859552 1196354812 /nfs/dbraw/zinc/35/48/12/1196354812.db2.gz IMQFUCPJNWMZEI-UHFFFAOYSA-N 0 0 378.393 0.211 10 5 GCBERN Cc1noc(CN2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CC2)n1 ZINC000523160997 1196497802 /nfs/dbraw/zinc/49/78/02/1196497802.db2.gz ZIFFQEZASHNUEU-UHFFFAOYSA-N 0 0 398.383 0.825 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(n2ccnc2)C1 ZINC000523690237 1196549430 /nfs/dbraw/zinc/54/94/30/1196549430.db2.gz BMGBBROECYKZSA-UHFFFAOYSA-N 0 0 379.398 0.543 10 5 GCBERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451239720 1196982273 /nfs/dbraw/zinc/98/22/73/1196982273.db2.gz BTSNKCRQZYMZJY-BDAKNGLRSA-N 0 0 385.348 0.929 10 5 GCBERN CCOC(=O)[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451617456 1197002717 /nfs/dbraw/zinc/00/27/17/1197002717.db2.gz BBMMEPQOBHMGHM-OAHLLOKOSA-N 0 0 398.437 0.979 10 5 GCBERN CCN1C[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000453006858 1197092813 /nfs/dbraw/zinc/09/28/13/1197092813.db2.gz ZWBZEBQDMVQUDM-WDEREUQCSA-N 0 0 398.441 0.776 10 5 GCBERN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000520355581 1197110283 /nfs/dbraw/zinc/11/02/83/1197110283.db2.gz ZNODTOTVQCFILC-ZYHUDNBSSA-N 0 0 381.341 0.193 10 5 GCBERN CCn1cc(S(=O)(=O)NCCCc2nnc3ccccn32)c([N+](=O)[O-])n1 ZINC000532853541 1197416223 /nfs/dbraw/zinc/41/62/23/1197416223.db2.gz GLFOUCTZVULDQO-UHFFFAOYSA-N 0 0 379.402 0.765 10 5 GCBERN COc1ccc(C(=O)NCC(=O)O[C@H](C(=O)N(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000729696845 1197472252 /nfs/dbraw/zinc/47/22/52/1197472252.db2.gz UKHWFZJEIYNRGK-HNNXBMFYSA-N 0 0 381.385 0.989 10 5 GCBERN CN1CCN(C(=O)CC2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000066858836 1199459594 /nfs/dbraw/zinc/45/95/94/1199459594.db2.gz CNEWJBBMZGFECZ-UHFFFAOYSA-N 0 0 392.460 0.584 10 5 GCBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(CC(=O)N(C)C)CC1 ZINC000029845742 1199975539 /nfs/dbraw/zinc/97/55/39/1199975539.db2.gz ZDGADPSFEOVYGD-UHFFFAOYSA-N 0 0 377.445 0.938 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)Nc3nn(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC000598537667 1200628750 /nfs/dbraw/zinc/62/87/50/1200628750.db2.gz LOTBXNBDJHGXNH-UHFFFAOYSA-N 0 0 386.412 1.558 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cc2ccccn2n1 ZINC000552994023 1200753907 /nfs/dbraw/zinc/75/39/07/1200753907.db2.gz DCZNWRWHYSFYKT-UHFFFAOYSA-N 0 0 389.393 1.550 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@@H](CO)CC1 ZINC000611135939 1201217888 /nfs/dbraw/zinc/21/78/88/1201217888.db2.gz QTUDYKOIJNMWDI-BETUJISGSA-N 0 0 385.442 0.931 10 5 GCBERN O=C(NCCCN1CCCS1(=O)=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000611202802 1201223575 /nfs/dbraw/zinc/22/35/75/1201223575.db2.gz SLAIDQOYTCPQAL-UHFFFAOYSA-N 0 0 393.425 0.936 10 5 GCBERN CN1C(=S)N=NC1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732072818 1201517342 /nfs/dbraw/zinc/51/73/42/1201517342.db2.gz PSWPDMJWZUHQMY-QMMMGPOBSA-N 0 0 380.386 0.526 10 5 GCBERN C[C@@H]1CN(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000733559773 1201596023 /nfs/dbraw/zinc/59/60/23/1201596023.db2.gz VCSXNNVXUJSABR-NEPJUHHUSA-N 0 0 395.368 0.583 10 5 GCBERN CC[S@](=O)CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000733883060 1201611315 /nfs/dbraw/zinc/61/13/15/1201611315.db2.gz UTVFKWFUEHBKHI-SANMLTNESA-N 0 0 378.410 0.948 10 5 GCBERN CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000735815446 1201701623 /nfs/dbraw/zinc/70/16/23/1201701623.db2.gz KGTSXZODHNKNSZ-UHFFFAOYSA-N 0 0 379.369 0.841 10 5 GCBERN Cc1nnc(CN2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)[nH]1 ZINC000736153502 1201710968 /nfs/dbraw/zinc/71/09/68/1201710968.db2.gz PLVAVEPNTPARQE-UHFFFAOYSA-N 0 0 384.400 0.715 10 5 GCBERN Cn1cc(CCOC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000740957829 1201753235 /nfs/dbraw/zinc/75/32/35/1201753235.db2.gz ICJHFJVLVKBBEC-UHFFFAOYSA-N 0 0 382.398 0.783 10 5 GCBERN O=C(CN1CCOC[C@H]1CCO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767595294 1201980018 /nfs/dbraw/zinc/98/00/18/1201980018.db2.gz YWZFXHDSAMBFAG-QGZVFWFLSA-N 0 0 378.429 0.327 10 5 GCBERN O=C1[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCCN1CCO ZINC000770219226 1202089290 /nfs/dbraw/zinc/08/92/90/1202089290.db2.gz BXXUVEUYYPOTLZ-LLVKDONJSA-N 0 0 393.368 0.986 10 5 GCBERN CCN1C[C@@H](COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000771611988 1202151342 /nfs/dbraw/zinc/15/13/42/1202151342.db2.gz HRIUTKWAMHJVBV-LBPRGKRZSA-N 0 0 399.425 0.675 10 5 GCBERN COc1ccc(NC(=O)[C@H](C)OC(=O)CN2CCOCC2=O)c([N+](=O)[O-])c1 ZINC000790733217 1205470635 /nfs/dbraw/zinc/47/06/35/1205470635.db2.gz KDCJLJKGMZYSBG-JTQLQIEISA-N 0 0 381.341 0.332 10 5 GCBERN O=C(CN1CCOCC1=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000790773007 1205471233 /nfs/dbraw/zinc/47/12/33/1205471233.db2.gz OLWNEXPTKVPYFG-UHFFFAOYSA-N 0 0 378.385 0.608 10 5 GCBERN CS(=O)(=O)N(CCOC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000791337440 1205476097 /nfs/dbraw/zinc/47/60/97/1205476097.db2.gz AOCMTSMZEYRSSR-UHFFFAOYSA-N 0 0 383.386 0.191 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)OC[C@H]3CCNC3=O)cc2[N+](=O)[O-])CC1 ZINC000774702944 1205903443 /nfs/dbraw/zinc/90/34/43/1205903443.db2.gz JCZDPXAHZVDAOZ-CQSZACIVSA-N 0 0 390.396 0.556 10 5 GCBERN COCCCS(=O)(=O)N1CCC(OC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000774997722 1205937437 /nfs/dbraw/zinc/93/74/37/1205937437.db2.gz PGNZWUGSYMWIPW-UHFFFAOYSA-N 0 0 389.430 0.921 10 5 GCBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(Cl)c1 ZINC000608781500 530141601 /nfs/dbraw/zinc/14/16/01/530141601.db2.gz FERZTGVMIGYJQX-UHFFFAOYSA-N 0 0 397.862 0.952 10 5 GCBERN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(F)c1 ZINC000608781529 530141901 /nfs/dbraw/zinc/14/19/01/530141901.db2.gz LRQXNWNGOMDIHN-UHFFFAOYSA-N 0 0 381.407 0.438 10 5 GCBERN CSC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609999378 530173728 /nfs/dbraw/zinc/17/37/28/530173728.db2.gz WNEBKMVARJYYDS-CQSZACIVSA-N 0 0 391.471 0.493 10 5 GCBERN C[C@@H](C[S@@](C)=O)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541502663 530385247 /nfs/dbraw/zinc/38/52/47/530385247.db2.gz RURFGWZNHFZONN-SDWAUSNYSA-N 0 0 377.444 0.146 10 5 GCBERN CS(=O)(=O)c1ccc(NCCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 ZINC000608779268 530580017 /nfs/dbraw/zinc/58/00/17/530580017.db2.gz MPYQSKVFMPTDAM-UHFFFAOYSA-N 0 0 377.444 0.836 10 5 GCBERN CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000532776221 530899515 /nfs/dbraw/zinc/89/95/15/530899515.db2.gz FMJWOYNRDFDPFG-UHFFFAOYSA-N 0 0 379.460 0.732 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(=O)Nc2ccc(Br)cc21 ZINC000535208513 530903713 /nfs/dbraw/zinc/90/37/13/530903713.db2.gz WSZPCDPHRFWIKQ-UHFFFAOYSA-N 0 0 381.146 0.934 10 5 GCBERN O=C(c1cc([N+](=O)[O-])ccc1I)N1C[C@H](O)C[C@@H]1CO ZINC000371520026 530890154 /nfs/dbraw/zinc/89/01/54/530890154.db2.gz POUDBNCPJWDCAN-RKDXNWHRSA-N 0 0 392.149 0.767 10 5 GCBERN CCN(CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000443700105 530929284 /nfs/dbraw/zinc/92/92/84/530929284.db2.gz SMLHDTFEAAJIIN-UHFFFAOYSA-N 0 0 379.460 0.686 10 5 GCBERN CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443684733 530927175 /nfs/dbraw/zinc/92/71/75/530927175.db2.gz LWMBUYJMNPYSHG-LBPRGKRZSA-N 0 0 377.444 0.438 10 5 GCBERN COC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000610950115 530928592 /nfs/dbraw/zinc/92/85/92/530928592.db2.gz BCCQBVPEVFQQLI-QMMMGPOBSA-N 0 0 380.138 0.937 10 5 GCBERN CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000253493605 206284424 /nfs/dbraw/zinc/28/44/24/206284424.db2.gz UTKPSBYTTSNKKN-GMTAPVOTSA-N 0 0 393.400 0.067 10 5 GCBERN COc1ccc2c3c1O[C@H]1C(OC)=C[C@H](O)[C@@]4([N+](=O)[O-])[C@@H](C2=O)N(C)CC[C@]314 ZINC000504222148 533324284 /nfs/dbraw/zinc/32/42/84/533324284.db2.gz AQKNSWJRHOLFAV-OVXFOVRASA-N 0 0 388.376 0.515 10 5 GCBERN O=C1NCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000050397682 638477505 /nfs/dbraw/zinc/47/75/05/638477505.db2.gz YQFZZBYRXLESLK-QMMMGPOBSA-N 0 0 378.204 0.914 10 5 GCBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000754424071 640453912 /nfs/dbraw/zinc/45/39/12/640453912.db2.gz HIQAFUYAAJCVLN-HSZRJFAPSA-N 0 0 375.472 0.588 10 5 GCBERN CC(=O)N1CSC[C@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000754596507 640456388 /nfs/dbraw/zinc/45/63/88/640456388.db2.gz JPJOOYSGDPIWOO-ZDUSSCGKSA-N 0 0 387.439 0.406 10 5 GCBERN CN(CC(=O)N1CCOCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000773958374 640872990 /nfs/dbraw/zinc/87/29/90/640872990.db2.gz UIVFRZGYCRDRNO-UHFFFAOYSA-N 0 0 387.190 0.683 10 5 GCBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000777986561 641143094 /nfs/dbraw/zinc/14/30/94/641143094.db2.gz HATWHEOOSZNOBV-UHFFFAOYSA-N 0 0 395.434 0.746 10 5 GCBERN COC[C@@H](O)CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803398785 642179697 /nfs/dbraw/zinc/17/96/97/642179697.db2.gz QWLDSDGTPHZPOY-JTQLQIEISA-N 0 0 376.207 0.917 10 5 GCBERN CCN1C[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000452985952 1192324023 /nfs/dbraw/zinc/32/40/23/1192324023.db2.gz JMLGONBKBOWGRD-LLVKDONJSA-N 0 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ZINC000278648848 530235334 /nfs/dbraw/zinc/23/53/34/530235334.db2.gz DMDOVQPCBDCVGZ-LLVKDONJSA-N 0 0 377.138 0.626 10 5 GCBERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000180522958 530369688 /nfs/dbraw/zinc/36/96/88/530369688.db2.gz NSWWEMDHYZARGD-SNVBAGLBSA-N 0 0 388.218 0.780 10 5 GCBERN C[S@](=O)CCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000521142655 530847725 /nfs/dbraw/zinc/84/77/25/530847725.db2.gz GZZCKVNPZRFHRZ-QHCPKHFHSA-N 0 0 377.444 0.148 10 5 GCBERN CS[C@@H](CO)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000533192535 530900451 /nfs/dbraw/zinc/90/04/51/530900451.db2.gz LPAIAJRBJCAZSB-GWCFXTLKSA-N 0 0 391.471 0.492 10 5 GCBERN C[S@](=O)C1(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442919597 530886099 /nfs/dbraw/zinc/88/60/99/530886099.db2.gz GGOMTRZENXOCKZ-DEOSSOPVSA-N 0 0 389.455 0.291 10 5 GCBERN O=C(c1cc([N+](=O)[O-])ccc1I)N1C[C@@H](O)C[C@@H]1CO ZINC000371520024 530890211 /nfs/dbraw/zinc/89/02/11/530890211.db2.gz POUDBNCPJWDCAN-BDAKNGLRSA-N 0 0 392.149 0.767 10 5 GCBERN C[C@H]1CCCN1S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000472613618 530924037 /nfs/dbraw/zinc/92/40/37/530924037.db2.gz SGSCCBNQJMLORE-NSHDSACASA-N 0 0 377.444 0.687 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1(O)CCSC1 ZINC000474889943 530926116 /nfs/dbraw/zinc/92/61/16/530926116.db2.gz YEVAOKASAQCYKW-CQSZACIVSA-N 0 0 389.455 0.247 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H](O)C(F)F ZINC000475213300 530926421 /nfs/dbraw/zinc/92/64/21/530926421.db2.gz MJIMFGXQYUUBRU-YUMQZZPRSA-N 0 0 381.357 0.782 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H](O)C(F)F ZINC000475213294 530926462 /nfs/dbraw/zinc/92/64/62/530926462.db2.gz MJIMFGXQYUUBRU-HTQZYQBOSA-N 0 0 381.357 0.782 10 5 GCBERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000133102935 530938661 /nfs/dbraw/zinc/93/86/61/530938661.db2.gz GGGWVTQVRSJWGJ-LLVKDONJSA-N 0 0 388.218 0.780 10 5 GCBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000608781598 530942529 /nfs/dbraw/zinc/94/25/29/530942529.db2.gz VEVGRXKEJDNPCS-UHFFFAOYSA-N 0 0 377.444 0.607 10 5 GCBERN CCOC(=O)C1(C(=O)OCC)CC[C@H](O)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000001764943 206292353 /nfs/dbraw/zinc/29/23/53/206292353.db2.gz LOGXMILKFVJHAN-AWEZNQCLSA-N 0 0 394.380 0.943 10 5 GCBERN CN1CCO[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173080695 639636510 /nfs/dbraw/zinc/63/65/10/639636510.db2.gz IECFQEVJXPZRIC-SNVBAGLBSA-N 0 0 394.247 0.966 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[S@](C)=O ZINC000735052533 640011836 /nfs/dbraw/zinc/01/18/36/640011836.db2.gz MSDFWFCBVJFFPL-ITSYKEIMSA-N 0 0 377.444 0.534 10 5 GCBERN CC[S@](=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000754199692 640449128 /nfs/dbraw/zinc/44/91/28/640449128.db2.gz NPSRBULWTMVNEW-QHCPKHFHSA-N 0 0 377.444 0.436 10 5 GCBERN CS(=O)(=O)NCC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000796044767 641533588 /nfs/dbraw/zinc/53/35/88/641533588.db2.gz ONHGETQUSDKUFB-UHFFFAOYSA-N 0 0 383.473 0.606 10 5 GCBERN C[C@@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798176240 641577899 /nfs/dbraw/zinc/57/78/99/641577899.db2.gz BIXOWASHQKXUIG-MRVPVSSYSA-N 0 0 387.190 0.418 10 5 GCBERN COC(=O)C1(O)CN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000714494737 641627271 /nfs/dbraw/zinc/62/72/71/641627271.db2.gz UTKVBZTYOUUHFT-UHFFFAOYSA-N 0 0 378.122 0.924 10 5 GCBERN O=C(OCCN1CCOCC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000785311631 1192221481 /nfs/dbraw/zinc/22/14/81/1192221481.db2.gz OSTSCOFUNBPSPE-NSHDSACASA-N 0 0 381.341 0.194 10 5 GCBERN CN1C(=O)N[C@@H]2CN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000585785657 1192412164 /nfs/dbraw/zinc/41/21/64/1192412164.db2.gz QLWZWLXMODCZOT-KGLIPLIRSA-N 0 0 389.412 0.670 10 5 GCBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000585810032 1192422483 /nfs/dbraw/zinc/42/24/83/1192422483.db2.gz CJNUUOMZOYNXCK-DOMZBBRYSA-N 0 0 381.360 0.771 10 5 GCBERN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCNC[C@H]1c1cccnc1 ZINC000261718740 1185243508 /nfs/dbraw/zinc/24/35/08/1185243508.db2.gz FAGJUPPPQNRXGW-INIZCTEOSA-N 0 0 397.391 0.888 10 5 GCBERN COC(=O)[C@@H](C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000543844188 1185644383 /nfs/dbraw/zinc/64/43/83/1185644383.db2.gz IIGQVWCGWCCRSP-OAHLLOKOSA-N 0 0 383.426 0.853 10 5 GCBERN CS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000477260636 1185822062 /nfs/dbraw/zinc/82/20/62/1185822062.db2.gz XNPUCLQURWNIHF-NSHDSACASA-N 0 0 399.425 0.876 10 5 GCBERN Cc1cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)n2ncnc2n1 ZINC000178186556 1185927086 /nfs/dbraw/zinc/92/70/86/1185927086.db2.gz BZNVVKMFLBHINS-UHFFFAOYSA-N 0 0 382.384 0.886 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000610913590 1186259741 /nfs/dbraw/zinc/25/97/41/1186259741.db2.gz GIENMIZFDMJAMY-ZIAGYGMSSA-N 0 0 392.412 0.726 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCc2c[nH]nc2C1 ZINC000611011826 1186282433 /nfs/dbraw/zinc/28/24/33/1186282433.db2.gz GTRCPMZVMZRXNY-UHFFFAOYSA-N 0 0 379.398 0.571 10 5 GCBERN CO[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000472108088 1186356241 /nfs/dbraw/zinc/35/62/41/1186356241.db2.gz LCLIGKIQABDQED-YPMHNXCESA-N 0 0 386.430 0.740 10 5 GCBERN CO[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000472117941 1186361847 /nfs/dbraw/zinc/36/18/47/1186361847.db2.gz OIHLLTJVFVTWND-WCQYABFASA-N 0 0 386.430 0.740 10 5 GCBERN NC(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000472184282 1186441496 /nfs/dbraw/zinc/44/14/96/1186441496.db2.gz ZEXMYBNFVCBKJZ-NEPJUHHUSA-N 0 0 378.385 0.906 10 5 GCBERN CC(C)COC[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000480009044 1186608997 /nfs/dbraw/zinc/60/89/97/1186608997.db2.gz HIMPNMTYEDVDJP-QWHCGFSZSA-N 0 0 383.401 0.942 10 5 GCBERN CC(C)COC[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000480009047 1186609890 /nfs/dbraw/zinc/60/98/90/1186609890.db2.gz HIMPNMTYEDVDJP-STQMWFEESA-N 0 0 383.401 0.942 10 5 GCBERN Cc1nnc(CN2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000612103772 1186700968 /nfs/dbraw/zinc/70/09/68/1186700968.db2.gz IOPOTCNCWKYETH-CQSZACIVSA-N 0 0 376.417 0.579 10 5 GCBERN Cc1nnc(CN2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000612103834 1187251330 /nfs/dbraw/zinc/25/13/30/1187251330.db2.gz MBMUCIGNKDZNBC-UHFFFAOYSA-N 0 0 394.457 0.613 10 5 GCBERN O=C(NC[C@@H]1CCCCS1(=O)=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000544090350 1187674005 /nfs/dbraw/zinc/67/40/05/1187674005.db2.gz LOYGSLXGCFESMD-NWDGAFQWSA-N 0 0 399.425 0.876 10 5 GCBERN CCNC(=O)N1CC[C@H](NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000472989726 1189515152 /nfs/dbraw/zinc/51/51/52/1189515152.db2.gz DCDWJPCHFBRBOT-RYUDHWBXSA-N 0 0 381.437 0.747 10 5 GCBERN O=C(Cc1cccc(O)c1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000511766298 1189868692 /nfs/dbraw/zinc/86/86/92/1189868692.db2.gz ASJNLEGFTXHMLV-UHFFFAOYSA-N 0 0 379.394 0.938 10 5 GCBERN CC(C)N1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000513689966 1193980573 /nfs/dbraw/zinc/98/05/73/1193980573.db2.gz VMFCUPNRXZPZRL-CQSZACIVSA-N 0 0 398.441 0.389 10 5 GCBERN CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000519719176 1195565395 /nfs/dbraw/zinc/56/53/95/1195565395.db2.gz DTBBVFCCLVGTTO-OLZOCXBDSA-N 0 0 394.384 0.156 10 5 GCBERN C[C@H]1CN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000521970479 1196029634 /nfs/dbraw/zinc/02/96/34/1196029634.db2.gz LKXWAOYOBALJET-QWHCGFSZSA-N 0 0 380.401 0.629 10 5 GCBERN CCN(CC)C(=O)CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443705419 1196093134 /nfs/dbraw/zinc/09/31/34/1196093134.db2.gz GIRIGOSUWVEUEW-UHFFFAOYSA-N 0 0 398.485 0.911 10 5 GCBERN COC(=O)c1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc([N+](=O)[O-])c1 ZINC000474779579 1196149039 /nfs/dbraw/zinc/14/90/39/1196149039.db2.gz WXQYTQOOCMFLMX-OAHLLOKOSA-N 0 0 391.380 0.891 10 5 GCBERN CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000474994782 1196207293 /nfs/dbraw/zinc/20/72/93/1196207293.db2.gz OFUHRAFZORMKEN-NWDGAFQWSA-N 0 0 378.385 0.920 10 5 GCBERN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)CN1CCOCC1 ZINC000523393605 1196519969 /nfs/dbraw/zinc/51/99/69/1196519969.db2.gz JWPFSRZMHLQSHR-KBPBESRZSA-N 0 0 394.428 0.877 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@@H](O)C1 ZINC000525054587 1196646266 /nfs/dbraw/zinc/64/62/66/1196646266.db2.gz ZUGTZXOLKJGCIL-GXTWGEPZSA-N 0 0 385.442 0.931 10 5 GCBERN C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCCCC1=O ZINC000527009248 1196754745 /nfs/dbraw/zinc/75/47/45/1196754745.db2.gz WWPBKUSENCLJHQ-LBPRGKRZSA-N 0 0 390.396 0.837 10 5 GCBERN CCOC(=O)[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000451133578 1196974589 /nfs/dbraw/zinc/97/45/89/1196974589.db2.gz JVEKBGZFLSIVJH-OAHLLOKOSA-N 0 0 389.408 0.995 10 5 GCBERN CCOC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451621122 1197001408 /nfs/dbraw/zinc/00/14/08/1197001408.db2.gz USPHBZGVZCRVAL-CQSZACIVSA-N 0 0 384.410 0.936 10 5 GCBERN CCN1C[C@H](NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000453006854 1197093023 /nfs/dbraw/zinc/09/30/23/1197093023.db2.gz ZWBZEBQDMVQUDM-MNOVXSKESA-N 0 0 398.441 0.776 10 5 GCBERN CCn1nncc1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000459286731 1197360412 /nfs/dbraw/zinc/36/04/12/1197360412.db2.gz HQYGWDZZHXWXCC-UHFFFAOYSA-N 0 0 380.430 0.713 10 5 GCBERN O=C(NC[C@H](O)C1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000532773221 1197411333 /nfs/dbraw/zinc/41/13/33/1197411333.db2.gz UNNZVMMMFNJGTO-STQMWFEESA-N 0 0 381.385 0.696 10 5 GCBERN O=C(NC[C@@H](O)C1CCOCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000532773218 1197411527 /nfs/dbraw/zinc/41/15/27/1197411527.db2.gz UNNZVMMMFNJGTO-CHWSQXEVSA-N 0 0 381.385 0.696 10 5 GCBERN C[C@H](O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000533337720 1197446507 /nfs/dbraw/zinc/44/65/07/1197446507.db2.gz HPMASSMABQNKPV-STQMWFEESA-N 0 0 385.442 0.883 10 5 GCBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000097151584 1199917017 /nfs/dbraw/zinc/91/70/17/1199917017.db2.gz RLGNVVSEAXXEGQ-UHFFFAOYSA-N 0 0 386.408 0.905 10 5 GCBERN C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000611033598 1201213163 /nfs/dbraw/zinc/21/31/63/1201213163.db2.gz KAPBQMXIBFARQJ-XHDPSFHLSA-N 0 0 393.425 0.942 10 5 GCBERN Cc1nnc(CN2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000611072225 1201213688 /nfs/dbraw/zinc/21/36/88/1201213688.db2.gz UYOXFBTWOVSOEJ-HNNXBMFYSA-N 0 0 376.417 0.579 10 5 GCBERN CNS(=O)(=O)c1ccccc1N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000727825513 1201371985 /nfs/dbraw/zinc/37/19/85/1201371985.db2.gz QRYQPRFURCMDPL-UHFFFAOYSA-N 0 0 380.430 0.479 10 5 GCBERN CC(=O)N1CCN(c2ccc(C(=O)OC[C@H]3COCCO3)cc2[N+](=O)[O-])CC1 ZINC000770121815 1202086185 /nfs/dbraw/zinc/08/61/85/1202086185.db2.gz MJYSSHPDGNPLKF-OAHLLOKOSA-N 0 0 393.396 0.836 10 5 GCBERN CCOc1ccc(NC(=O)COC(=O)CN2CCOCC2=O)c([N+](=O)[O-])c1 ZINC000790732200 1205470649 /nfs/dbraw/zinc/47/06/49/1205470649.db2.gz BKBUGGMDLXMDII-UHFFFAOYSA-N 0 0 381.341 0.334 10 5 GCBERN CC(C)N1CC[C@@H](OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000746965237 1205473262 /nfs/dbraw/zinc/47/32/62/1205473262.db2.gz BJRUNTZMFQZMAJ-CQSZACIVSA-N 0 0 399.425 0.816 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCC(=O)N1CCC1 ZINC000746972992 1205473912 /nfs/dbraw/zinc/47/39/12/1205473912.db2.gz NIHPTSJDEJCXEE-SNVBAGLBSA-N 0 0 385.398 0.815 10 5 GCBERN Cc1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000609674971 530138785 /nfs/dbraw/zinc/13/87/85/530138785.db2.gz YSOQIFCVEPMRPZ-UHFFFAOYSA-N 0 0 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CC[S@](=O)CCNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000805616987 1205541423 /nfs/dbraw/zinc/54/14/23/1205541423.db2.gz QBJDMSJHUGUMEJ-MHZLTWQESA-N 0 0 397.453 0.849 10 5 GCBERN CCOc1ccc(C(=O)O[C@H](C)C(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000805974072 1205548142 /nfs/dbraw/zinc/54/81/42/1205548142.db2.gz PBUZDKPMKHVGAO-CYBMUJFWSA-N 0 0 395.412 0.987 10 5 GCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCS(=O)CC1 ZINC000609380207 530136797 /nfs/dbraw/zinc/13/67/97/530136797.db2.gz JKYZOJKMULSRLV-SNVBAGLBSA-N 0 0 389.455 0.630 10 5 GCBERN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)Cn2cnc([N+](=O)[O-])n2)s1 ZINC000609517712 530517314 /nfs/dbraw/zinc/51/73/14/530517314.db2.gz KZRTVZKMGBIISG-MRVPVSSYSA-N 0 0 383.415 0.491 10 5 GCBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000185152755 530587049 /nfs/dbraw/zinc/58/70/49/530587049.db2.gz KDXHSJOGBNJRTI-GFCCVEGCSA-N 0 0 383.348 0.824 10 5 GCBERN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCSC[C@H]1CCO)OCCO2 ZINC000535456708 530903813 /nfs/dbraw/zinc/90/38/13/530903813.db2.gz YEDCZAZMDGLHQH-SNVBAGLBSA-N 0 0 390.439 0.855 10 5 GCBERN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)C(F)(F)F ZINC000467634321 530915943 /nfs/dbraw/zinc/91/59/43/530915943.db2.gz HVGGCZISRPMSHB-JTQLQIEISA-N 0 0 385.320 0.303 10 5 GCBERN C[C@@H](C[S@@](C)=O)N(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000468293618 530916993 /nfs/dbraw/zinc/91/69/93/530916993.db2.gz BAPZRGPADJSUSC-APXPCNQMSA-N 0 0 391.471 0.489 10 5 GCBERN C[C@@H]1CCCN1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000472600681 530924306 /nfs/dbraw/zinc/92/43/06/530924306.db2.gz ZDCJGKWQEOHWRT-LLVKDONJSA-N 0 0 392.459 0.192 10 5 GCBERN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443791620 530938847 /nfs/dbraw/zinc/93/88/47/530938847.db2.gz RTPFTKXAPOWNCH-OCCSQVGLSA-N 0 0 391.471 0.732 10 5 GCBERN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443791621 530938993 /nfs/dbraw/zinc/93/89/93/530938993.db2.gz RTPFTKXAPOWNCH-TZMCWYRMSA-N 0 0 391.471 0.732 10 5 GCBERN Cc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000608781595 530942939 /nfs/dbraw/zinc/94/29/39/530942939.db2.gz USTJGMDSLMEZIJ-UHFFFAOYSA-N 0 0 377.444 0.607 10 5 GCBERN CCOC(=O)C1(C(=O)OCC)CC[C@@H](O)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002032514 212145149 /nfs/dbraw/zinc/14/51/49/212145149.db2.gz LOGXMILKFVJHAN-CQSZACIVSA-N 0 0 394.380 0.943 10 5 GCBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000725840275 638576517 /nfs/dbraw/zinc/57/65/17/638576517.db2.gz CJKGPPUFAIIMFZ-UHFFFAOYSA-N 0 0 381.407 0.438 10 5 GCBERN NC(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000096731282 638652537 /nfs/dbraw/zinc/65/25/37/638652537.db2.gz RVIMSKZJBFDNAM-UHFFFAOYSA-N 0 0 378.126 0.598 10 5 GCBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000754424072 640453884 /nfs/dbraw/zinc/45/38/84/640453884.db2.gz HIQAFUYAAJCVLN-QHCPKHFHSA-N 0 0 375.472 0.588 10 5 GCBERN C[C@@H]1CC(=O)NCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610241329 1184476174 /nfs/dbraw/zinc/47/61/74/1184476174.db2.gz HMNHCYIKVPJYKV-LLVKDONJSA-N 0 0 384.414 0.000 10 5 GCBERN COc1cc(OC)cc(N2CC[C@H](OC(=O)Cn3cnc([N+](=O)[O-])n3)C2=O)c1 ZINC000748123439 1184884621 /nfs/dbraw/zinc/88/46/21/1184884621.db2.gz YKTNJXKSDRVWCL-ZDUSSCGKSA-N 0 0 391.340 0.552 10 5 GCBERN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1c1cccnc1 ZINC000261605787 1185214197 /nfs/dbraw/zinc/21/41/97/1185214197.db2.gz BDENDVAPZLZQIN-QGZVFWFLSA-N 0 0 398.423 0.962 10 5 GCBERN CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccnnc3)CC2)c([N+](=O)[O-])c1 ZINC000610891332 1186251726 /nfs/dbraw/zinc/25/17/26/1186251726.db2.gz MDAKKNIZFKGSFX-UHFFFAOYSA-N 0 0 391.409 0.751 10 5 GCBERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CN(C)CCO1 ZINC000610907172 1186259145 /nfs/dbraw/zinc/25/91/45/1186259145.db2.gz YTLNLCWWSVQOMV-OBJOEFQTSA-N 0 0 380.401 0.628 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000610913587 1186260008 /nfs/dbraw/zinc/26/00/08/1186260008.db2.gz GIENMIZFDMJAMY-KBPBESRZSA-N 0 0 392.412 0.726 10 5 GCBERN CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000478008924 1186277690 /nfs/dbraw/zinc/27/76/90/1186277690.db2.gz IAKZJVFTPNVJAC-LBPRGKRZSA-N 0 0 398.441 0.342 10 5 GCBERN CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000478930782 1186544417 /nfs/dbraw/zinc/54/44/17/1186544417.db2.gz CABNJRJDWYXQJF-YPMHNXCESA-N 0 0 378.385 0.872 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000612489754 1186722090 /nfs/dbraw/zinc/72/20/90/1186722090.db2.gz QCUOZCLQVYPRHO-QWHCGFSZSA-N 0 0 378.385 0.335 10 5 GCBERN O=C([C@@H]1C[C@@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000613093761 1186750534 /nfs/dbraw/zinc/75/05/34/1186750534.db2.gz CGGOUUSCVAYFMW-DOTOQJQBSA-N 0 0 395.437 0.854 10 5 GCBERN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000102860038 1187634947 /nfs/dbraw/zinc/63/49/47/1187634947.db2.gz XWRLENDZYPJIFS-HNNXBMFYSA-N 0 0 388.428 0.936 10 5 GCBERN O=C(NC[C@@H]1CCCCS1(=O)=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000544090351 1187671944 /nfs/dbraw/zinc/67/19/44/1187671944.db2.gz LOYGSLXGCFESMD-RYUDHWBXSA-N 0 0 399.425 0.876 10 5 GCBERN O=C(NC[C@H]1CCCCS1(=O)=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000544090349 1187674053 /nfs/dbraw/zinc/67/40/53/1187674053.db2.gz LOYGSLXGCFESMD-NEPJUHHUSA-N 0 0 399.425 0.876 10 5 GCBERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174779804 1187764323 /nfs/dbraw/zinc/76/43/23/1187764323.db2.gz DPQCIKKBPCBGLF-WMLDXEAASA-N 0 0 394.476 0.217 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000102908692 1187790449 /nfs/dbraw/zinc/79/04/49/1187790449.db2.gz XUWUGCRPWRKHHN-UHFFFAOYSA-N 0 0 396.766 0.963 10 5 GCBERN Cc1nnc(CN2CCN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)CC2)[nH]1 ZINC000118682695 1188087851 /nfs/dbraw/zinc/08/78/51/1188087851.db2.gz TTZUAIKFIZYLEE-UHFFFAOYSA-N 0 0 376.421 0.569 10 5 GCBERN CCOC(=O)[C@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC12COC2 ZINC000452264512 1188124998 /nfs/dbraw/zinc/12/49/98/1188124998.db2.gz OJXPOXSSBZQMLK-CYBMUJFWSA-N 0 0 380.401 0.836 10 5 GCBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000377951554 1189384397 /nfs/dbraw/zinc/38/43/97/1189384397.db2.gz KXKSZSCKTGHFGA-ZDUSSCGKSA-N 0 0 383.426 0.961 10 5 GCBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000377963914 1189392330 /nfs/dbraw/zinc/39/23/30/1189392330.db2.gz YXUHQHNYKOFHBH-CQSZACIVSA-N 0 0 383.426 0.961 10 5 GCBERN Cc1cc(=O)c(C(=O)N2CCN3CCOC[C@H]3C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000363861795 1189534294 /nfs/dbraw/zinc/53/42/94/1189534294.db2.gz IBYSPHNRRVIWDH-CQSZACIVSA-N 0 0 399.407 0.606 10 5 GCBERN C/C(=C\C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785250372 1189818054 /nfs/dbraw/zinc/81/80/54/1189818054.db2.gz MVADBDGTCYDVIU-TZIYXEQSSA-N 0 0 395.437 0.760 10 5 GCBERN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000729399338 1193917561 /nfs/dbraw/zinc/91/75/61/1193917561.db2.gz XSDIAFBNNFPQIU-UHFFFAOYSA-N 0 0 397.436 0.197 10 5 GCBERN O=C1[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C1CCOCC1 ZINC000366715375 1194269907 /nfs/dbraw/zinc/26/99/07/1194269907.db2.gz CQAWZUKPQFXIGW-HNNXBMFYSA-N 0 0 383.426 0.794 10 5 GCBERN CN(CCN1CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517670068 1195205282 /nfs/dbraw/zinc/20/52/82/1195205282.db2.gz PUYLBKRFOVGPKA-CYBMUJFWSA-N 0 0 380.401 0.583 10 5 GCBERN COCCCNC(=O)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517665194 1195205370 /nfs/dbraw/zinc/20/53/70/1195205370.db2.gz WCCPXTQXLBDEMK-LBPRGKRZSA-N 0 0 396.400 0.404 10 5 GCBERN O=C(c1ccc(N[C@@H]2CCCN(CCO)C2=O)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000509598755 1195330857 /nfs/dbraw/zinc/33/08/57/1195330857.db2.gz GMVXWJNBQAHVJD-OAHLLOKOSA-N 0 0 392.412 0.462 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)[C@H]1CCNC1=O ZINC000536276676 1195649275 /nfs/dbraw/zinc/64/92/75/1195649275.db2.gz RDUXXESYAKJLPD-UWVGGRQHSA-N 0 0 384.414 0.386 10 5 GCBERN C[C@](O)(CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000536371423 1195751260 /nfs/dbraw/zinc/75/12/60/1195751260.db2.gz WLKRVGRBJZWINY-LBPRGKRZSA-N 0 0 399.347 0.693 10 5 GCBERN C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000536371422 1195751482 /nfs/dbraw/zinc/75/14/82/1195751482.db2.gz WLKRVGRBJZWINY-GFCCVEGCSA-N 0 0 399.347 0.693 10 5 GCBERN C[C@H]1COCCN1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000521140522 1195965304 /nfs/dbraw/zinc/96/53/04/1195965304.db2.gz ZUSDMTNWXCQEGW-STQMWFEESA-N 0 0 380.401 0.629 10 5 GCBERN 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ZINC000525054588 1196646340 /nfs/dbraw/zinc/64/63/40/1196646340.db2.gz ZUGTZXOLKJGCIL-JSGCOSHPSA-N 0 0 385.442 0.931 10 5 GCBERN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000525286166 1196663767 /nfs/dbraw/zinc/66/37/67/1196663767.db2.gz JUMBXZPPAOXKFK-GOSISDBHSA-N 0 0 386.364 0.320 10 5 GCBERN Cc1nn(C)cc1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000448807286 1196831770 /nfs/dbraw/zinc/83/17/70/1196831770.db2.gz YQQCRKGVBNXWJQ-UHFFFAOYSA-N 0 0 381.414 0.274 10 5 GCBERN CCN1C[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000452985954 1197092560 /nfs/dbraw/zinc/09/25/60/1197092560.db2.gz JMLGONBKBOWGRD-NSHDSACASA-N 0 0 384.414 0.000 10 5 GCBERN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000520355578 1197110250 /nfs/dbraw/zinc/11/02/50/1197110250.db2.gz ZNODTOTVQCFILC-CMPLNLGQSA-N 0 0 381.341 0.193 10 5 GCBERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000532370212 1197149967 /nfs/dbraw/zinc/14/99/67/1197149967.db2.gz MSFDTRQQJARQMF-CYBMUJFWSA-N 0 0 391.432 0.625 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533531371 1197456012 /nfs/dbraw/zinc/45/60/12/1197456012.db2.gz SWURFFKFAFNBIZ-ZWKOTPCHSA-N 0 0 393.440 0.909 10 5 GCBERN CC(C)[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000729699094 1197471966 /nfs/dbraw/zinc/47/19/66/1197471966.db2.gz QOSODFVUKWFGKW-INIZCTEOSA-N 0 0 379.369 0.976 10 5 GCBERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000730311332 1201443923 /nfs/dbraw/zinc/44/39/23/1201443923.db2.gz OCRFSVNIISSLPY-AWEZNQCLSA-N 0 0 379.394 0.949 10 5 GCBERN COc1ccc([C@H]2[C@@H](COC(=O)Cn3cnc([N+](=O)[O-])n3)CC(=O)N2C)cc1 ZINC000735785341 1201702017 /nfs/dbraw/zinc/70/20/17/1201702017.db2.gz MIVBNDVFQNAREX-WBMJQRKESA-N 0 0 389.368 0.958 10 5 GCBERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000737215656 1201723951 /nfs/dbraw/zinc/72/39/51/1201723951.db2.gz 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10 5 GCBERN O=C1[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCCN1CCO ZINC000770219230 1202089067 /nfs/dbraw/zinc/08/90/67/1202089067.db2.gz BXXUVEUYYPOTLZ-NSHDSACASA-N 0 0 393.368 0.986 10 5 GCBERN C[C@@H](OC(=O)CN1CCOCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000790742010 1205471125 /nfs/dbraw/zinc/47/11/25/1205471125.db2.gz QYIKDBGIPIRAIJ-SECBINFHSA-N 0 0 385.760 0.977 10 5 GCBERN O=C(CN1CCOCC1=O)OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000790770584 1205471348 /nfs/dbraw/zinc/47/13/48/1205471348.db2.gz DCLRDZQSZQTTBR-CYBMUJFWSA-N 0 0 391.380 0.601 10 5 GCBERN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC12OCCO2 ZINC000806582663 1205559674 /nfs/dbraw/zinc/55/96/74/1205559674.db2.gz UWSGBLXBTHAMSI-AWEZNQCLSA-N 0 0 399.425 0.533 10 5 GCBERN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC12OCCO2 ZINC000806632189 1205561212 /nfs/dbraw/zinc/56/12/12/1205561212.db2.gz FPZVKVWUAHOZFD-AWEZNQCLSA-N 0 0 399.425 0.533 10 5 GCBERN Cc1c(Cl)cc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 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CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000253493606 212137190 /nfs/dbraw/zinc/13/71/90/212137190.db2.gz UTKPSBYTTSNKKN-OUAUKWLOSA-N 0 0 393.400 0.067 10 5 GCBERN O=C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1 ZINC000173113412 639636674 /nfs/dbraw/zinc/63/66/74/639636674.db2.gz LITBLIVIJLGXLQ-UHFFFAOYSA-N 0 0 378.204 0.868 10 5 GCBERN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[S@](C)=O ZINC000735052542 640011737 /nfs/dbraw/zinc/01/17/37/640011737.db2.gz MSDFWFCBVJFFPL-VHMAXNEBSA-N 0 0 377.444 0.534 10 5 GCBERN CC[S@@](=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000754199691 640449062 /nfs/dbraw/zinc/44/90/62/640449062.db2.gz NPSRBULWTMVNEW-HSZRJFAPSA-N 0 0 377.444 0.436 10 5 GCBERN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(=O)OC ZINC000798295707 641581119 /nfs/dbraw/zinc/58/11/19/641581119.db2.gz VXWYBFXFICEQRB-MRVPVSSYSA-N 0 0 390.146 0.587 10 5 GCBERN Cc1nn(CCC(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000585810200 1192422562 /nfs/dbraw/zinc/42/25/62/1192422562.db2.gz VSBAKZFSOGNICV-KGLIPLIRSA-N 0 0 397.407 0.596 10 5 GCBERN CS(=O)(=O)NCC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000510181751 1184595755 /nfs/dbraw/zinc/59/57/55/1184595755.db2.gz CFHUTQAQSJYMNO-MRXNPFEDSA-N 0 0 396.469 0.961 10 5 GCBERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000135066213 1185344690 /nfs/dbraw/zinc/34/46/90/1185344690.db2.gz PUIAHUJXHXFNMJ-LBPRGKRZSA-N 0 0 383.364 0.671 10 5 GCBERN C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000458270252 1186252128 /nfs/dbraw/zinc/25/21/28/1186252128.db2.gz SEPUOHYARDIWJX-NSHDSACASA-N 0 0 381.414 0.874 10 5 GCBERN CO[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000472079846 1186334864 /nfs/dbraw/zinc/33/48/64/1186334864.db2.gz XEZMRURIDTUODZ-NEPJUHHUSA-N 0 0 386.430 0.740 10 5 GCBERN O=C(NCc1nnc2n1CCCC2)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000551809602 1186445534 /nfs/dbraw/zinc/44/55/34/1186445534.db2.gz 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ZINC000442996871 1196014695 /nfs/dbraw/zinc/01/46/95/1196014695.db2.gz HZBYQESLPCTURH-ZDUSSCGKSA-N 0 0 385.442 0.836 10 5 GCBERN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000522439751 1196120401 /nfs/dbraw/zinc/12/04/01/1196120401.db2.gz HYWXIJIAGIJXCF-LBPRGKRZSA-N 0 0 377.336 0.748 10 5 GCBERN C/C(=C\C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)CN1CCOCC1 ZINC000909545810 1196274620 /nfs/dbraw/zinc/27/46/20/1196274620.db2.gz MXCCNVHJKLSSEF-FYWRMAATSA-N 0 0 375.429 0.917 10 5 GCBERN C/C(=C/C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)CN1CCOCC1 ZINC000909545811 1196274742 /nfs/dbraw/zinc/27/47/42/1196274742.db2.gz MXCCNVHJKLSSEF-SQFISAMPSA-N 0 0 375.429 0.917 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000524967320 1196641371 /nfs/dbraw/zinc/64/13/71/1196641371.db2.gz RQHSYFIKCWCLDX-UHFFFAOYSA-N 0 0 390.381 0.979 10 5 GCBERN COC1(CO)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000446983189 1196686315 /nfs/dbraw/zinc/68/63/15/1196686315.db2.gz ONUZQQGOIVHVPO-LBPRGKRZSA-N 0 0 381.385 0.792 10 5 GCBERN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1nnc3ccccn31)OCCO2 ZINC000447202834 1196700292 /nfs/dbraw/zinc/70/02/92/1196700292.db2.gz ZSVJHRHEVHRQPZ-UHFFFAOYSA-N 0 0 391.365 0.887 10 5 GCBERN CC(=O)[C@@](C)(O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000450221992 1196920823 /nfs/dbraw/zinc/92/08/23/1196920823.db2.gz YJPPQULGPZIQTO-INIZCTEOSA-N 0 0 385.442 0.460 10 5 GCBERN CCOC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC12COC2 ZINC000450560513 1196935959 /nfs/dbraw/zinc/93/59/59/1196935959.db2.gz LFXAOANMOJCKHU-LBPRGKRZSA-N 0 0 399.425 0.519 10 5 GCBERN CCN1C[C@@H](NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1=O ZINC000453006856 1197092827 /nfs/dbraw/zinc/09/28/27/1197092827.db2.gz ZWBZEBQDMVQUDM-QWRGUYRKSA-N 0 0 398.441 0.776 10 5 GCBERN C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520332087 1197108050 /nfs/dbraw/zinc/10/80/50/1197108050.db2.gz ZGSRZDXKSNCTFG-NEPJUHHUSA-N 0 0 378.385 0.920 10 5 GCBERN C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520332089 1197108244 /nfs/dbraw/zinc/10/82/44/1197108244.db2.gz ZGSRZDXKSNCTFG-RYUDHWBXSA-N 0 0 378.385 0.920 10 5 GCBERN COC(=O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000470062945 1197242818 /nfs/dbraw/zinc/24/28/18/1197242818.db2.gz TVRIEBJGMBGYOD-BXUZGUMPSA-N 0 0 399.425 0.673 10 5 GCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000191763286 1197396074 /nfs/dbraw/zinc/39/60/74/1197396074.db2.gz KUZPLTYEHZSJFC-UHFFFAOYSA-N 0 0 385.388 0.450 10 5 GCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000191762788 1197396350 /nfs/dbraw/zinc/39/63/50/1197396350.db2.gz QAHZATNXAHYXEV-INIZCTEOSA-N 0 0 386.412 0.796 10 5 GCBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533531368 1197455999 /nfs/dbraw/zinc/45/59/99/1197455999.db2.gz SWURFFKFAFNBIZ-MSOLQXFVSA-N 0 0 393.440 0.909 10 5 GCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000191841891 1197485702 /nfs/dbraw/zinc/48/57/02/1197485702.db2.gz DQYMIXPPRKTRAB-ZDUSSCGKSA-N 0 0 378.433 0.580 10 5 GCBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000273371868 1198952779 /nfs/dbraw/zinc/95/27/79/1198952779.db2.gz LDLBBBNFKVAVMM-TZIYXEQSSA-N 0 0 395.437 0.760 10 5 GCBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000055314432 1199644348 /nfs/dbraw/zinc/64/43/48/1199644348.db2.gz DSPONJDUIDVQIK-UHFFFAOYSA-N 0 0 382.384 0.937 10 5 GCBERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000171559201 1200224710 /nfs/dbraw/zinc/22/47/10/1200224710.db2.gz XJXHEULCAVLTSF-ZDUSSCGKSA-N 0 0 378.433 0.383 10 5 GCBERN Cn1cc(N2CCC[C@@H](NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000173467771 1200340859 /nfs/dbraw/zinc/34/08/59/1200340859.db2.gz HFTRRUUPRQPTSO-CQSZACIVSA-N 0 0 386.412 0.843 10 5 GCBERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174779786 1200406029 /nfs/dbraw/zinc/40/60/29/1200406029.db2.gz DPQCIKKBPCBGLF-YOEHRIQHSA-N 0 0 394.476 0.217 10 5 GCBERN COc1ccc(CN2CCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2=O)cc1 ZINC000466739249 1201116560 /nfs/dbraw/zinc/11/65/60/1201116560.db2.gz IUOGWGABMYENPK-UHFFFAOYSA-N 0 0 388.384 0.456 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000611156581 1201219772 /nfs/dbraw/zinc/21/97/72/1201219772.db2.gz BSFAFHSPEGXKNI-AWEZNQCLSA-N 0 0 394.819 0.718 10 5 GCBERN Cc1nnc(CN2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)[nH]1 ZINC000611431329 1201236877 /nfs/dbraw/zinc/23/68/77/1201236877.db2.gz QAMRPZXJMFERCC-UHFFFAOYSA-N 0 0 385.428 0.728 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)Oc1ccc(O[C@@H]2CCCCNC2=O)cc1 ZINC000727633296 1201361255 /nfs/dbraw/zinc/36/12/55/1201361255.db2.gz CTFARPMEVGWARO-CYBMUJFWSA-N 0 0 375.341 0.839 10 5 GCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000731633824 1201491079 /nfs/dbraw/zinc/49/10/79/1201491079.db2.gz PJIHSUHAUUZOLC-UHFFFAOYSA-N 0 0 378.418 0.808 10 5 GCBERN CO[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000733284524 1201582391 /nfs/dbraw/zinc/58/23/91/1201582391.db2.gz ZGGUTQOKCWQUKI-LLVKDONJSA-N 0 0 399.347 0.957 10 5 GCBERN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCN1CCCCC1=O ZINC000771599605 1202150163 /nfs/dbraw/zinc/15/01/63/1202150163.db2.gz LGAGCALYVUSLGG-UHFFFAOYSA-N 0 0 399.425 0.819 10 5 GCBERN CON(C)C(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000788008578 1205411410 /nfs/dbraw/zinc/41/14/10/1205411410.db2.gz FANNPQWPUSBURP-UHFFFAOYSA-N 0 0 386.430 0.311 10 5 GCBERN CN(C(=O)COC(=O)[C@](C)(O)Cn1ccccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000790670766 1205468476 /nfs/dbraw/zinc/46/84/76/1205468476.db2.gz AWJZFENJRAAXJI-GOSISDBHSA-N 0 0 389.364 0.714 10 5 GCBERN C[C@H](OC(=O)CN1CCOCC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000790734166 1205470847 /nfs/dbraw/zinc/47/08/47/1205470847.db2.gz SPOBXCDGBJAASU-VIFPVBQESA-N 0 0 385.760 0.977 10 5 GCBERN CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000805617061 1205541320 /nfs/dbraw/zinc/54/13/20/1205541320.db2.gz ANPXRAGKZLWENZ-SANMLTNESA-N 0 0 382.442 0.128 10 5 GCBERN O=C(Cc1ccc(F)cn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000806582096 1205559740 /nfs/dbraw/zinc/55/97/40/1205559740.db2.gz GRKHMPCAJRXJFD-UHFFFAOYSA-N 0 0 382.373 0.766 10 5 GCBERN O=C(Cc1ccc(F)cn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000806632808 1205561277 /nfs/dbraw/zinc/56/12/77/1205561277.db2.gz SJCLLWAHQBPASI-UHFFFAOYSA-N 0 0 382.373 0.766 10 5 GCBERN C[C@@H]1CCOCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000775417713 1206048409 /nfs/dbraw/zinc/04/84/09/1206048409.db2.gz FDIPKIBTKYAIKW-GFCCVEGCSA-N 0 0 386.430 0.694 10 5 GCBERN